data_2kuc_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 2kuc _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.724 0 CA-C-O 120.961 0.201 . . . . 0.0 112.912 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.488 HG12 ' HA ' ' A' ' 53' ' ' ALA . 45.8 mt -63.17 126.11 20.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.231 -0.485 . . . . 0.0 110.966 -178.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -130.51 111.34 12.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 176.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -80.34 138.14 36.67 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.446 -176.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -86.21 163.08 17.99 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 175.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -126.8 111.61 14.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.914 0.388 . . . . 0.0 111.225 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.405 HD11 HD13 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -143.19 164.96 28.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.399 175.187 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.421 ' HB2' ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -70.54 166.13 21.21 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -174.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.64 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 17.5 t80 -53.34 -54.18 48.01 Favored Pre-proline 0 CA--C 1.543 0.705 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.107 -175.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.64 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 32.3 Cg_exo -58.8 -42.81 49.35 Favored 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 121.912 1.741 . . . . 0.0 112.19 178.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -62.87 -35.98 81.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.096 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.69 -54.57 40.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.278 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.79 -43.97 97.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.279 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -61.85 -44.2 97.31 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.291 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.546 ' HA ' HG11 ' A' ' 22' ' ' VAL . 22.1 tpt180 -68.32 -38.41 81.54 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.117 -177.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.548 ' HA ' HG23 ' A' ' 61' ' ' VAL . . . -57.27 -48.25 79.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.373 . . . . 0.0 110.368 176.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -63.93 -44.0 94.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.612 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.546 HG11 ' HA ' ' A' ' 19' ' ' ARG . 12.5 p -78.52 -35.52 19.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -174.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -78.62 -37.43 42.24 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 122.102 -0.374 . . . . 0.0 111.054 -176.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -174.02 -79.71 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.689 0 CA-C-O 121.335 0.588 . . . . 0.0 110.956 175.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.908 ' HG2' ' HG ' ' A' ' 26' ' ' LEU . 38.5 ttmt 176.51 151.03 0.15 Allowed 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.365 -173.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.908 ' HG ' ' HG2' ' A' ' 25' ' ' LYS . 89.0 mt 72.52 142.05 0.06 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.848 0.832 . . . . 0.0 112.241 170.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.663 ' HB3' HG23 ' A' ' 90' ' ' ILE . 21.5 tp -123.24 122.27 37.97 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.026 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -96.92 101.1 12.62 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 176.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.711 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 41.5 t -93.12 105.88 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.184 -173.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -85.52 103.05 14.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.887 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.514 ' HG ' HG13 ' A' ' 29' ' ' VAL . 62.9 m -99.55 119.53 38.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.736 178.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -123.91 157.05 35.15 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.717 -177.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.591 HG21 ' H ' ' A' ' 35' ' ' TRP . 93.6 m -98.67 148.98 23.28 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.425 176.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 m -53.47 -21.19 5.75 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.443 0.64 . . . . 0.0 111.4 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.591 ' H ' HG21 ' A' ' 33' ' ' THR . 55.0 t-105 -54.02 -33.67 57.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.097 -0.956 . . . . 0.0 112.109 178.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 35' ' ' TRP . 41.1 t 69.7 -89.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.528 -173.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.427 ' O ' ' HG2' ' A' ' 40' ' ' LYS . . . 54.37 -115.51 5.34 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.449 -0.405 . . . . 0.0 113.302 176.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.96 -24.68 40.54 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.622 2.881 . . . . 0.0 113.641 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.1 t -52.69 -41.97 64.37 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.863 0.364 . . . . 0.0 111.342 -178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 37' ' ' GLY . 17.3 ptmt -79.0 -23.24 44.53 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.384 -178.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 41' ' ' ARG . 11.4 ttm180 -64.68 -49.38 71.18 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.6 mp -62.32 -37.95 87.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.856 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.584 ' O ' ' HB2' ' A' ' 47' ' ' PHE . 7.6 t -62.39 -29.29 70.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.571 177.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -73.26 -56.54 4.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.432 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.0 t -89.59 -52.5 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -171.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.3 t -71.25 -37.22 65.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.876 0.37 . . . . 0.0 111.275 -173.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.584 ' HB2' ' O ' ' A' ' 43' ' ' SER . 4.6 m-30 -80.68 32.5 0.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.296 -177.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -127.63 -16.83 4.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.02 0.438 . . . . 0.0 110.145 174.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -88.71 121.98 31.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.496 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 m -69.41 -37.38 77.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.735 -177.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.2 tt -68.82 -50.95 45.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.575 0.226 . . . . 0.0 110.56 -175.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.2 t -61.61 -40.15 85.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.086 0.469 . . . . 0.0 110.306 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.488 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -64.42 -47.42 79.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.024 177.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -58.91 -45.49 90.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.197 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -58.28 -43.88 88.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.432 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -69.56 -52.27 27.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.184 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -66.15 -30.78 71.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 112.099 -173.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -89.03 -44.03 10.68 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.966 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -83.22 -9.78 58.95 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -173.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -140.6 169.74 17.08 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.548 HG23 ' HA ' ' A' ' 20' ' ' ALA . 89.4 t -104.89 121.25 56.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 169.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -85.94 142.44 28.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.151 0.5 . . . . 0.0 111.691 -171.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.405 HD13 HD11 ' A' ' 11' ' ' LEU . 39.0 tp -150.1 126.09 10.54 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.642 179.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -91.23 116.43 28.81 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 171.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.404 ' HE1' HD11 ' A' ' 75' ' ' LEU . 16.8 tpt -102.86 132.66 48.9 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 120.919 0.39 . . . . 0.0 110.545 -175.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.424 ' HB3' ' O ' ' A' ' 69' ' ' LYS . 0.8 OUTLIER -73.28 157.03 37.84 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.182 178.715 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 73.6 mmm -128.27 -5.91 5.41 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.077 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -115.94 -32.83 5.29 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.55 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 66' ' ' ASP . 60.7 mttm -121.26 176.86 5.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.623 175.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 60.47 48.94 83.68 Favored Glycine 0 CA--C 1.518 0.263 0 CA-C-N 115.91 -0.586 . . . . 0.0 114.042 171.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 64.5 19.07 11.68 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 122.714 0.406 . . . . 0.0 111.516 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.44 -31.79 71.2 Favored Glycine 0 C--N 1.331 0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.883 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.7 m -54.76 -35.71 34.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -69.6 -47.47 63.41 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.178 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.404 HD11 ' HE1' ' A' ' 65' ' ' MET . 61.7 mt -66.81 -35.45 80.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.065 0.46 . . . . 0.0 110.115 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -58.9 -49.32 78.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.862 178.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -76.99 -37.78 54.46 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.226 -175.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -80.45 -34.05 36.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.109 -172.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.629 ' HD2' ' HD3' ' A' ' 99' ' ' ARG . 69.0 m-85 -97.51 1.93 49.6 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.71 0.291 . . . . 0.0 111.626 -177.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 63.55 76.51 0.27 Allowed Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.738 -0.664 . . . . 0.0 113.866 172.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.0 p -77.42 143.27 13.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -126.79 -32.13 2.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.737 0.303 . . . . 0.0 111.273 -178.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.21 -148.12 0.34 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.301 -179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.691 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 24.5 m-85 -91.95 -53.73 0.27 Allowed Pre-proline 0 CA--C 1.539 0.522 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -172.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.691 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 29.2 Cg_endo -96.09 123.79 0.28 Allowed 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.827 2.351 . . . . 0.0 113.02 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.0 m -134.19 126.26 29.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.304 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.67 HD11 HD22 ' A' ' 100' ' ' LEU . 90.7 mt -107.49 124.43 49.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.995 0.426 . . . . 0.0 110.661 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.711 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 78.1 mt -109.86 120.43 42.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.783 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -97.54 106.67 19.03 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 175.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.663 HG23 ' HB3' ' A' ' 27' ' ' LEU . 16.8 tt -125.71 139.94 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-O 121.173 0.511 . . . . 0.0 111.134 -172.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -77.89 168.1 20.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.019 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.4 m -67.5 -19.05 65.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.105 0.478 . . . . 0.0 110.699 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.5 m -72.05 -14.64 61.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.953 177.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 92.62 19.16 38.66 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.851 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -114.35 137.39 51.87 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.549 ' HA ' ' HA ' ' A' ' 90' ' ' ILE . 26.9 m -86.91 144.6 8.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.97 0.414 . . . . 0.0 110.356 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 34.7 m -97.71 -23.56 4.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.232 177.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -165.14 136.25 4.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.152 -177.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.629 ' HD3' ' HD2' ' A' ' 79' ' ' TYR . 52.0 mtm180 -108.78 114.18 27.75 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.89 174.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.67 HD22 HD11 ' A' ' 87' ' ' LEU . 53.9 tp -91.82 107.03 18.92 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.138 0.494 . . . . 0.0 109.916 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 59.1 t -97.46 103.45 14.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.13 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.8 173.49 17.36 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.655 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -134.92 132.03 37.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.031 0.444 . . . . 0.0 110.275 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -119.89 -178.52 3.66 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.79 157.64 34.29 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.104 -0.239 . . . . 0.0 110.473 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -43.89 -56.26 7.77 Favored Pre-proline 0 N--CA 1.474 0.725 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -171.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.04 -39.45 80.2 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 121.982 1.788 . . . . 0.0 112.273 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -69.7 -39.56 76.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.344 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.506 ' O ' HG23 ' A' ' 113' ' ' VAL . 0.8 OUTLIER -62.52 -50.37 71.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.765 179.643 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.1 tp -58.41 -37.4 75.28 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.222 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -64.31 -48.1 76.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.489 178.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -60.62 -34.48 74.31 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.248 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 109' ' ' LEU . 82.8 t -60.41 -50.69 79.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.622 177.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -65.25 -45.38 84.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.218 -178.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.66 -25.82 68.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.302 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -79.02 -40.95 15.13 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.588 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 48.6 t -80.61 -40.57 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.078 0.466 . . . . 0.0 110.639 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.873 -179.713 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.618 0 CA-C-O 120.953 0.196 . . . . 0.0 113.158 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.577 HG12 ' HA ' ' A' ' 47' ' ' PHE . 20.4 mm -86.48 138.64 18.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.675 0.274 . . . . 0.0 110.339 -178.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -116.41 109.79 17.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.072 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.785 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 46.7 m-85 -100.83 146.39 27.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.14 0.495 . . . . 0.0 111.496 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.439 ' O ' HD11 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -108.94 147.29 32.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.335 173.867 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -121.12 94.98 4.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.994 0.426 . . . . 0.0 111.021 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -126.61 167.46 15.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.357 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.8 m -75.82 159.64 30.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.988 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.576 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 91.3 t80 -52.13 -53.05 56.41 Favored Pre-proline 0 CA--C 1.539 0.529 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.576 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 71.6 Cg_exo -48.48 -49.88 13.55 Favored 'Trans proline' 0 C--N 1.358 1.068 0 C-N-CA 122.203 1.936 . . . . 0.0 112.806 176.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -61.24 -46.9 88.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.377 178.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.5 -42.89 79.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.795 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.471 ' HA ' HD22 ' A' ' 27' ' ' LEU . 39.0 tp -67.92 -53.31 27.42 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.536 0.684 . . . . 0.0 110.207 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -56.84 -49.51 75.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.638 -1.165 . . . . 0.0 111.648 -177.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -65.63 -39.77 91.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.755 -177.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.41 -33.76 76.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.672 0.272 . . . . 0.0 111.017 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.07 -40.69 82.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.661 0.267 . . . . 0.0 110.788 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.649 HG22 ' HG3' ' A' ' 23' ' ' GLU . 30.4 m -86.17 -34.71 8.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -175.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.649 ' HG3' HG22 ' A' ' 22' ' ' VAL . 45.7 mt-10 -108.51 -36.97 6.07 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -173.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.542 ' CG ' ' H ' ' A' ' 25' ' ' LYS . 10.3 t70 -118.2 -148.44 0.42 Allowed 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.201 -0.6 . . . . 0.0 112.532 -164.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.542 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 43.9 tttm -126.53 -51.57 1.49 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.687 -165.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.448 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 50.1 mt -148.95 157.45 43.43 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.522 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.471 HD22 ' HA ' ' A' ' 17' ' ' LEU . 8.6 mp -87.26 111.17 20.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.234 176.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.463 ' HB3' ' O ' ' A' ' 61' ' ' VAL . 82.8 t80 -110.06 114.78 28.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 178.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.808 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 98.4 t -107.36 121.19 59.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.864 0.364 . . . . 0.0 111.133 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -87.83 108.97 19.41 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.026 173.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.485 ' SG ' ' HG2' ' A' ' 67' ' ' MET . 51.5 t -115.04 113.77 24.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.145 -178.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.485 ' CE1' ' HE3' ' A' ' 64' ' ' LYS . 21.4 p90 -123.68 159.85 28.46 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.312 -0.403 . . . . 0.0 109.917 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 m -99.3 155.1 17.68 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.8 m -62.12 -16.57 53.42 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -174.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -60.68 132.98 55.59 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.954 0.407 . . . . 0.0 111.19 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.9 m -80.61 107.37 13.36 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.712 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.43 ' HA3' ' HD2' ' A' ' 38' ' ' PRO . . . -154.26 -123.46 0.89 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.419 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.538 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 9.5 Cg_endo -52.32 -36.88 70.05 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.403 2.735 . . . . 0.0 112.633 -178.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.6 p -54.24 -37.25 64.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.585 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -74.01 -37.23 64.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.773 -177.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -70.94 -40.31 72.1 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 38' ' ' PRO . 94.3 mt -56.6 -42.67 79.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.964 176.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.533 ' O ' ' HB2' ' A' ' 47' ' ' PHE . 50.1 m -59.55 -28.61 67.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.667 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -84.7 -47.71 10.18 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -177.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.507 HG13 HG23 ' A' ' 46' ' ' VAL . 7.4 p -95.64 -53.15 8.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.127 0.489 . . . . 0.0 112.103 -174.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.521 HG11 HG12 ' A' ' 52' ' ' VAL . 58.0 t -67.47 -42.38 87.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.194 -177.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.577 ' HA ' HG12 ' A' ' 6' ' ' ILE . 3.6 m-85 -81.58 29.26 0.38 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.175 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -134.73 -28.82 1.2 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 176.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -72.85 130.98 41.66 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.374 -176.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.7 m -69.81 -40.31 76.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.486 -177.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.94 -51.27 68.79 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.817 0.342 . . . . 0.0 110.666 -177.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.521 HG12 HG11 ' A' ' 46' ' ' VAL . 93.7 t -60.07 -45.79 95.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.908 178.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.485 ' HA ' HD12 ' A' ' 6' ' ' ILE . . . -60.03 -51.17 70.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.471 -178.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -63.99 -39.02 93.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.75 -176.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -61.84 -58.68 7.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.907 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -61.7 -46.24 90.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.79 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -71.05 -49.01 49.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -172.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -79.47 -24.3 42.47 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -170.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -95.55 -25.23 16.27 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 89.7 m-85 -142.9 163.68 32.14 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 121.18 -0.208 . . . . 0.0 111.074 -177.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.463 ' O ' ' HB3' ' A' ' 28' ' ' PHE . 85.4 t -78.78 118.16 25.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.506 176.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.576 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.8 OUTLIER -88.89 94.94 10.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.157 178.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.711 HD22 HG23 ' A' ' 29' ' ' VAL . 52.9 tp -96.9 125.93 41.68 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.965 0.412 . . . . 0.0 110.18 -178.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.785 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 48.2 tptt -100.62 122.03 42.6 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.511 ' HE1' HD23 ' A' ' 63' ' ' LEU . 26.7 mtt -132.39 158.09 42.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.543 0.687 . . . . 0.0 111.824 -178.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.87 156.26 17.63 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.143 175.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.485 ' HG2' ' SG ' ' A' ' 31' ' ' CYS . 66.1 mtp -78.42 -19.4 53.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.945 0.402 . . . . 0.0 110.388 -179.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 45.1 mt-10 -141.83 132.88 26.1 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 176.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.69 ' HZ3' ' HB2' ' A' ' 69' ' ' LYS . 10.4 mtmp? 76.56 111.85 0.07 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.406 1.066 . . . . 0.0 110.356 -170.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.17 46.27 1.37 Allowed Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.916 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 66.11 14.07 9.44 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.329 0.652 . . . . 0.0 111.56 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.44 -35.91 59.5 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.503 -177.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.3 p -60.71 -36.69 72.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 120.69 0.281 . . . . 0.0 110.955 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.53 ' O ' ' HB2' ' A' ' 78' ' ' LYS . 0.3 OUTLIER -66.67 -49.99 64.38 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.799 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.9 mt -60.02 -38.14 81.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.56 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -61.14 -50.03 74.86 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.863 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' A' ' 77' ' ' LYS . 3.6 tppp? -72.07 -28.16 63.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.505 0.669 . . . . 0.0 110.151 -178.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 28.8 tttp -65.92 -49.31 68.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.602 -175.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -105.22 -27.68 11.41 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -173.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.85 51.32 15.5 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.483 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.7 m -77.56 156.84 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.51 0.195 . . . . 0.0 110.996 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -143.01 18.3 1.95 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.822 0.344 . . . . 0.0 111.651 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.09 -178.21 3.58 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.879 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 95.2 m-85 -92.53 -58.19 0.23 Allowed Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.607 176.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.879 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 38.2 Cg_endo -98.45 119.89 0.13 Allowed 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 122.621 2.214 . . . . 0.0 112.129 175.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.2 m -128.48 139.86 52.12 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.761 0.315 . . . . 0.0 111.005 -177.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.515 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 72.8 mt -108.86 113.07 25.69 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.808 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 87.6 mt -98.94 120.33 39.21 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.501 -177.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -110.66 127.67 55.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.558 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 66.7 mt -131.58 136.41 57.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -95.44 178.53 5.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.494 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.3 m -63.14 -19.01 64.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.288 -173.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.0 m -74.96 -11.34 60.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.671 0.272 . . . . 0.0 111.129 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 86.16 22.65 47.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.422 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -127.43 154.58 44.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.887 0.375 . . . . 0.0 110.833 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.3 p -91.7 127.83 43.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.799 174.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 47.5 t -92.95 -48.04 13.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.093 0.473 . . . . 0.0 110.073 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -134.73 136.19 42.49 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.837 -178.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -102.1 124.72 48.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.021 177.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.515 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 2.8 tm? -104.22 107.56 18.53 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 19.1 m -103.21 136.0 38.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.666 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.41 119.05 0.94 Allowed Glycine 0 N--CA 1.443 -0.891 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.281 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.426 ' H ' ' HG2' ' A' ' 85' ' ' PRO . . . -101.43 146.47 27.58 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.334 -0.433 . . . . 0.0 110.176 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.432 ' HG3' ' HG3' ' A' ' 108' ' ' GLU . 26.3 mm-40 -117.83 -174.71 2.69 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.28 -178.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.27 158.58 13.92 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 170.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.589 ' HB1' ' HD3' ' A' ' 107' ' ' PRO . . . -44.26 -57.19 6.7 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -171.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.589 ' HD3' ' HB1' ' A' ' 106' ' ' ALA . 25.2 Cg_exo -63.44 -40.16 32.8 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.658 1.572 . . . . 0.0 112.851 -177.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.432 ' HG3' ' HG3' ' A' ' 104' ' ' GLU . 45.2 tp10 -70.46 -38.81 74.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.523 -177.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 37.0 tp -64.36 -45.77 86.31 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 120.987 0.422 . . . . 0.0 110.001 177.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 69.6 mt -52.49 -38.73 60.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.343 176.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 107' ' ' PRO . 34.7 mmtp -61.5 -48.33 81.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.411 177.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.436 ' HB3' HD23 ' A' ' 100' ' ' LEU . 54.9 mtpt -64.67 -40.12 94.86 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.321 -178.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 89.4 t -67.18 -47.58 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.674 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -63.79 -38.95 93.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.573 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.485 HD11 ' O ' ' A' ' 115' ' ' LEU . 2.7 tm? -77.6 -22.64 50.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.486 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -86.24 -38.15 8.61 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.42 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.1 t -82.44 -47.7 18.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.825 0.312 . . . . 0.0 110.92 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.424 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.052 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.3 mt -85.85 121.43 37.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.923 0.392 . . . . 0.0 110.363 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.52 90.87 4.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.057 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -83.92 126.95 33.49 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.235 174.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.43 ' O ' HD11 ' A' ' 63' ' ' LEU . 53.6 mtp180 -92.98 160.33 14.93 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 177.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -125.44 93.87 3.98 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 176.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.8 mt -125.63 161.51 27.06 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.421 -175.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.5 m -69.88 162.81 27.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.748 176.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.628 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 57.5 t80 -57.84 -52.77 71.98 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.062 -177.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.628 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 31.8 Cg_exo -55.51 -45.74 37.39 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 121.934 1.756 . . . . 0.0 112.225 175.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.27 -54.22 49.29 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.878 -177.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.08 -49.24 78.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.652 -176.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.505 ' CD2' ' HG ' ' A' ' 27' ' ' LEU . 41.4 mt -61.37 -53.59 54.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.212 -177.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -65.27 -42.27 93.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.727 -173.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -60.89 -39.53 89.6 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-O 120.992 0.425 . . . . 0.0 110.053 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.945 ' HA ' ' HB2' ' A' ' 24' ' ' ASP . . . -69.37 -42.19 75.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.638 178.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -58.98 -35.4 73.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.257 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.6 t -88.04 -54.95 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -105.11 -33.79 8.16 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -171.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.945 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 23.4 m-20 -100.38 -156.97 0.58 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.821 -171.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -120.19 -90.45 0.58 Allowed 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.553 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.9 mt -103.9 162.27 13.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.99 0.424 . . . . 0.0 111.711 -172.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.539 ' HB2' ' HB ' ' A' ' 90' ' ' ILE . 3.5 mm? -97.36 123.7 41.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.688 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -113.67 106.55 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 174.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.833 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 21.9 t -100.88 112.03 32.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.479 -176.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -93.94 100.66 12.78 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.425 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.5 m -106.67 113.39 26.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.455 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -125.27 158.76 33.32 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.122 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.6 p -99.37 157.98 16.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.384 0.611 . . . . 0.0 111.127 177.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.2 p -90.5 16.56 8.71 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.283 -0.872 . . . . 0.0 110.449 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -55.55 -68.67 0.18 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.977 -1.01 . . . . 0.0 112.271 -172.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.7 p -121.89 -73.44 0.65 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.679 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.618 ' H ' ' HD3' ' A' ' 38' ' ' PRO . . . 171.67 49.64 0.04 OUTLIER Glycine 0 CA--C 1.523 0.567 0 C-N-CA 120.728 -0.748 . . . . 0.0 113.922 174.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.618 ' HD3' ' H ' ' A' ' 37' ' ' GLY . 23.8 Cg_exo -64.73 -34.43 50.56 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.105 1.87 . . . . 0.0 111.804 176.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.5 t -65.65 -31.95 73.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.155 0.502 . . . . 0.0 109.886 177.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -72.73 -31.31 64.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.057 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -61.18 -48.93 79.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.169 173.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.3 mt -66.36 -21.22 66.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.76 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.573 ' HA ' ' HB2' ' A' ' 47' ' ' PHE . 37.2 t -65.51 -28.84 69.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.176 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.469 ' HG3' HG23 ' A' ' 45' ' ' VAL . 27.3 tptp -58.81 -66.47 0.49 Allowed 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.927 0.344 . . . . 0.0 111.927 -177.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.469 HG23 ' HG3' ' A' ' 44' ' ' LYS . 58.5 t -108.21 -50.29 7.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.645 0.26 . . . . 0.0 111.314 -176.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.5 t -55.2 -50.62 62.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.517 -172.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.573 ' HB2' ' HA ' ' A' ' 43' ' ' SER . 20.4 m-30 -85.52 17.58 3.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.76 -176.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -130.82 -0.51 4.26 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -86.32 122.21 29.97 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.3 m -70.13 -42.71 72.23 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -177.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.6 tp -65.78 -47.59 74.65 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.814 0.34 . . . . 0.0 111.147 -175.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.4 t -66.77 -35.43 74.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.693 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.12 -44.9 94.54 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 178.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -58.82 -43.05 90.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.406 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -61.36 -45.84 92.72 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.487 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -65.95 -47.01 76.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.409 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -31.09 70.87 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.204 0.526 . . . . 0.0 111.196 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -76.62 -41.97 44.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.172 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -85.84 -41.73 14.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -174.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -132.06 174.95 9.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.051 0.453 . . . . 0.0 110.691 -173.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 22.1 m -95.05 125.07 47.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 166.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -85.23 98.81 10.71 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.154 0.502 . . . . 0.0 110.532 -177.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.43 HD11 ' O ' ' A' ' 9' ' ' ARG . 44.0 tp -116.82 125.46 51.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.577 -177.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -94.29 131.97 39.36 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 174.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.0 tpt -133.1 116.02 15.8 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.831 0.348 . . . . 0.0 110.413 -178.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -70.55 141.1 51.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.121 0.486 . . . . 0.0 110.002 176.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.405 ' HE2' HG22 ' A' ' 81' ' ' VAL . 10.7 ttp -94.55 6.09 49.87 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.979 -172.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -120.86 8.14 10.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.686 176.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -124.85 150.93 45.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.151 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 57.84 -128.85 48.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.645 178.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.472 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 0.9 OUTLIER -92.86 9.9 33.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.896 0.379 . . . . 0.0 110.255 176.521 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.463 ' HA2' HD11 ' A' ' 75' ' ' LEU . . . -61.39 -33.52 84.9 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.338 178.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.41 ' O ' ' HB3' ' A' ' 76' ' ' ARG . 7.8 p -65.89 -36.82 78.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.261 0.553 . . . . 0.0 109.809 176.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 23.4 mm-40 -65.84 -43.65 87.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.822 175.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.479 HD22 ' HD2' ' A' ' 78' ' ' LYS . 75.3 mt -57.63 -36.12 71.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.412 176.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.41 ' HB3' ' O ' ' A' ' 73' ' ' VAL . 14.3 ttm180 -57.85 -42.82 85.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.251 177.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -76.55 -28.58 56.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.056 177.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.479 ' HD2' HD22 ' A' ' 75' ' ' LEU . 68.0 mttm -74.72 -48.67 24.56 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -175.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -100.88 0.6 38.79 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -171.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.08 70.51 0.95 Allowed Glycine 0 C--N 1.33 0.24 0 O-C-N 123.418 0.449 . . . . 0.0 113.178 174.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.405 HG22 ' HE2' ' A' ' 67' ' ' MET . 13.5 p -60.39 137.7 22.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.109 0.48 . . . . 0.0 110.797 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -122.01 -48.41 2.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.56 178.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.13 -159.39 0.6 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.313 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.854 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 44.7 m-85 -91.62 -54.27 0.27 Allowed Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.773 -0.194 . . . . 0.0 110.561 178.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.854 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 4.1 Cg_endo -89.88 140.42 3.46 Favored 'Trans proline' 0 N--CA 1.451 -0.989 0 C-N-CA 122.239 1.959 . . . . 0.0 111.652 173.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 47.2 m -133.77 110.38 9.76 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.995 0.426 . . . . 0.0 110.359 177.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.533 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 6.9 mp -83.9 122.04 28.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.656 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.833 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 79.7 mt -114.42 135.66 53.85 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -178.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.463 ' CZ ' HG22 ' A' ' 113' ' ' VAL . 53.2 m-85 -121.25 109.35 14.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.052 -177.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.539 ' HB ' ' HB2' ' A' ' 27' ' ' LEU . 68.8 mt -108.66 131.71 58.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.896 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -94.69 177.66 5.84 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 m -60.3 -30.0 69.2 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.002 0.43 . . . . 0.0 111.173 -177.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.2 t -81.82 -11.93 58.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.468 -176.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.64 25.4 62.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.311 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -99.91 150.67 22.16 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 44.0 t -78.17 101.4 3.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.95 0.405 . . . . 0.0 110.184 -178.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.2 t -77.33 -57.27 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.601 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -146.03 143.35 29.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.145 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -120.84 130.17 53.84 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 175.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.533 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 4.2 tt -129.36 110.88 12.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.817 0.342 . . . . 0.0 110.205 -174.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.6 m -103.9 120.62 54.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.123 0.487 . . . . 0.0 110.466 176.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.12 160.81 13.67 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.759 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -135.78 132.8 37.21 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.945 0.402 . . . . 0.0 110.653 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.558 ' HG2' ' HD2' ' A' ' 112' ' ' LYS . 69.4 mm-40 -94.45 -175.71 3.71 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.328 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.536 ' HB3' ' HD2' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -67.87 165.13 18.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.958 173.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.541 ' HB1' ' HD3' ' A' ' 107' ' ' PRO . . . -47.66 -52.24 39.49 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -177.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.541 ' HD3' ' HB1' ' A' ' 106' ' ' ALA . 33.0 Cg_exo -61.01 -45.73 18.61 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 121.775 1.65 . . . . 0.0 112.389 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.59 -26.32 60.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.64 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.4 ' O ' HG13 ' A' ' 113' ' ' VAL . 0.3 OUTLIER -55.79 -46.31 78.0 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.472 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.9 tp -66.84 -41.82 86.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.135 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -69.21 -41.38 77.15 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.474 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.558 ' HD2' ' HG2' ' A' ' 104' ' ' GLU . 28.9 tttp -63.32 -44.48 94.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.75 -176.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.463 HG22 ' CZ ' ' A' ' 89' ' ' PHE . 7.9 p -70.71 -38.63 73.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.633 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.417 ' HZ2' ' CD ' ' A' ' 118' ' ' GLU . 22.3 tptp -64.73 -52.66 55.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.809 0.338 . . . . 0.0 110.592 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 43.7 tp -68.7 -26.56 65.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -76.62 -47.01 10.59 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.647 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 90.4 t -72.3 -35.66 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.62 0.248 . . . . 0.0 111.014 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.417 ' CD ' ' HZ2' ' A' ' 114' ' ' LYS . 51.7 mt-10 . . . . . 0 C--N 1.326 -0.434 0 CA-C-O 120.92 0.391 . . . . 0.0 110.755 178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.972 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.53 HG12 ' HA ' ' A' ' 53' ' ' ALA . 49.5 mt -59.7 119.29 3.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.022 0.439 . . . . 0.0 111.342 -174.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.55 94.9 5.06 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.231 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -71.56 129.86 39.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.451 177.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 9' ' ' ARG . 16.6 mmm-85 -78.11 136.75 37.93 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.913 -176.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -101.73 96.17 6.91 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 172.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.6 mt -135.74 167.48 21.07 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.734 -175.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.1 t -79.29 163.5 24.87 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 174.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.486 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 50.9 t80 -54.63 -60.15 8.58 Favored Pre-proline 0 CA--C 1.544 0.714 0 O-C-N 123.265 0.353 . . . . 0.0 111.778 -176.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.486 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 34.3 Cg_endo -65.34 -36.59 34.73 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 121.845 1.697 . . . . 0.0 112.156 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.566 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 34.4 mm-40 -58.52 -54.67 44.43 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.069 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.21 89.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.4 -174.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.6 tp -58.24 -53.47 57.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.296 0.57 . . . . 0.0 110.382 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.632 ' HB2' ' HZ1' ' A' ' 18' ' ' LYS . 2.7 ttmp? -62.18 -39.93 94.33 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.546 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 24.6 mmt180 -58.81 -41.53 86.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.736 177.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.568 ' HA ' HG21 ' A' ' 61' ' ' VAL . . . -62.55 -44.54 96.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.232 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -56.27 -40.95 75.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.345 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 85.3 t -90.17 -50.72 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -83.63 -38.31 21.73 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -167.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.518 ' HB2' ' CG2' ' A' ' 61' ' ' VAL . 54.9 m-20 -140.23 -127.41 0.11 Allowed 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.299 -173.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.62 ' HG2' ' HG ' ' A' ' 26' ' ' LEU . 37.6 tttp -156.66 127.82 6.93 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.491 -174.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.62 ' HG ' ' HG2' ' A' ' 25' ' ' LYS . 96.9 mt 66.91 142.68 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.834 0.826 . . . . 0.0 112.221 174.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.515 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 35.7 tp -104.46 108.15 19.44 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.63 177.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.415 ' CZ ' HD22 ' A' ' 87' ' ' LEU . 64.2 t80 -90.56 101.56 14.3 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.727 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 47.9 t -95.7 116.84 38.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.805 -176.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -100.95 107.09 18.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.844 175.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.493 ' HB2' ' HB ' ' A' ' 86' ' ' THR . 80.4 m -94.78 114.08 25.92 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.357 176.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -119.34 154.87 32.89 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.187 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 51.9 p -98.35 171.87 7.91 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.8 m -70.81 -23.29 62.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.954 0.407 . . . . 0.0 110.354 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -69.22 122.41 18.78 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.184 175.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.2 p -99.04 121.85 41.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.178 0.514 . . . . 0.0 111.104 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.24 -87.25 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.521 177.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.412 ' HB2' ' HG3' ' A' ' 85' ' ' PRO . 48.7 Cg_exo -55.07 -40.71 84.46 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 123.18 2.587 . . . . 0.0 112.854 177.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.495 ' SG ' ' HB3' ' A' ' 85' ' ' PRO . 56.8 m -70.34 -21.91 62.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.598 0.237 . . . . 0.0 110.916 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -70.45 -29.22 65.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.181 0.515 . . . . 0.0 109.947 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -60.12 -39.2 85.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.022 174.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.528 HD12 HD22 ' A' ' 109' ' ' LEU . 12.2 tp -67.68 -40.26 84.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.891 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.599 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 15.6 m -61.92 -38.98 90.45 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.207 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -56.17 -57.83 10.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.25 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.465 HG22 HG22 ' A' ' 46' ' ' VAL . 5.3 m -97.4 -45.41 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -172.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.465 HG22 HG22 ' A' ' 45' ' ' VAL . 36.1 t -72.5 -28.93 29.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.071 0.462 . . . . 0.0 111.323 -171.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.599 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 34.2 m-85 -95.55 21.35 8.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.861 0.363 . . . . 0.0 110.736 178.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -134.45 -44.16 0.76 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.047 -177.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.88 130.14 42.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.989 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.0 m -66.73 -45.61 78.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.078 -176.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.6 mt -70.74 -43.51 68.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.373 -174.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.8 t -61.79 -50.03 81.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.471 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.53 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -59.99 -39.91 87.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' A' ' 58' ' ' ARG . 23.3 t70 -64.42 -48.18 76.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.182 -179.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -61.71 -51.73 67.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.35 -176.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -67.94 -30.72 70.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.865 -175.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -70.76 -34.35 71.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.75 0.31 . . . . 0.0 111.159 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 54' ' ' ASP . 58.2 mtt180 -83.12 -44.11 15.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.708 -178.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -88.16 -10.03 51.22 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -170.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.488 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 69.4 m-85 -142.6 146.3 34.41 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.568 HG21 ' HA ' ' A' ' 20' ' ' ALA . 89.0 t -91.47 110.1 22.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 168.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -86.23 116.08 24.19 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.661 -174.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 54.8 tp -113.7 126.25 55.03 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.472 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -103.79 133.38 48.87 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 176.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 53.2 ttm -147.25 140.83 25.56 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.95 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -75.55 156.25 35.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.711 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.476 ' HE2' HG23 ' A' ' 81' ' ' VAL . 79.8 mtp -98.99 -3.53 34.7 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 172.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 47.3 mt-10 -127.06 111.11 13.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.326 173.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 68' ' ' GLU . 97.6 mttt 73.4 160.99 0.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.3 1.0 . . . . 0.0 110.778 -173.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 78.56 28.57 54.97 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.885 -178.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 69.29 16.17 8.43 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.405 0.682 . . . . 0.0 111.352 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.82 -32.05 82.87 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.193 178.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.3 p -57.61 -35.5 50.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-O 120.696 0.284 . . . . 0.0 111.297 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -64.07 -51.65 63.05 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.037 0.446 . . . . 0.0 110.428 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.9 mp -71.24 -31.72 67.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.308 -176.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.633 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 37.3 ttt180 -59.22 -42.25 90.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.254 0.55 . . . . 0.0 110.291 177.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -77.17 -30.08 54.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.804 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -76.07 -49.68 16.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.979 -172.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -98.36 -16.64 19.23 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.992 -174.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.52 110.86 1.49 Allowed Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 176.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.633 ' HB ' ' HG3' ' A' ' 76' ' ' ARG . 8.4 p -71.83 134.32 30.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.149 0.5 . . . . 0.0 110.31 176.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 54.5 m80 -136.1 -70.35 0.47 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.972 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.36 -160.15 0.76 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.003 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.657 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 42.3 m-85 -90.86 -48.04 0.36 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.554 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.657 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 84.8 Cg_endo -89.28 143.35 4.64 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 121.871 1.714 . . . . 0.0 111.597 170.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.493 ' HB ' ' HB2' ' A' ' 31' ' ' CYS . 62.6 m -148.55 114.26 5.69 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.03 0.443 . . . . 0.0 110.608 177.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.646 HD11 HD21 ' A' ' 100' ' ' LEU . 82.0 mt -93.66 116.5 29.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.074 -178.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.727 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 81.9 mt -105.48 127.6 53.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.908 176.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -109.17 106.62 16.57 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.284 -177.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.515 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 45.4 mm -113.68 118.84 59.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.737 -175.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -93.23 -174.08 3.43 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 176.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.1 p -56.34 -27.56 56.21 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -177.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.8 m -66.25 -27.47 67.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.726 0.298 . . . . 0.0 111.764 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 91.02 -11.13 73.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.766 -176.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -88.29 167.83 13.22 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 18.3 m -93.22 124.31 45.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.057 0.456 . . . . 0.0 111.261 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.42 HG11 ' HD1' ' A' ' 98' ' ' TYR . 3.4 p -74.42 -43.31 49.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 174.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.527 ' OH ' ' HA ' ' A' ' 113' ' ' VAL . 18.3 p90 -161.72 165.07 28.62 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 172.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -125.15 140.64 52.69 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.646 HD21 HD11 ' A' ' 87' ' ' LEU . 48.0 tp -125.66 125.42 43.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.902 0.382 . . . . 0.0 110.819 -176.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 60.5 t -102.73 107.86 22.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.289 177.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 119.64 148.13 8.16 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.121 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -124.93 114.86 19.71 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -95.92 -175.53 3.44 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.676 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.83 166.31 9.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.326 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.544 ' HB2' ' HD3' ' A' ' 107' ' ' PRO . . . -52.13 -51.79 68.34 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -172.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.544 ' HD3' ' HB2' ' A' ' 106' ' ' ALA . 37.2 Cg_exo -58.21 -45.14 33.22 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.787 1.658 . . . . 0.0 112.534 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 11.0 mm-40 -69.39 -40.29 77.46 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 -179.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.528 HD22 HD12 ' A' ' 42' ' ' LEU . 47.7 tp -52.63 -55.62 21.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.465 178.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 54.8 tp -56.35 -39.89 73.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.099 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -65.37 -42.91 92.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.844 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 108' ' ' GLU . 13.7 mmmm -65.99 -27.56 68.23 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 120.626 0.25 . . . . 0.0 111.294 -177.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.527 ' HA ' ' OH ' ' A' ' 98' ' ' TYR . 76.2 t -71.13 -52.92 23.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.363 . . . . 0.0 110.45 177.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 118' ' ' GLU . 96.2 mttt -66.25 -44.94 82.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.438 -178.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 30.1 tp -67.33 -20.66 65.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.05 -177.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -89.66 -40.7 5.9 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.844 -0.693 . . . . 0.0 113.134 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 22.0 m -66.31 -35.85 75.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.91 0.355 . . . . 0.0 111.901 -176.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 114' ' ' LYS . 9.9 pt-20 . . . . . 0 N--CA 1.447 -0.597 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 175.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.587 0 CA-C-O 121.03 0.239 . . . . 0.0 113.457 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.1 mt -57.86 123.55 9.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.163 -0.519 . . . . 0.0 111.507 -177.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -113.17 114.39 26.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.454 177.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.651 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 83.9 m-85 -84.14 145.4 28.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.53 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -94.69 128.64 41.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.239 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -82.72 94.42 7.6 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 174.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.6 tp -139.12 167.92 20.98 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.234 -175.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.8 p -83.23 168.8 16.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.093 0.473 . . . . 0.0 110.363 176.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.488 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 81.3 t80 -63.22 -53.44 53.88 Favored Pre-proline 0 C--N 1.317 -0.82 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.886 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 20.8 Cg_endo -61.16 -39.58 57.75 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.113 1.876 . . . . 0.0 112.592 -177.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.4 -54.71 32.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.353 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.54 -41.08 84.74 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.073 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.6 tp -58.03 -50.38 73.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.17 0.51 . . . . 0.0 110.528 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -56.85 -43.14 80.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.711 178.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -58.68 -49.01 79.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.491 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.48 -30.98 71.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.728 0.299 . . . . 0.0 111.347 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -64.17 -46.7 82.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.125 0.488 . . . . 0.0 110.568 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.7 t -77.88 -39.26 25.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.327 -177.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.669 ' HG2' ' HE2' ' A' ' 25' ' ' LYS . 21.0 tt0 -85.31 -0.08 53.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.054 0.454 . . . . 0.0 110.778 -176.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.6 t70 61.49 52.17 3.82 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.989 170.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.669 ' HE2' ' HG2' ' A' ' 23' ' ' GLU . 56.2 mtmt -144.56 -178.65 6.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.898 179.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' A' ' 91' ' ' ASN . 3.0 mm? -100.9 157.61 16.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.929 0.395 . . . . 0.0 111.142 -175.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.578 ' HB2' ' HB ' ' A' ' 90' ' ' ILE . 3.3 mm? -90.8 119.19 30.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.517 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.479 ' CZ ' HD23 ' A' ' 87' ' ' LEU . 76.9 t80 -105.79 101.41 10.92 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 171.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.569 ' HB ' ' HB3' ' A' ' 88' ' ' LEU . 27.6 t -97.26 111.66 27.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.515 -176.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -79.75 98.12 6.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.428 177.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.4 m -98.25 111.86 24.05 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -141.4 155.71 45.87 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.303 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.416 ' C ' ' H ' ' A' ' 35' ' ' TRP . 9.7 t -100.48 152.11 20.77 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.3 p -75.4 16.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -175.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.416 ' H ' ' C ' ' A' ' 33' ' ' THR . 49.6 t-105 -53.76 -34.22 58.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.542 177.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 35' ' ' TRP . 48.5 t 77.3 163.58 0.23 Allowed 'General case' 0 CA--C 1.53 0.2 0 O-C-N 124.038 0.836 . . . . 0.0 110.456 -177.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.64 -100.45 1.06 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.261 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.01 -45.05 43.84 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 123.378 2.719 . . . . 0.0 113.353 -177.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.7 p -64.97 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.085 0.469 . . . . 0.0 111.064 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -79.28 -39.74 32.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.363 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -61.55 -41.16 96.95 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.933 0.397 . . . . 0.0 110.393 175.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.7 tp -58.6 -37.04 74.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.128 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.648 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 49.9 m -69.37 -29.64 67.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.307 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -64.33 -37.75 88.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.533 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.617 HG13 HG22 ' A' ' 46' ' ' VAL . 7.4 p -107.39 -52.93 6.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -174.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.617 HG22 HG13 ' A' ' 45' ' ' VAL . 49.9 t -72.13 -38.53 63.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.537 -174.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.648 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 1.6 m-85 -84.65 39.08 0.72 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.135 0.493 . . . . 0.0 110.585 -177.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -133.82 -49.99 0.83 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.746 -178.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -63.18 126.35 27.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.531 -173.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.3 p -65.4 -40.03 92.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.675 -175.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.62 -52.23 22.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.789 -0.187 . . . . 0.0 111.133 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 88.2 t -59.76 -49.54 83.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.949 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.85 97.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.659 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -69.74 -50.72 40.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.757 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -58.92 -42.93 90.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.898 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -67.81 -49.64 61.16 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.074 -177.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -67.74 -30.65 70.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.897 -175.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -74.05 -51.04 17.05 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.147 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -74.49 -33.57 62.87 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -172.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -117.47 136.52 53.15 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.568 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.3 t -75.14 110.19 9.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.588 ' HB3' ' CD1' ' A' ' 8' ' ' PHE . 12.2 m120 -80.52 105.13 11.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.795 -175.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.505 HD22 ' HE2' ' A' ' 65' ' ' MET . 64.7 tp -106.36 126.3 52.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.955 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.651 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 54.3 tttm -96.27 118.94 33.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.335 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.505 ' HE2' HD22 ' A' ' 63' ' ' LEU . 38.3 mtt -137.04 102.52 4.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.278 0.561 . . . . 0.0 111.292 177.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.31 140.37 58.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.473 -0.785 . . . . 0.0 108.921 174.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.431 ' SD ' HG13 ' A' ' 81' ' ' VAL . 45.8 mtm -77.14 1.46 18.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.309 0.576 . . . . 0.0 110.71 176.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -113.18 97.23 6.37 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 167.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.649 ' HG2' ' H ' ' A' ' 70' ' ' GLY . 17.0 ttmm 176.53 179.85 0.19 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 113.783 -1.553 . . . . 0.0 108.398 -168.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.649 ' H ' ' HG2' ' A' ' 69' ' ' LYS . . . -56.71 -69.06 1.39 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.172 -0.537 . . . . 0.0 112.45 177.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.551 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 2.3 mp0 -77.99 -10.75 59.75 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.884 -0.186 . . . . 0.0 111.117 178.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -58.18 -49.17 78.19 Favored Glycine 0 C--N 1.329 0.187 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.782 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.6 p -64.85 -32.71 59.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.686 0.279 . . . . 0.0 110.427 178.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 78' ' ' LYS . 43.1 tt0 -66.04 -50.59 63.63 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 81.9 mt -60.23 -40.53 90.52 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.285 0.366 . . . . 0.0 111.458 -177.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.421 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 53.0 ttt180 -61.05 -42.15 97.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.057 0.456 . . . . 0.0 110.613 -178.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -76.62 -35.71 57.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.559 0.695 . . . . 0.0 110.753 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 72.1 tttt -68.17 -49.23 62.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.681 -171.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.569 ' CE1' HG21 ' A' ' 96' ' ' VAL . 92.8 m-85 -101.37 13.37 35.24 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.775 -175.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.41 56.75 22.82 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.521 -0.763 . . . . 0.0 113.214 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.431 HG13 ' SD ' ' A' ' 67' ' ' MET . 58.2 t -79.22 105.66 8.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.053 0.454 . . . . 0.0 110.798 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -109.33 22.89 15.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.302 0.572 . . . . 0.0 110.139 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -129.39 -172.53 2.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.618 176.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.761 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 59.1 m-85 -92.83 -52.32 0.27 Allowed Pre-proline 0 C--N 1.325 -0.463 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.188 177.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.761 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 71.7 Cg_endo -98.0 143.58 0.6 Allowed 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 122.388 2.058 . . . . 0.0 112.145 172.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 80.6 m -150.27 119.56 6.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.115 0.483 . . . . 0.0 110.657 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.658 HD11 HD21 ' A' ' 100' ' ' LEU . 47.6 mt -93.35 117.83 30.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.885 -178.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.569 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 34.1 tp -104.36 125.08 50.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -176.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.498 ' CE1' HG22 ' A' ' 113' ' ' VAL . 45.2 m-85 -107.41 113.7 27.22 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.282 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.775 HG12 HG22 ' A' ' 96' ' ' VAL . 65.9 mt -122.21 141.68 41.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.55 -176.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.488 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -92.46 168.84 11.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.522 176.701 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.6 m -61.91 -21.42 64.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.983 -176.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.7 p -79.99 0.34 32.0 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.872 0.368 . . . . 0.0 111.9 -177.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.26 -33.76 6.07 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.988 173.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -77.15 164.24 25.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.387 0.613 . . . . 0.0 111.968 -176.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.775 HG22 HG12 ' A' ' 90' ' ' ILE . 67.9 t -100.23 128.09 52.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.661 -177.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 30.0 m -88.9 -37.47 10.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.125 -178.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -163.12 155.45 18.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.114 -178.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -135.33 137.61 42.59 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 175.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.658 HD21 HD11 ' A' ' 87' ' ' LEU . 59.4 tp -106.79 109.48 21.4 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.27 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.0 p -85.57 102.78 11.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.617 0.723 . . . . 0.0 110.305 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 120.78 -166.11 13.93 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.515 -176.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -160.02 115.61 2.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.669 0.271 . . . . 0.0 110.626 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.655 ' HB3' ' HB2' ' A' ' 108' ' ' GLU . 0.8 OUTLIER -85.94 169.46 13.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.362 177.081 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -69.78 174.82 4.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.071 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.579 ' HB1' ' HD3' ' A' ' 107' ' ' PRO . . . -48.19 -54.47 24.82 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -170.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.579 ' HD3' ' HB1' ' A' ' 106' ' ' ALA . 24.3 Cg_exo -63.41 -47.51 7.55 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 121.834 1.69 . . . . 0.0 112.167 -178.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.655 ' HB2' ' HB3' ' A' ' 104' ' ' GLU . 44.0 mm-40 -68.29 -37.07 80.28 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.096 -176.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.424 ' HA ' HD23 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -60.71 -46.65 89.56 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -179.586 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 43.3 tp -62.46 -32.46 73.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.652 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -73.14 -42.02 63.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.452 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 108' ' ' GLU . 31.0 mmmt -64.89 -44.57 89.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.213 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.498 HG22 ' CE1' ' A' ' 89' ' ' PHE . 7.3 p -66.78 -41.52 88.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.029 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -66.55 -51.73 53.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.617 0.246 . . . . 0.0 111.053 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 89.3 mt -76.43 -12.89 60.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.539 -177.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.56 -36.82 47.93 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.372 173.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 61.0 t -84.29 -36.44 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.224 0.535 . . . . 0.0 109.983 176.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 . . . . . 0 C--N 1.327 -0.373 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.212 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.854 ' HA3' ' HB3' ' A' ' 47' ' ' PHE . . . . . . . . 0 N--CA 1.442 -0.928 0 N-CA-C 112.319 -0.312 . . . . 0.0 112.319 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.466 ' H ' ' HD2' ' A' ' 47' ' ' PHE . 80.8 mt -68.43 133.83 31.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.953 0.406 . . . . 0.0 111.6 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.92 115.96 28.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.805 172.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -72.63 159.07 34.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.12 0.486 . . . . 0.0 111.311 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 9' ' ' ARG . 15.1 mtm180 -118.54 115.0 23.68 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 174.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -81.54 111.45 17.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.529 0.68 . . . . 0.0 110.302 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.452 HD21 ' HB3' ' A' ' 15' ' ' GLU . 15.4 tp -145.72 165.48 28.65 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.361 -175.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.1 m -82.21 156.63 24.31 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.617 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 64.7 t80 -56.61 -56.51 31.56 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-O 119.032 -0.508 . . . . 0.0 112.248 -172.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.617 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 67.5 Cg_exo -50.13 -43.55 42.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 122.25 1.966 . . . . 0.0 113.122 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.452 ' HB3' HD21 ' A' ' 11' ' ' LEU . 37.9 mt-10 -65.18 -54.12 34.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.743 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.22 -32.83 72.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.251 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 92' ' ' SER . 21.4 tp -61.72 -50.25 73.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.748 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -55.9 -42.2 75.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.711 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -62.97 -43.12 99.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.78 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.71 -51.44 68.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.546 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -60.62 -37.43 81.43 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -175.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.6 t -89.2 -51.29 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -173.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -99.46 -24.82 14.65 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -167.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -128.54 -145.04 0.29 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -176.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.508 ' HB3' HD12 ' A' ' 26' ' ' LEU . 51.8 mttp -125.66 -85.47 0.63 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.508 HD12 ' HB3' ' A' ' 25' ' ' LYS . 7.2 mp -102.73 162.92 12.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.01 0.434 . . . . 0.0 110.875 -177.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.31 117.85 35.79 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.243 -176.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -93.0 107.09 18.95 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 177.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.569 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 39.9 t -102.01 113.68 39.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.939 0.399 . . . . 0.0 111.382 -175.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -90.89 115.85 28.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.793 174.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 76.1 m -117.57 113.56 22.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.171 0.51 . . . . 0.0 110.342 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -133.39 154.86 50.4 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.782 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.4 t -106.06 173.2 6.42 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.136 173.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 m -73.0 -3.13 24.14 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -174.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.449 ' HB2' ' CD1' ' A' ' 84' ' ' TYR . 80.3 m95 -80.1 103.98 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.7 m 61.5 -175.23 0.13 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.262 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.94 64.84 0.56 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.277 -0.963 . . . . 0.0 113.16 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.19 -41.19 53.34 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.489 2.126 . . . . 0.0 112.163 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.507 ' HA ' HD13 ' A' ' 42' ' ' LEU . 37.6 t -63.93 -30.96 72.0 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.91 0.386 . . . . 0.0 110.49 179.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -69.65 -28.97 66.34 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.182 0.515 . . . . 0.0 110.608 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -75.24 -31.12 60.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.255 0.55 . . . . 0.0 109.852 176.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.507 HD13 ' HA ' ' A' ' 39' ' ' CYS . 95.4 mt -63.12 -33.19 74.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.349 175.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.633 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 14.0 m -61.36 -33.28 73.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.781 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -68.44 -56.39 8.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.179 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.493 HG23 HG22 ' A' ' 46' ' ' VAL . 7.3 m -84.36 -45.73 17.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -172.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.493 HG22 HG23 ' A' ' 45' ' ' VAL . 59.4 t -80.67 -49.12 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.891 0.377 . . . . 0.0 111.629 -173.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.854 ' HB3' ' HA3' ' A' ' 5' ' ' GLY . 11.5 m-85 -71.25 -5.27 30.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.953 -173.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -75.3 -26.49 58.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.692 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -73.94 128.59 35.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.812 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.9 p -69.53 -46.82 65.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.253 -175.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.17 -42.24 89.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.768 -176.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.3 t -66.29 -32.81 59.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.416 177.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.97 -51.75 51.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.572 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -59.07 -39.35 81.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.655 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -59.97 -57.7 11.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.356 -177.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.4 ' HA ' ' HD2' ' A' ' 60' ' ' PHE . 32.1 m-85 -71.27 -39.57 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -177.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.409 ' HA ' ' OD1' ' A' ' 62' ' ' ASN . 4.0 t-20 -68.85 -41.41 78.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.56 -175.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.5 ttp85 -88.86 -36.97 15.69 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -172.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -88.91 -19.27 26.02 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.421 -174.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.48 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 79.7 m-85 -130.14 158.51 39.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.82 0.343 . . . . 0.0 110.664 -176.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 64.9 t -89.93 116.52 31.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.409 ' OD1' ' HA ' ' A' ' 57' ' ' ASN . 8.5 m120 -81.43 100.74 9.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.991 0.424 . . . . 0.0 110.352 -176.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.428 HD13 ' O ' ' A' ' 11' ' ' LEU . 45.4 tp -105.53 128.87 53.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.417 -178.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -116.79 120.07 37.39 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.447 ' HE2' ' H ' ' A' ' 71' ' ' GLU . 13.4 ttt -142.45 150.31 40.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.217 0.532 . . . . 0.0 111.097 -177.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -88.81 156.47 18.94 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.629 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 57.7 mtt -85.78 2.72 44.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.256 0.551 . . . . 0.0 110.573 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -113.34 -40.36 3.9 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.366 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -90.82 134.28 34.56 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.326 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.78 -116.85 5.52 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.479 -0.782 . . . . 0.0 113.696 169.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.447 ' H ' ' HE2' ' A' ' 65' ' ' MET . 33.9 mt-10 -94.32 4.27 54.09 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 122.584 0.354 . . . . 0.0 111.104 -174.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 76' ' ' ARG . . . -57.33 -45.5 92.76 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.668 -178.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.93 -32.77 58.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.897 0.38 . . . . 0.0 111.31 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -68.47 -52.21 34.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.2 -178.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.538 ' HA ' ' HB3' ' A' ' 78' ' ' LYS . 79.0 mt -66.04 -30.74 71.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.319 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 24.7 ttt180 -54.37 -51.06 65.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.477 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -77.02 -29.53 55.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.242 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.538 ' HB3' ' HA ' ' A' ' 75' ' ' LEU . 14.9 tppt? -59.12 -50.67 73.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.899 0.38 . . . . 0.0 111.175 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.585 ' HD1' ' HD3' ' A' ' 99' ' ' ARG . 87.5 m-85 -96.04 -3.97 43.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.935 -175.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 64.37 33.89 88.44 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.556 177.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.426 HG12 HG21 ' A' ' 86' ' ' THR . 20.4 m -85.52 135.59 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 CA-C-O 121.187 0.517 . . . . 0.0 111.274 -176.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -126.08 7.47 7.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.622 176.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.75 -179.6 7.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.755 -177.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.863 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 54.1 m-85 -96.21 -55.66 0.21 Allowed Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.337 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.863 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 11.1 Cg_endo -95.19 114.86 0.17 Allowed 'Trans proline' 0 N--CA 1.449 -1.121 0 C-N-CA 122.652 2.235 . . . . 0.0 112.128 172.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.426 HG21 HG12 ' A' ' 81' ' ' VAL . 41.7 m -124.6 119.52 29.28 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.069 0.461 . . . . 0.0 110.49 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.481 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 3.2 mm? -100.0 119.47 38.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.151 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.569 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 97.5 mt -110.69 129.67 55.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.741 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.597 ' HE2' HD22 ' A' ' 100' ' ' LEU . 27.5 m-85 -112.71 106.3 14.64 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.535 HD13 HG21 ' A' ' 29' ' ' VAL . 63.0 mt -117.69 142.39 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.767 -168.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -87.66 -174.3 4.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.891 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.46 ' HA ' HD12 ' A' ' 17' ' ' LEU . 5.4 p -71.38 -26.9 62.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 112.066 -176.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.542 ' HB3' ' HG2' ' A' ' 95' ' ' GLU . 43.4 t -75.79 -18.64 59.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.129 0.49 . . . . 0.0 110.937 177.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 98.17 14.05 40.34 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.583 -0.817 . . . . 0.0 111.758 -175.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.542 ' HG2' ' HB3' ' A' ' 93' ' ' SER . 9.1 mm-40 -92.54 139.32 30.7 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.8 p -89.82 133.49 31.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.775 0.322 . . . . 0.0 110.157 177.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 30.3 m -82.83 -30.38 8.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.908 0.385 . . . . 0.0 110.894 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -166.98 143.81 4.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.461 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.585 ' HD3' ' HD1' ' A' ' 79' ' ' TYR . 73.1 mtm180 -106.25 121.55 44.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.901 -178.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.702 HD23 ' HB3' ' A' ' 112' ' ' LYS . 0.2 OUTLIER -97.02 132.34 42.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.022 179.566 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 37.7 t -118.11 114.8 46.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.03 -158.17 32.85 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.521 -0.847 . . . . 0.0 111.229 -176.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -158.83 144.93 16.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.02 0.438 . . . . 0.0 111.447 -178.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -116.39 -175.22 2.71 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.635 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -65.87 169.04 7.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.702 -0.227 . . . . 0.0 110.825 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.562 ' HB2' ' HD3' ' A' ' 107' ' ' PRO . . . -49.67 -52.16 53.31 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 -172.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.562 ' HD3' ' HB2' ' A' ' 106' ' ' ALA . 33.3 Cg_exo -62.84 -38.84 45.59 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 121.986 1.791 . . . . 0.0 112.307 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.44 -31.66 62.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.232 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.4 tp -60.81 -52.37 65.35 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.213 0.53 . . . . 0.0 109.686 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.9 tp -63.87 -36.69 84.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.16 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -59.11 -47.92 83.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.179 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.702 ' HB3' HD23 ' A' ' 100' ' ' LEU . 30.1 mmmt -61.75 -49.11 77.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.807 -178.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 5.9 p -68.54 -43.6 83.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.113 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -63.81 -39.9 95.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.678 -177.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 115' ' ' LEU . 1.7 tm? -77.5 -31.27 53.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.282 -178.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -64.77 -37.89 94.9 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.139 -0.553 . . . . 0.0 113.209 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 12.4 p -107.05 -12.34 10.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.309 0.575 . . . . 0.0 110.252 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.205 -176.729 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.682 0 N-CA-C 112.409 -0.277 . . . . 0.0 112.409 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.544 HG12 ' HA ' ' A' ' 53' ' ' ALA . 77.1 mt -59.38 122.26 9.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.934 0.397 . . . . 0.0 111.077 177.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -117.59 121.26 40.47 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.806 175.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -80.12 123.56 27.99 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.536 ' NH2' HG13 ' A' ' 61' ' ' VAL . 35.6 mtm-85 -87.17 147.14 25.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.549 -172.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.421 ' HG2' ' HD3' ' A' ' 64' ' ' LYS . 39.5 mt-10 -101.05 105.02 16.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.884 0.373 . . . . 0.0 110.952 -175.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.6 mt -129.44 160.62 32.57 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.026 177.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.8 m -74.4 157.7 35.2 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 176.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.69 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 46.6 t80 -54.26 -56.24 28.44 Favored Pre-proline 0 CA--C 1.544 0.712 0 CA-C-O 119.441 -0.314 . . . . 0.0 111.823 -175.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.69 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 31.7 Cg_exo -58.36 -44.79 35.2 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 121.91 1.74 . . . . 0.0 112.512 174.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -58.11 -51.28 70.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.918 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.82 95.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.104 -176.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 92' ' ' SER . 42.9 tp -59.84 -51.8 68.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.274 0.559 . . . . 0.0 110.166 178.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.445 ' HZ2' HG12 ' A' ' 22' ' ' VAL . 26.9 tptp -58.6 -44.36 89.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.848 178.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.9 tpp85 -61.89 -49.01 77.91 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.163 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.517 ' HA ' HG21 ' A' ' 61' ' ' VAL . . . -60.48 -40.32 90.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 177.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -63.53 -38.42 91.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.56 -176.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.445 HG12 ' HZ2' ' A' ' 18' ' ' LYS . 26.8 m -89.65 -40.73 13.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -172.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -100.79 -38.22 8.37 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.135 -0.626 . . . . 0.0 112.327 -173.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -117.97 -138.07 0.35 Allowed 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.443 -171.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -116.15 -66.35 1.09 Allowed 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.162 -168.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 tt -143.47 161.04 39.46 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.846 -171.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.2 tp -87.64 105.27 17.24 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.86 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.402 ' CZ ' HD23 ' A' ' 87' ' ' LEU . 66.0 t80 -104.42 114.99 29.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.079 0.466 . . . . 0.0 109.829 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.585 HG22 HD21 ' A' ' 63' ' ' LEU . 38.6 t -108.28 132.56 55.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.974 -175.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -109.56 120.15 41.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.005 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.567 ' HB2' ' HB ' ' A' ' 86' ' ' THR . 74.5 m -117.38 113.68 22.45 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 177.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -103.5 147.55 27.02 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.504 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.7 m -99.25 146.17 26.49 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 175.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.29 -9.35 1.48 Allowed 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -171.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -62.95 -44.55 95.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.709 0.29 . . . . 0.0 111.166 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.8 m 57.73 28.55 16.02 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.689 177.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.91 -71.62 0.87 Allowed Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.446 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.484 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 47.1 Cg_exo -55.71 -36.76 95.57 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.017 2.478 . . . . 0.0 112.39 175.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.0 t -58.83 -28.77 66.36 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.053 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -63.64 -45.53 89.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.101 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 -67.33 -37.15 82.83 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.055 0.455 . . . . 0.0 110.659 177.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 38' ' ' PRO . 79.3 mt -65.24 -35.84 82.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.794 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.7 m -62.44 -29.91 70.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.742 -177.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -72.49 -50.43 26.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.938 0.399 . . . . 0.0 111.828 -176.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.445 HG13 ' N ' ' A' ' 46' ' ' VAL . 7.5 p -105.91 -52.52 7.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -173.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.459 HG22 HD22 ' A' ' 42' ' ' LEU . 55.5 t -59.17 -47.34 90.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.584 -175.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -82.71 24.83 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -176.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -134.31 -38.66 0.84 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -60.86 113.17 2.36 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.885 0.374 . . . . 0.0 111.049 -176.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.8 m -69.21 -31.03 69.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.104 -176.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.53 -46.54 79.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.015 0.436 . . . . 0.0 110.702 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.499 HG11 HD11 ' A' ' 6' ' ' ILE . 57.3 t -68.88 -33.97 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.379 176.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.544 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -57.46 -51.23 70.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.663 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.09 -43.25 95.98 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.014 0.435 . . . . 0.0 110.347 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -54.87 -56.39 20.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.338 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -67.27 -52.89 35.2 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -64.72 -30.87 71.9 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -170.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.425 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 7.1 tpm_? -88.41 -34.89 17.39 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.786 -176.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -88.88 -33.74 17.22 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.726 -174.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -125.44 157.79 36.02 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.536 HG13 ' NH2' ' A' ' 9' ' ' ARG . 91.6 t -89.86 120.83 39.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -86.22 120.92 28.11 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.374 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.585 HD21 HG22 ' A' ' 29' ' ' VAL . 64.7 tp -122.14 125.29 45.84 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.539 -176.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HD3' ' HG2' ' A' ' 10' ' ' GLU . 66.6 tttt -93.71 122.77 36.51 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.45 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 97.3 mmm -129.91 133.61 46.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.012 0.434 . . . . 0.0 110.67 176.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.504 ' HB3' ' CB ' ' A' ' 69' ' ' LYS . 8.6 t70 -91.63 155.51 18.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 177.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 20.6 mmt -70.06 -28.3 65.34 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.584 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -115.14 16.05 17.02 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.342 -177.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.504 ' CB ' ' HB3' ' A' ' 66' ' ' ASP . 17.9 tppt? -107.79 111.67 23.95 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.83 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.75 -117.68 9.25 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.62 -0.718 . . . . 0.0 113.301 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -72.37 -4.43 29.93 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 122.439 0.296 . . . . 0.0 111.594 -175.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -55.56 -42.57 84.6 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.899 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 28.6 m -67.07 -34.07 67.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.058 0.456 . . . . 0.0 110.756 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.39 -47.53 63.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.005 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.21 -43.94 97.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.949 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.472 ' HG3' ' CG1' ' A' ' 81' ' ' VAL . 17.9 ttp180 -59.79 -43.44 94.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.338 -178.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -76.14 -23.85 54.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.932 0.396 . . . . 0.0 110.569 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -71.65 -50.02 34.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.199 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.513 ' HH ' HD21 ' A' ' 88' ' ' LEU . 94.7 m-85 -90.94 -7.15 52.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.118 -176.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 57.72 46.41 92.27 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.168 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.477 HG23 ' OG1' ' A' ' 86' ' ' THR . 6.2 p -74.44 120.78 24.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.626 0.726 . . . . 0.0 111.221 -176.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -109.55 8.27 25.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.352 176.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.4 -179.53 4.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.893 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.821 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 33.9 m-85 -95.33 -55.74 0.22 Allowed Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.095 -177.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.821 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 3.4 Cg_endo -87.94 130.01 2.55 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 122.214 1.942 . . . . 0.0 111.156 174.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.567 ' HB ' ' HB2' ' A' ' 31' ' ' CYS . 3.9 m -127.63 105.43 8.47 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.714 -0.395 . . . . 0.0 110.873 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.721 HD11 HD22 ' A' ' 100' ' ' LEU . 79.0 mt -96.38 137.84 34.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 176.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.55 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 19.8 tp -134.98 128.57 32.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.111 -171.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.627 ' HZ ' HG12 ' A' ' 113' ' ' VAL . 73.9 m-85 -110.64 106.54 15.82 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.293 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 57.3 mt -113.17 132.35 62.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.612 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 34.4 p30 -79.21 171.85 14.61 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.422 ' HA ' HD12 ' A' ' 17' ' ' LEU . 19.3 m -73.38 -1.37 17.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 0.0 111.738 -177.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.9 t -87.25 -31.81 20.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.887 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.82 14.3 8.74 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.441 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -113.19 148.17 35.98 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.767 0.317 . . . . 0.0 110.475 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.7 p -86.57 129.82 37.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.284 0.564 . . . . 0.0 110.52 178.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.6 t -93.23 -42.72 13.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.288 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -143.99 137.77 27.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.707 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -118.98 135.52 54.57 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.721 HD22 HD11 ' A' ' 87' ' ' LEU . 55.4 tp -126.37 107.23 10.1 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.059 0.457 . . . . 0.0 110.599 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 15.1 m -102.29 122.54 54.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.057 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.1 150.52 26.85 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -175.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.493 ' HB2' HD12 ' A' ' 109' ' ' LEU . . . -153.28 141.77 20.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.817 0.342 . . . . 0.0 111.573 -176.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -101.31 -174.14 2.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.434 174.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -59.55 170.17 1.11 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.975 0.416 . . . . 0.0 111.899 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.582 ' HB2' ' HD3' ' A' ' 107' ' ' PRO . . . -46.02 -57.49 8.08 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -169.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.582 ' HD3' ' HB2' ' A' ' 106' ' ' ALA . 27.4 Cg_exo -62.21 -43.53 23.3 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 121.715 1.61 . . . . 0.0 112.536 -174.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -73.21 -32.9 65.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.788 -176.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.493 HD12 ' HB2' ' A' ' 103' ' ' ALA . 54.2 tp -65.09 -51.25 62.45 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.179 174.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 55.4 tp -54.47 -46.21 73.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.683 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.58 -38.72 91.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.748 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -69.05 -38.78 79.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.711 -178.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.627 HG12 ' HZ ' ' A' ' 89' ' ' PHE . 93.2 t -63.95 -46.68 93.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.524 177.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -62.34 -42.85 99.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.64 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.9 tp -72.8 -11.01 60.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.112 0.482 . . . . 0.0 110.772 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -80.11 -22.23 63.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.098 -0.572 . . . . 0.0 111.987 176.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 43.9 t -109.63 -45.32 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.743 0.306 . . . . 0.0 110.367 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 . . . . . 0 C--O 1.235 0.298 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.548 -179.34 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.678 0 CA-C-O 120.822 0.124 . . . . 0.0 113.152 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.553 HG12 ' HA ' ' A' ' 53' ' ' ALA . 19.1 mt -68.72 114.48 5.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.885 0.374 . . . . 0.0 110.481 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -98.01 96.86 8.44 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.135 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.511 ' CB ' ' HB2' ' A' ' 64' ' ' LYS . 77.3 m-85 -71.28 112.32 7.32 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 175.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -68.06 133.37 48.87 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.076 -174.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.7 mp0 -81.39 94.13 6.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.623 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.536 ' HB2' HD12 ' A' ' 63' ' ' LEU . 83.7 mt -113.02 152.65 29.22 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.194 174.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.8 m -81.83 169.3 17.04 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.447 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 63.8 t80 -55.29 -54.52 49.79 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-O 119.573 -0.251 . . . . 0.0 110.96 178.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.447 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 20.5 Cg_endo -61.16 -39.65 57.19 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 121.915 1.743 . . . . 0.0 112.32 176.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -58.04 -54.22 49.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.006 0.432 . . . . 0.0 111.542 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.432 ' HB1' HD22 ' A' ' 27' ' ' LEU . . . -63.89 -41.33 97.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.946 -177.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.0 tp -63.35 -45.11 92.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.3 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -56.27 -50.52 71.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.837 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -63.13 -36.25 82.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.283 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB1' ' HA ' ' A' ' 92' ' ' SER . . . -58.51 -51.25 70.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.059 0.457 . . . . 0.0 110.751 176.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.33 -51.24 66.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.511 -177.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.1 m -79.11 -32.01 14.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -170.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -100.04 -23.04 15.0 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.635 -174.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.6 t70 64.99 90.29 0.09 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.293 0.568 . . . . 0.0 111.89 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -176.49 121.76 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.608 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.556 HD21 ' HA ' ' A' ' 91' ' ' ASN . 72.8 mt -63.3 154.7 30.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.404 0.621 . . . . 0.0 112.014 -172.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.674 ' HG ' ' HB ' ' A' ' 61' ' ' VAL . 10.1 mp -101.22 143.78 30.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.662 -174.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -122.12 107.57 12.34 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 168.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.71 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 23.7 t -104.27 127.52 58.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.264 -172.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -98.91 112.7 24.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.433 173.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.2 m -122.09 112.3 18.06 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.477 ' O ' ' HG2' ' A' ' 67' ' ' MET . 50.4 p90 -127.11 165.65 19.14 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.495 0.664 . . . . 0.0 111.478 -174.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.9 m -99.39 151.63 20.87 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.922 -1.035 . . . . 0.0 108.85 173.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.6 m -43.48 -44.5 5.96 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.141 0.496 . . . . 0.0 110.97 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -82.48 94.2 7.4 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 170.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.565 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 6.6 p -134.05 83.01 2.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.25 0.547 . . . . 0.0 110.939 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.27 -65.4 3.59 Favored Glycine 0 CA--C 1.517 0.208 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.936 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.519 ' HB2' ' HB1' ' A' ' 103' ' ' ALA . 9.7 Cg_endo -53.71 -36.82 83.08 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.915 2.41 . . . . 0.0 112.838 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.565 ' HB3' ' HB2' ' A' ' 36' ' ' CYS . 53.0 t -64.62 -50.39 67.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.679 0.276 . . . . 0.0 110.467 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 71.3 mmtt -66.49 -28.33 68.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.822 179.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -63.12 -47.25 83.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.447 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.486 HD21 ' HB2' ' A' ' 103' ' ' ALA . 4.2 pp -78.9 -20.07 50.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.2 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.698 ' O ' ' HB2' ' A' ' 47' ' ' PHE . 71.3 m -58.52 -29.94 66.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 111.63 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -78.91 -46.88 17.51 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.285 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.526 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 6.8 m -89.24 -40.79 13.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -173.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.8 t -78.89 -33.12 15.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 O-C-N 122.186 -0.321 . . . . 0.0 110.844 -177.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.698 ' HB2' ' O ' ' A' ' 43' ' ' SER . 10.2 m-85 -91.05 19.31 5.82 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -176.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -113.34 -11.52 13.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.247 0.546 . . . . 0.0 110.206 171.562 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -92.0 114.76 27.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.447 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.7 t -69.62 -32.01 70.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.209 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.48 -42.22 71.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.616 0.246 . . . . 0.0 111.405 -176.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 84.6 t -61.75 -44.13 98.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.03 0.443 . . . . 0.0 110.081 175.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.553 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -61.34 -48.31 81.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.936 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -57.14 -43.31 82.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.132 178.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -56.19 -47.23 78.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.236 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -74.7 -42.23 58.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.608 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.582 ' HA ' ' OD1' ' A' ' 62' ' ' ASN . 26.1 t-20 -61.97 -37.54 85.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.726 -175.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -83.76 -46.84 11.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.977 -176.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 -84.89 -17.63 37.3 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -170.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -137.56 169.44 17.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.996 0.426 . . . . 0.0 110.88 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.674 ' HB ' ' HG ' ' A' ' 27' ' ' LEU . 61.1 t -92.48 121.8 43.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 173.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.582 ' OD1' ' HA ' ' A' ' 57' ' ' ASN . 7.1 m120 -83.57 115.96 22.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.113 -178.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.536 HD12 ' HB2' ' A' ' 11' ' ' LEU . 45.8 tp -126.61 129.32 48.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.768 0.318 . . . . 0.0 111.274 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.511 ' HB2' ' CB ' ' A' ' 8' ' ' PHE . 61.0 tttm -114.06 127.82 56.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.062 175.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 30.9 ttm -143.15 122.85 13.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.102 0.477 . . . . 0.0 110.367 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.635 ' HB2' ' HG2' ' A' ' 69' ' ' LYS . 4.1 m-20 -93.96 155.44 17.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.132 -173.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.477 ' HG2' ' O ' ' A' ' 32' ' ' PHE . 22.9 mmt -77.91 4.38 12.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.761 -176.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -114.37 9.28 16.84 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.085 0.469 . . . . 0.0 110.333 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.635 ' HG2' ' HB2' ' A' ' 66' ' ' ASP . 69.4 mmtt -104.16 163.86 12.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.726 -178.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.25 -16.32 62.29 Favored Glycine 0 N--CA 1.453 -0.197 0 CA-C-N 115.931 -0.577 . . . . 0.0 114.07 -172.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -112.77 -6.44 13.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.289 0.545 . . . . 0.0 110.962 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.56 -46.26 32.82 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.819 -0.705 . . . . 0.0 113.344 -173.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.2 m -68.7 -19.66 24.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 121.034 -0.267 . . . . 0.0 111.076 -175.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -65.45 -52.01 56.08 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.261 0.553 . . . . 0.0 109.658 177.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 76.7 mt -67.08 -36.05 81.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.637 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.485 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 62.0 ttp180 -57.16 -50.44 72.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.222 -179.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -73.93 -27.98 61.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.129 0.49 . . . . 0.0 110.512 -177.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -73.64 -32.84 64.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.616 -175.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -115.54 16.06 16.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -173.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.12 28.11 70.81 Favored Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 120.926 -0.654 . . . . 0.0 113.173 174.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.52 HG23 HG22 ' A' ' 86' ' ' THR . 30.6 t -79.86 147.13 6.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -127.02 -72.07 0.66 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -175.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -153.76 32.22 0.45 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.082 0.467 . . . . 0.0 111.566 -174.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.668 ' HB3' ' HD2' ' A' ' 85' ' ' PRO . 98.6 m-85 -127.4 178.87 1.39 Allowed Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.625 -178.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.668 ' HD2' ' HB3' ' A' ' 84' ' ' TYR . 57.1 Cg_endo -76.59 130.62 11.84 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 121.725 1.617 . . . . 0.0 110.992 163.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.53 HG21 ' HA ' ' A' ' 101' ' ' VAL . 25.2 m -131.66 129.61 41.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.924 0.393 . . . . 0.0 110.937 -176.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.0 mt -94.99 132.78 39.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.155 -176.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.71 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 94.9 mt -120.92 121.79 38.8 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.891 0.377 . . . . 0.0 111.249 -177.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -102.61 106.78 17.51 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.479 HD12 HG22 ' A' ' 29' ' ' VAL . 58.9 mt -114.14 143.27 24.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.027 0.441 . . . . 0.0 111.329 -172.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.556 ' HA ' HD21 ' A' ' 26' ' ' LEU . 92.2 m-20 -87.76 -167.96 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.876 177.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.516 ' HA ' ' HB1' ' A' ' 20' ' ' ALA . 6.8 m -72.87 -43.9 62.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.576 -177.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.4 m -92.7 28.24 2.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.882 0.372 . . . . 0.0 110.381 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 91' ' ' ASN . . . 84.96 -129.55 9.3 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -170.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 56.84 95.99 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 117.241 0.52 . . . . 0.0 111.918 172.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.7 m -66.41 114.15 3.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.242 0.544 . . . . 0.0 110.489 177.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.3 p -77.81 -29.27 15.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.28 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -150.11 141.78 23.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.901 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -123.64 143.81 50.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.039 0.447 . . . . 0.0 110.732 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.1 tt -152.69 108.38 3.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.759 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.53 ' HA ' HG21 ' A' ' 86' ' ' THR . 48.5 t -92.03 105.64 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.18 175.32 14.34 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.083 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.519 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -144.91 126.69 15.29 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -99.01 169.07 9.69 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.487 -175.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.609 ' OD1' ' HD2' ' A' ' 107' ' ' PRO . 1.5 p30 -69.91 166.49 19.4 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 110.224 -0.288 . . . . 0.0 110.224 174.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.578 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -46.1 -54.74 15.83 Favored Pre-proline 0 CA--C 1.54 0.585 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -173.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.609 ' HD2' ' OD1' ' A' ' 105' ' ' ASP . 24.3 Cg_exo -63.44 -47.7 7.18 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 122.036 1.824 . . . . 0.0 112.474 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 112' ' ' LYS . 12.1 tp10 -68.96 -32.65 72.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.827 -176.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 25.9 tp -67.16 -49.22 65.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.927 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 44.2 tp -61.61 -37.84 85.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.428 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.427 ' HG3' HD21 ' A' ' 115' ' ' LEU . 23.7 ttmm -70.07 -35.07 73.95 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.908 176.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 108' ' ' GLU . 6.0 tppt? -63.47 -44.47 94.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.107 -178.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.2 p -72.75 -41.42 61.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.962 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -66.66 -54.68 20.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.605 0.24 . . . . 0.0 111.417 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.427 HD21 ' HG3' ' A' ' 111' ' ' LYS . 4.5 mm? -73.81 -7.43 52.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 111.462 -176.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -90.16 -15.97 56.57 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.348 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.57 -52.63 2.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-O 120.662 0.268 . . . . 0.0 111.209 -177.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 120.958 0.409 . . . . 0.0 110.59 -176.959 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 47' ' ' PHE . . . . . . . . 0 N--CA 1.444 -0.788 0 N-CA-C 111.564 -0.614 . . . . 0.0 111.564 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.561 HG12 ' HA ' ' A' ' 53' ' ' ALA . 29.9 mt -64.91 134.16 29.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.873 0.368 . . . . 0.0 110.52 176.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.87 95.28 8.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.761 -178.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.787 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 89.2 m-85 -82.06 139.16 34.62 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.204 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -119.52 136.79 54.19 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.77 96.19 6.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.481 0.658 . . . . 0.0 111.789 -177.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -112.07 167.52 10.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.54 175.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.8 t -70.59 162.02 29.66 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 171.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.61 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 79.3 t80 -59.53 -53.63 63.89 Favored Pre-proline 0 CA--C 1.538 0.488 0 CA-C-O 119.327 -0.368 . . . . 0.0 111.724 -176.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.61 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 52.7 Cg_exo -53.21 -44.88 45.22 Favored 'Trans proline' 0 C--N 1.359 1.098 0 C-N-CA 121.928 1.752 . . . . 0.0 112.181 174.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.632 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 14.6 tp10 -57.89 -55.02 40.29 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.842 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.6 -36.94 82.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.656 -177.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.6 tp -61.73 -49.77 75.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.441 0.639 . . . . 0.0 109.974 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -62.5 -43.44 98.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.922 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 12.9 mmt180 -57.83 -42.46 84.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.024 178.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.666 ' HA ' ' HB2' ' A' ' 24' ' ' ASP . . . -63.17 -45.63 90.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -57.09 -37.34 71.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.835 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.7 t -87.81 -55.42 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -176.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -98.94 -33.69 10.75 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -169.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.666 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 15.8 m-20 -110.31 -150.15 0.45 Allowed 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.715 -172.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.454 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 50.0 tptt -129.59 -85.37 0.55 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.449 0.166 . . . . 0.0 110.593 178.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.541 ' HG ' ' HA ' ' A' ' 91' ' ' ASN . 8.8 mp -98.75 -176.6 3.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.593 0.235 . . . . 0.0 110.396 177.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.52 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 68.2 tp -110.95 119.81 40.29 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.902 0.382 . . . . 0.0 111.115 -175.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.455 ' HB2' ' CB ' ' A' ' 60' ' ' PHE . 89.1 t80 -98.66 107.38 19.82 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 175.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.557 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 39.3 t -95.0 105.0 16.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.749 -177.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -90.85 110.53 21.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.137 174.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 97.6 m -123.32 113.63 19.12 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.352 176.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.475 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 21.9 p90 -129.09 165.4 21.3 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.54 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.453 HG22 ' H ' ' A' ' 35' ' ' TRP . 28.2 m -99.36 147.82 24.82 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.091 177.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -57.66 -28.65 63.95 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.453 ' H ' HG22 ' A' ' 33' ' ' THR . 84.3 t90 -57.53 111.13 1.02 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.489 171.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.431 ' HB3' ' HE3' ' A' ' 40' ' ' LYS . 91.3 m -79.51 99.34 7.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.234 0.54 . . . . 0.0 111.537 -174.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.8 -116.34 1.86 Allowed Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.367 175.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.443 ' HB2' ' HG3' ' A' ' 85' ' ' PRO . 32.0 Cg_exo -60.43 -28.33 86.54 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 123.023 2.482 . . . . 0.0 112.512 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.7 p -59.19 -35.57 73.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.7 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.431 ' HE3' ' HB3' ' A' ' 36' ' ' CYS . 40.9 ttmt -69.85 -45.53 67.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.741 0.305 . . . . 0.0 110.684 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -66.66 -35.44 80.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.03 0.443 . . . . 0.0 110.217 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.423 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 63.4 tp -60.94 -46.86 88.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.658 177.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.1 t -75.66 -39.56 57.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 -176.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 17.6 tppt? -79.58 -42.44 25.0 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -174.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.6 t -94.63 -50.36 11.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -173.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.466 HG12 ' HA ' ' A' ' 106' ' ' ALA . 49.1 t -72.76 -52.31 23.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 111.531 -174.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.434 ' O ' ' HA2' ' A' ' 5' ' ' GLY . 22.6 m-85 -82.21 16.02 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.38 -0.373 . . . . 0.0 112.001 -174.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 52.8 tttp -83.89 -31.46 25.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.921 0.391 . . . . 0.0 110.853 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -69.72 139.0 53.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.496 -174.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.9 p -69.08 -37.33 78.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.749 -176.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.49 -41.75 75.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.329 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.0 t -63.89 -44.72 98.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.121 174.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.561 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -56.85 -50.14 73.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.43 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -68.08 -35.48 78.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.431 -177.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -57.89 -51.8 68.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.103 0.478 . . . . 0.0 110.528 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -72.94 -29.88 63.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -70.08 -38.49 75.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.992 0.425 . . . . 0.0 111.493 -178.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -83.73 -40.48 18.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.803 0.335 . . . . 0.0 111.407 -175.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -80.22 -28.01 38.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.41 -174.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.455 ' CB ' ' HB2' ' A' ' 28' ' ' PHE . 78.2 m-85 -136.94 153.95 50.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.236 -177.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.4 p -81.24 127.78 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 168.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -80.18 95.7 6.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.366 -176.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 56.0 tp -104.79 125.5 50.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.593 -178.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.787 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 89.2 tttt -108.2 134.72 50.66 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.241 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.4 mmt -132.03 159.25 39.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.028 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -102.99 157.05 17.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 172.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 41.1 mtt -96.87 -8.84 29.88 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 120.834 0.349 . . . . 0.0 111.351 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -115.0 -40.67 3.45 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.444 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -93.28 117.32 29.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.307 -175.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.97 -116.33 4.64 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.029 -0.605 . . . . 0.0 113.302 172.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -85.98 6.65 27.69 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.345 0.258 . . . . 0.0 111.225 -174.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.26 -57.0 22.02 Favored Glycine 0 N--CA 1.453 -0.172 0 CA-C-N 116.259 -0.428 . . . . 0.0 113.761 -172.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 28.0 m -60.21 -32.67 51.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.806 0.336 . . . . 0.0 111.171 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 44.6 mt-10 -75.35 -46.87 30.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.266 -178.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.42 -36.65 84.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.882 0.372 . . . . 0.0 110.609 178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.66 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 53.4 ttp180 -62.16 -36.99 83.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.183 177.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -76.68 -26.76 55.12 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.465 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 67.8 mmtt -69.47 -49.52 54.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.812 -178.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -100.8 2.63 41.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.513 -173.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.43 44.05 91.2 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.434 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.66 ' HB ' ' HG3' ' A' ' 76' ' ' ARG . 58.5 t -76.33 125.8 36.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.721 0.296 . . . . 0.0 110.84 -176.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -127.41 12.75 7.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.321 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.03 177.68 5.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.148 -177.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.696 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 77.6 m-85 -92.3 -51.82 0.28 Allowed Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.696 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 58.4 Cg_endo -94.6 110.04 0.15 Allowed 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.397 2.065 . . . . 0.0 112.03 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.8 m -128.0 136.25 51.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.827 0.346 . . . . 0.0 111.071 -175.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.8 mp -125.92 121.9 34.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.299 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.557 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 3.2 mm? -116.54 125.75 52.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.008 0.433 . . . . 0.0 111.055 178.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -101.68 108.27 19.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.43 176.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.52 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 48.8 mm -110.41 141.25 26.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.723 -174.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.541 ' HA ' ' HG ' ' A' ' 26' ' ' LEU . 16.3 t-20 -74.52 172.0 12.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.089 0.471 . . . . 0.0 110.042 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.6 m -72.6 -15.91 61.73 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.501 -177.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.464 ' HB2' ' HG2' ' A' ' 95' ' ' GLU . 3.9 m -93.56 6.45 48.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.618 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.04 26.38 62.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.939 -176.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.464 ' HG2' ' HB2' ' A' ' 93' ' ' SER . 23.2 mm-40 -97.15 147.73 23.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.527 -0.336 . . . . 0.0 111.018 -176.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 65.4 t -81.78 108.56 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.971 0.415 . . . . 0.0 110.579 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 64.1 t -86.71 -56.84 4.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -178.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -153.57 127.54 8.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.908 -177.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.422 ' HA ' HD12 ' A' ' 88' ' ' LEU . 17.0 ptp180 -95.78 145.18 25.53 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.3 tp -136.23 107.65 6.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.139 0.495 . . . . 0.0 110.639 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 62.9 t -101.15 107.98 22.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.514 177.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.86 144.66 16.97 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -175.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -122.03 136.78 54.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.081 0.467 . . . . 0.0 111.412 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -96.35 -175.88 3.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.776 176.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -71.49 168.92 16.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.561 0.219 . . . . 0.0 111.027 179.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.532 ' HB1' ' HD3' ' A' ' 107' ' ' PRO . . . -46.81 -53.52 25.46 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -171.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.532 ' HD3' ' HB1' ' A' ' 106' ' ' ALA . 36.4 Cg_exo -59.9 -50.23 8.15 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 121.927 1.752 . . . . 0.0 112.777 -177.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -74.19 -26.36 60.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.7 -175.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.5 tp -66.6 -49.4 66.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.366 0.603 . . . . 0.0 109.787 174.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 54.3 tp -58.32 -34.66 70.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.686 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -67.69 -44.24 78.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.645 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -65.85 -42.22 90.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.096 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.1 -40.06 86.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.49 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -66.07 -45.48 81.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.01 0.433 . . . . 0.0 110.4 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.3 tp -63.98 -30.7 71.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.343 -177.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.41 -45.2 24.9 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.618 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 48.8 t -75.29 -43.28 43.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.62 0.247 . . . . 0.0 110.853 -177.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 C--N 1.328 -0.342 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.387 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.504 0 N-CA-C 112.091 -0.404 . . . . 0.0 112.091 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.0 mt -65.89 116.87 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.911 0.386 . . . . 0.0 110.459 178.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.39 92.23 8.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.022 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 62' ' ' ASN . 96.3 m-85 -71.61 137.89 48.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.94 177.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.407 ' O ' HD13 ' A' ' 63' ' ' LEU . 51.9 mtt180 -77.09 156.28 31.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.805 -177.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -125.05 94.6 4.22 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 177.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.7 mt -145.39 167.17 23.58 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.165 -176.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.468 ' HB2' ' HG2' ' A' ' 15' ' ' GLU . 14.7 m -65.22 147.71 52.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 174.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.623 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 65.8 t80 -58.03 -52.71 72.48 Favored Pre-proline 0 CA--C 1.541 0.616 0 CA-C-O 119.4 -0.333 . . . . 0.0 111.873 -177.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.623 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 77.0 Cg_exo -51.04 -43.65 46.79 Favored 'Trans proline' 0 C--N 1.362 1.238 0 C-N-CA 122.333 2.022 . . . . 0.0 112.552 174.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.468 ' HG2' ' HB2' ' A' ' 12' ' ' SER . 40.2 mm-40 -59.63 -50.61 73.21 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.988 178.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.5 -36.72 84.7 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.082 -177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.2 tp -61.14 -47.2 87.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.545 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -56.19 -51.5 67.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.132 178.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -61.31 -37.9 84.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.128 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.08 -35.78 79.69 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.222 178.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -69.4 -41.42 76.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.871 0.367 . . . . 0.0 111.188 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.2 t -83.98 -48.93 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.98 -174.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -84.0 -32.18 25.08 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -172.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.675 ' OD2' ' HA ' ' A' ' 60' ' ' PHE . 11.7 t70 -135.5 -132.61 0.15 Allowed 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.551 -171.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.608 ' HG3' ' HG ' ' A' ' 26' ' ' LEU . 4.2 ptpt -151.1 -40.25 0.12 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.592 -171.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.608 ' HG ' ' HG3' ' A' ' 25' ' ' LYS . 96.0 mt -135.64 141.62 45.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.056 0.455 . . . . 0.0 110.801 -176.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.563 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 52.6 tp -95.57 115.5 27.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.979 178.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -90.98 107.98 19.55 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.568 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.87 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 38.3 t -99.22 123.1 51.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.948 0.404 . . . . 0.0 111.0 -176.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -99.68 105.03 16.81 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.208 176.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.2 m -110.3 142.44 41.93 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.289 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -152.91 167.0 30.56 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.466 -178.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.5 p -98.98 154.97 17.67 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.016 174.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.5 m -73.33 -16.18 61.37 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.203 0.525 . . . . 0.0 109.883 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -61.8 108.86 1.08 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.326 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 66.1 m 59.7 -159.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.527 0.517 . . . . 0.0 110.249 -178.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.07 75.46 0.41 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.314 -0.946 . . . . 0.0 112.246 175.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.55 -46.33 5.54 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.56 2.174 . . . . 0.0 111.984 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.6 t -81.12 -36.37 30.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.112 0.482 . . . . 0.0 109.732 176.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -60.24 -24.48 64.9 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.037 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -57.73 -47.24 83.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.056 175.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.1 mp -72.35 -31.55 65.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.499 -177.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.434 ' HA ' ' HB2' ' A' ' 47' ' ' PHE . 11.2 m -58.4 -29.78 66.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.121 0.486 . . . . 0.0 110.837 177.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.534 ' HB2' ' HZ2' ' A' ' 44' ' ' LYS . 4.2 ttmp? -69.56 -58.99 3.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.512 -177.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.5 t -110.78 -53.11 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -177.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 73.6 t -55.96 -49.98 72.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -173.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.434 ' HB2' ' HA ' ' A' ' 43' ' ' SER . 19.5 m-30 -73.37 1.81 8.89 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -175.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.631 ' HZ2' ' HB3' ' A' ' 48' ' ' LYS . 4.4 mmmp? -92.33 -11.12 35.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.706 0.288 . . . . 0.0 110.584 176.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -65.61 126.09 27.26 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.2 m -69.26 -35.38 76.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.645 -173.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.3 mt -69.21 -52.44 27.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.753 0.311 . . . . 0.0 111.228 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.491 HG23 ' HB1' ' A' ' 106' ' ' ALA . 78.2 t -62.91 -44.48 99.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.188 -178.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.93 -48.93 79.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.998 0.428 . . . . 0.0 110.375 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.53 -36.75 79.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.173 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -65.49 -59.27 4.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.108 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -64.51 -30.96 71.99 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -177.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -72.23 -44.47 62.86 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.7 ttp-105 -89.44 -34.96 16.27 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -175.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.484 ' O ' ' HE3' ' A' ' 25' ' ' LYS . 86.0 m-70 -88.83 -12.55 41.62 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -173.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.675 ' HA ' ' OD2' ' A' ' 24' ' ' ASP . 85.3 m-85 -148.14 176.1 10.49 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.439 HG23 ' CB ' ' A' ' 24' ' ' ASP . 82.1 t -111.59 117.55 55.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 171.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.427 ' HB2' ' CD1' ' A' ' 8' ' ' PHE . 4.3 p30 -97.18 132.71 42.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.458 0.647 . . . . 0.0 111.556 -177.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.407 HD13 ' O ' ' A' ' 9' ' ' ARG . 15.1 tp -136.29 129.61 31.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.709 -177.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.48 ' HD3' ' O ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -96.45 150.75 20.26 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.548 178.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 53.4 ttm -148.93 128.12 12.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.823 0.344 . . . . 0.0 110.842 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -70.81 155.71 40.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.712 173.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 43.1 ttm -94.01 -8.34 40.21 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.2 0.524 . . . . 0.0 110.706 -177.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -114.88 15.49 17.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.218 0.533 . . . . 0.0 110.361 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -149.76 151.82 34.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.328 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.01 46.68 90.72 Favored Glycine 0 CA--C 1.517 0.217 0 O-C-N 123.426 0.454 . . . . 0.0 113.826 172.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 67.84 15.61 9.61 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 122.751 0.42 . . . . 0.0 112.05 176.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.99 -32.72 81.21 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.152 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.77 -32.91 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.943 0.401 . . . . 0.0 110.487 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -67.86 -43.24 79.91 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.508 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 78.8 mt -66.49 -33.95 76.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.568 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -55.18 -50.11 70.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.514 176.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -74.16 -32.08 62.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.996 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -61.79 -49.16 77.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.271 -176.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -96.0 -4.19 43.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.402 -176.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.74 51.61 55.75 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.269 -0.491 . . . . 0.0 112.223 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.9 p -70.82 134.3 30.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.101 0.477 . . . . 0.0 111.368 -176.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -110.37 -6.92 14.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.847 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -110.17 -176.32 2.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.007 -176.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.545 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 94.0 m-85 -92.75 -47.0 0.31 Allowed Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -177.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.545 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 95.5 Cg_endo -92.56 147.32 2.76 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 121.871 1.714 . . . . 0.0 112.117 174.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.415 ' HG1' ' C ' ' A' ' 85' ' ' PRO . 22.6 m -151.66 128.29 10.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.733 0.302 . . . . 0.0 111.067 178.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.662 HD13 HD23 ' A' ' 100' ' ' LEU . 86.4 mt -109.08 130.54 55.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.976 0.417 . . . . 0.0 109.893 176.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.87 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 3.1 mm? -116.83 139.72 50.28 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.819 -175.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -114.9 106.14 13.82 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 176.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.563 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 46.2 mm -102.35 136.33 35.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.894 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.406 HD22 ' HG3' ' A' ' 95' ' ' GLU . 33.9 p30 -91.1 178.81 5.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.976 0.417 . . . . 0.0 110.951 -178.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 t -75.87 -13.94 60.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 -175.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.8 t -74.06 -21.36 59.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.44 177.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 97.19 29.9 7.7 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.149 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.406 ' HG3' HD22 ' A' ' 91' ' ' ASN . 8.6 pt-20 -142.59 167.34 22.33 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.6 p -84.84 137.16 21.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.254 0.55 . . . . 0.0 111.012 -176.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 12.9 p -95.69 -31.77 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.819 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -166.16 150.5 7.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.569 ' HD3' ' H ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -121.63 134.25 54.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 177.596 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.662 HD23 HD13 ' A' ' 87' ' ' LEU . 32.9 tp -111.2 114.21 27.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.387 -177.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 44.6 t -102.08 101.19 11.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.916 0.389 . . . . 0.0 110.065 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.56 135.06 8.61 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.923 -0.655 . . . . 0.0 111.691 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -127.05 141.89 51.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.937 0.399 . . . . 0.0 110.757 -176.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -100.58 -175.61 2.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.373 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -60.52 169.56 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.436 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.594 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -48.46 -55.42 19.24 Favored Pre-proline 0 CA--C 1.542 0.637 0 N-CA-C 113.372 0.878 . . . . 0.0 113.372 -173.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.594 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 24.1 Cg_exo -63.7 -46.27 9.34 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 121.872 1.715 . . . . 0.0 112.474 -178.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -67.92 -29.5 68.6 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.046 -177.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.7 tp -58.94 -55.84 29.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.92 0.391 . . . . 0.0 110.973 178.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 107' ' ' PRO . 3.1 pp -64.7 -31.17 72.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.289 -176.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -68.93 -51.23 42.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.236 0.541 . . . . 0.0 110.063 175.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -59.26 -38.78 80.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.677 -176.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.468 ' O ' HG22 ' A' ' 117' ' ' VAL . 12.2 p -70.61 -40.39 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.861 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -61.67 -49.19 77.51 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 120.804 0.335 . . . . 0.0 111.446 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.78 -24.8 59.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.022 0.439 . . . . 0.0 110.873 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -70.91 -50.08 25.41 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.629 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 113' ' ' VAL . 30.8 m -84.43 2.81 3.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.943 0.401 . . . . 0.0 110.914 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--O 1.233 0.197 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.395 177.914 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.488 ' HA2' ' O ' ' A' ' 47' ' ' PHE . . . . . . . . 0 N--CA 1.445 -0.734 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.541 HG22 ' HB1' ' A' ' 53' ' ' ALA . 9.9 pt -58.91 148.01 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.035 0.445 . . . . 0.0 111.942 -177.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -103.87 123.15 46.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.974 -170.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.681 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 90.3 m-85 -67.49 103.36 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.768 172.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -82.76 141.77 32.11 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -106.62 121.25 43.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.111 -169.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 44.0 mt -137.91 161.11 37.51 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.728 175.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.6 t -76.27 165.76 24.42 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.091 177.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.496 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 74.4 t80 -55.02 -53.02 66.12 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.055 -177.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 11.3 Cg_endo -55.41 -34.44 89.09 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.237 1.958 . . . . 0.0 112.769 178.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 19' ' ' ARG . 16.7 mm-40 -70.29 -53.68 15.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.87 178.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.89 -38.41 88.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.085 -177.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.0 tp -57.14 -54.01 51.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.534 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -64.86 -41.37 95.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.79 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -57.79 -45.91 85.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.685 -178.459 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.63 -31.14 67.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.917 0.389 . . . . 0.0 110.769 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -70.47 -46.16 64.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.631 -178.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.9 m -77.89 -31.11 16.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -174.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -90.9 -18.69 24.33 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.654 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.3 t70 55.53 76.95 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.731 0.777 . . . . 0.0 110.541 -175.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -142.35 151.79 42.26 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.412 177.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.12 112.43 9.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.291 0.567 . . . . 0.0 109.958 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.3 tp -75.11 128.27 35.13 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.493 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -113.59 104.31 12.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.574 176.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.704 HG23 HD22 ' A' ' 63' ' ' LEU . 56.1 t -98.67 117.62 43.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.429 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -79.77 99.02 7.27 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 173.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.611 ' HB3' ' SD ' ' A' ' 67' ' ' MET . 86.6 m -97.31 111.56 23.75 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 174.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -120.49 160.08 23.87 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.034 -172.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.726 ' HB ' ' CE3' ' A' ' 35' ' ' TRP . 17.5 p -100.72 148.58 24.73 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 167.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.7 t -76.77 11.1 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.847 0.356 . . . . 0.0 111.521 -174.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.726 ' CE3' ' HB ' ' A' ' 33' ' ' THR . 1.1 m-90 -66.02 83.08 0.08 Allowed 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 173.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 64.2 m 70.87 -52.58 0.68 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.837 0.855 . . . . 0.0 111.516 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.39 82.7 1.09 Allowed Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.38 -38.39 90.63 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.82 2.347 . . . . 0.0 112.424 -176.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.7 p -67.56 -20.15 65.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.701 -178.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -65.16 -54.02 36.12 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.942 0.401 . . . . 0.0 110.144 176.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 41' ' ' ARG . 20.5 ttt180 -63.33 -37.95 89.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.391 179.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.602 ' O ' HG22 ' A' ' 46' ' ' VAL . 95.6 mt -62.36 -46.52 88.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.755 177.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.4 t -53.17 -34.21 55.94 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 122.699 0.4 . . . . 0.0 111.572 -176.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.85 -35.63 81.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.993 -177.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 51.4 t -108.69 -46.81 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -172.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 42' ' ' LEU . 16.6 m -77.14 -21.93 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -170.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.488 ' O ' ' HA2' ' A' ' 5' ' ' GLY . 28.1 m-85 -113.92 24.67 11.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.855 0.36 . . . . 0.0 111.276 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -88.84 -30.52 18.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.94 -175.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -72.0 135.09 46.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.968 -177.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.9 t -68.24 -41.71 80.79 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.557 -175.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.2 mt -68.9 -49.55 57.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.748 0.308 . . . . 0.0 110.822 -177.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 96.3 t -59.79 -45.24 94.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.704 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.541 ' HB1' HG22 ' A' ' 6' ' ' ILE . . . -57.58 -50.83 71.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.812 -176.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -63.99 -50.86 66.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.449 -177.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -61.9 -46.41 89.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.976 -177.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -67.91 -51.55 46.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.249 -175.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.494 ' HB2' HG23 ' A' ' 6' ' ' ILE . 12.6 t30 -68.8 -30.81 69.46 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -171.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 58' ' ' ARG . 45.1 mtm180 -86.75 -24.81 24.98 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.281 -0.568 . . . . 0.0 112.384 -177.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -91.98 -39.36 11.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.909 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -110.37 117.35 33.39 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.6 t -73.38 115.99 15.06 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.414 -175.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.75 110.17 16.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.167 0.508 . . . . 0.0 110.291 -179.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.704 HD22 HG23 ' A' ' 29' ' ' VAL . 52.7 tp -114.7 142.81 46.0 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.66 178.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.681 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 29.6 ttmt -116.05 121.01 40.94 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 84.1 mtp -138.75 150.78 46.49 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.798 0.332 . . . . 0.0 110.444 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -90.86 158.92 16.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.307 0.575 . . . . 0.0 110.629 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.611 ' SD ' ' HB3' ' A' ' 31' ' ' CYS . 53.1 mtm -115.01 5.17 14.91 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.582 178.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -114.34 -40.28 3.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.627 175.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -118.87 150.51 39.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.171 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 74.41 54.3 6.22 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.94 -0.648 . . . . 0.0 113.133 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 64.89 21.03 12.27 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.062 0.458 . . . . 0.0 111.221 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.51 -32.31 71.37 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.679 -177.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 29.6 m -59.66 -33.75 52.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.755 0.312 . . . . 0.0 111.25 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -67.04 -44.64 79.66 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 178.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.4 -47.32 86.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.66 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -54.68 -47.96 72.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.625 -177.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -76.48 -30.86 57.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.691 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -71.39 -41.33 69.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.275 -173.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.545 ' HA ' ' NH1' ' A' ' 99' ' ' ARG . 50.1 m-85 -102.35 6.32 40.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.528 -174.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 61.21 58.26 14.35 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.606 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.596 HG21 ' SD ' ' A' ' 67' ' ' MET . 67.3 t -73.67 117.86 18.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.122 0.486 . . . . 0.0 110.893 -178.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -134.99 35.09 3.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.963 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -149.76 -177.1 5.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.012 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.867 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 63.8 m-85 -92.16 -56.17 0.25 Allowed Pre-proline 0 C--N 1.327 -0.411 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.662 176.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.867 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 8.8 Cg_endo -90.96 118.29 0.58 Allowed 'Trans proline' 0 N--CA 1.449 -1.1 0 C-N-CA 122.369 2.046 . . . . 0.0 111.252 170.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.539 ' HB ' ' HB2' ' A' ' 31' ' ' CYS . 6.5 m -116.14 121.14 41.26 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.887 0.375 . . . . 0.0 110.528 -178.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.63 HD11 ' HB3' ' A' ' 103' ' ' ALA . 5.9 mp -97.93 108.99 21.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.192 -175.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.556 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 3.9 mm? -95.79 130.62 42.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.157 0.503 . . . . 0.0 111.254 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -120.35 105.02 10.5 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.731 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.7 mp -118.08 140.08 42.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.49 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -82.83 172.02 13.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.575 -178.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.2 m -62.48 -18.91 62.9 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.941 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.4 m -89.07 2.5 53.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.227 -178.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 82.47 0.72 90.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.368 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -91.88 159.82 15.59 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.3 m -90.91 137.05 22.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.152 0.501 . . . . 0.0 110.758 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 42.9 t -96.42 -55.33 6.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.914 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -141.52 144.01 34.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.686 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.545 ' NH1' ' HA ' ' A' ' 79' ' ' TYR . 47.2 mtt180 -108.91 141.02 41.59 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 177.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.448 HD21 HD21 ' A' ' 87' ' ' LEU . 45.0 tp -152.46 111.23 3.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.159 0.504 . . . . 0.0 111.862 -175.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.507 HG13 HG21 ' A' ' 86' ' ' THR . 25.1 m -101.15 128.35 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.793 172.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.72 135.71 8.99 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.537 -176.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.63 ' HB3' HD11 ' A' ' 87' ' ' LEU . . . -118.67 143.23 46.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.901 0.381 . . . . 0.0 111.473 -174.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.463 ' HB3' ' HB2' ' A' ' 108' ' ' GLU . 70.3 mm-40 -105.1 -175.34 2.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.294 176.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.447 ' OD2' ' HD2' ' A' ' 107' ' ' PRO . 1.2 p-10 -75.9 173.36 11.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.8 175.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.536 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -51.56 -50.87 74.45 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -172.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.536 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 43.3 Cg_exo -58.2 -46.41 25.37 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.857 1.704 . . . . 0.0 112.473 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.463 ' HB2' ' HB3' ' A' ' 104' ' ' GLU . 31.0 mm-40 -71.91 -27.9 63.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.082 -179.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 45.0 tp -60.08 -57.56 12.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.036 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.7 mt -60.92 -31.77 71.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.578 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.449 ' O ' ' HG ' ' A' ' 115' ' ' LEU . 23.1 tptm -62.37 -52.05 65.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.414 177.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -69.54 -37.77 77.22 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -175.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 35.5 m -64.36 -39.75 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.223 0 CA-C-N 118.096 0.407 . . . . 0.0 111.173 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -67.61 -34.47 77.06 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.268 176.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 97.4 mt -73.48 -33.27 64.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.052 0.454 . . . . 0.0 110.768 178.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -69.24 -42.04 76.96 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.859 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 32.4 m -90.27 -19.36 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 122.721 -0.282 . . . . 0.0 111.015 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 C--O 1.234 0.256 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.365 -174.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.053 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.0 mt -80.96 115.62 23.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.82 118.63 30.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.669 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.637 ' HE2' ' HE2' ' A' ' 47' ' ' PHE . 96.6 m-85 -91.34 141.34 28.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.549 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.582 ' HG2' ' O ' ' A' ' 62' ' ' ASN . 19.4 ptp180 -103.69 121.03 42.12 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.151 0.501 . . . . 0.0 109.666 177.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -87.56 101.82 13.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.177 0.513 . . . . 0.0 111.03 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.8 mt -125.33 165.24 18.72 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.385 174.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.405 ' HB2' ' HG2' ' A' ' 15' ' ' GLU . 3.0 m -67.31 154.61 40.91 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 173.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.437 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 89.8 t80 -53.86 -54.56 45.29 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-O 119.694 -0.193 . . . . 0.0 111.357 -178.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 19.5 Cg_endo -59.7 -38.17 82.76 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 121.96 1.773 . . . . 0.0 112.526 176.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.405 ' HG2' ' HB2' ' A' ' 12' ' ' SER . 55.3 mm-40 -60.14 -51.55 69.12 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.091 0.472 . . . . 0.0 111.066 178.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.61 -35.0 76.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.93 -177.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.5 tp -63.45 -41.38 98.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.455 0.645 . . . . 0.0 109.448 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -60.56 -45.59 93.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.406 176.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -58.71 -41.74 87.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.919 175.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.66 -32.93 73.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.053 0.454 . . . . 0.0 110.936 177.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -67.65 -50.07 59.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.1 t -73.88 -43.41 52.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.722 -174.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -78.5 -17.73 55.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.936 -178.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.2 t70 67.35 21.23 9.84 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.505 0.669 . . . . 0.0 111.306 173.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -109.57 165.21 11.84 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.055 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -74.9 143.11 43.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.677 -177.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.605 ' HB3' HG21 ' A' ' 90' ' ' ILE . 60.4 tp -90.58 113.97 26.11 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.776 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -90.94 106.0 18.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.326 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.633 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 39.5 t -93.3 110.43 23.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 120.929 0.395 . . . . 0.0 110.81 -176.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -91.06 107.87 19.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.09 176.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.9 m -116.59 113.51 22.82 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.105 176.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -129.93 155.42 46.09 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.075 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.06 157.66 16.59 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 176.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.8 p -57.48 -28.43 63.38 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -176.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 13.7 m-90 -67.97 102.63 1.32 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.958 0.408 . . . . 0.0 109.933 175.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.7 m -90.65 110.64 21.8 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -176.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.15 -94.83 0.72 Allowed Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.726 178.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.56 ' HG2' ' HG3' ' A' ' 85' ' ' PRO . 13.0 Cg_endo -57.82 -28.35 81.98 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 123.003 2.469 . . . . 0.0 112.499 177.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.6 t -64.68 -27.37 68.87 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.554 178.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -70.22 -42.15 72.67 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -60.16 -45.59 92.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.245 0.545 . . . . 0.0 109.682 176.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.561 HD13 ' HB1' ' A' ' 103' ' ' ALA . 45.7 tp -56.98 -51.98 67.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.928 178.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.684 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 21.1 m -66.57 -31.14 71.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.416 -177.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -66.32 -36.62 83.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.51 -176.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.592 HG13 HG23 ' A' ' 46' ' ' VAL . 13.1 p -105.31 -45.55 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -173.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.592 HG23 HG13 ' A' ' 45' ' ' VAL . 61.7 t -79.17 -43.16 24.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.072 -175.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.684 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 8.2 m-85 -80.28 38.73 0.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -171.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.479 ' HB2' ' HZ2' ' A' ' 48' ' ' LYS . 3.7 ttmp? -134.42 -10.63 2.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.079 0.466 . . . . 0.0 110.555 173.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.426 ' OD1' ' HG ' ' A' ' 51' ' ' LEU . 12.1 t70 -85.41 131.86 34.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.921 -175.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.1 t -70.92 -55.53 8.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.8 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.426 ' HG ' ' OD1' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -70.87 -39.32 72.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.806 -170.585 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 82.3 t -63.15 -45.45 98.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.856 0.36 . . . . 0.0 110.291 177.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.37 -45.93 88.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -59.68 -44.42 93.64 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.642 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -55.32 -50.44 69.6 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.048 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -68.19 -49.16 62.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.12 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.521 ' HA ' ' ND2' ' A' ' 62' ' ' ASN . 64.7 t30 -62.03 -30.07 70.71 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.838 0.351 . . . . 0.0 111.533 -175.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -80.98 -46.19 15.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.698 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -87.2 -21.98 25.55 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -173.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -128.13 134.55 49.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.511 HG23 HD13 ' A' ' 27' ' ' LEU . 3.8 m -83.57 110.28 18.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.305 0.574 . . . . 0.0 109.684 174.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.582 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 41.3 m-80 -80.59 103.45 10.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.174 -172.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.409 ' HG ' ' HG3' ' A' ' 65' ' ' MET . 58.1 tp -99.83 127.99 45.95 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.748 -178.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -93.32 117.51 30.17 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.419 176.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.409 ' HG3' ' HG ' ' A' ' 63' ' ' LEU . 86.7 mtp -127.75 112.99 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.084 0.469 . . . . 0.0 110.604 177.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.552 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 4.4 m-20 -68.37 136.06 52.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.432 179.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 50.6 mtt -74.22 -15.57 60.99 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.259 0.552 . . . . 0.0 111.116 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -114.49 36.39 3.8 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.095 0.95 . . . . 0.0 109.626 -174.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.592 ' HG2' ' H ' ' A' ' 70' ' ' GLY . 77.4 tttt -105.84 -179.74 4.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.027 -1.442 . . . . 0.0 110.126 -176.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.592 ' H ' ' HG2' ' A' ' 69' ' ' LYS . . . -58.69 -31.32 67.22 Favored Glycine 0 C--N 1.334 0.451 0 C-N-CA 121.684 -0.293 . . . . 0.0 112.906 179.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.529 ' O ' HD23 ' A' ' 75' ' ' LEU . 2.9 mp0 -107.43 7.43 28.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.023 0.44 . . . . 0.0 110.173 176.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.95 -46.1 68.89 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.962 -0.637 . . . . 0.0 113.342 -172.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.3 m -69.2 -22.64 26.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.503 0.192 . . . . 0.0 110.813 -175.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.64 -54.9 24.53 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 174.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.529 HD23 ' O ' ' A' ' 71' ' ' GLU . 2.5 mm? -58.39 -36.0 72.87 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.655 178.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.44 ' HG2' ' CG2' ' A' ' 81' ' ' VAL . 12.0 mtp180 -58.62 -44.37 89.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.644 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -76.5 -41.3 47.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.042 0.448 . . . . 0.0 110.459 178.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -57.8 -49.21 77.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.256 -176.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -104.01 2.94 32.84 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.846 -176.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 53.31 63.89 4.67 Favored Glycine 0 C--N 1.333 0.412 0 CA-C-N 115.528 -0.76 . . . . 0.0 113.03 176.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.462 HG13 HG21 ' A' ' 86' ' ' THR . 19.3 m -83.36 143.35 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-O 121.085 0.469 . . . . 0.0 110.895 -177.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -137.37 -22.03 1.15 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.312 176.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.1 176.82 6.82 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 174.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.575 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 36.1 m-85 -91.15 -49.19 0.34 Allowed Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.575 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 98.6 Cg_endo -90.05 110.04 0.41 Allowed 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 121.508 1.472 . . . . 0.0 112.212 174.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.462 HG21 HG13 ' A' ' 81' ' ' VAL . 37.8 m -131.71 118.28 19.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.923 0.392 . . . . 0.0 110.691 -179.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.529 HD13 HD21 ' A' ' 100' ' ' LEU . 82.6 mt -109.07 143.36 38.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.536 -175.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.633 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 3.0 mm? -128.63 141.81 51.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.882 0.373 . . . . 0.0 111.485 -177.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -115.99 114.87 25.2 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.241 174.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.605 HG21 ' HB3' ' A' ' 27' ' ' LEU . 15.3 tt -130.03 145.68 35.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.918 0.389 . . . . 0.0 111.41 -173.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -80.88 169.74 17.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.917 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -63.7 -27.07 68.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.171 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 p -81.89 -7.43 59.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.537 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.584 ' HA2' HD11 ' A' ' 90' ' ' ILE . . . 90.32 32.81 9.2 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.305 -0.95 . . . . 0.0 112.082 -177.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -104.28 130.67 52.09 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.471 -0.196 . . . . 0.0 110.471 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.2 t -86.71 114.53 26.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 27.3 m -88.86 -28.1 5.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.14 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -165.54 138.26 4.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.139 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.517 ' H ' ' HD2' ' A' ' 99' ' ' ARG . 0.8 OUTLIER -112.12 140.51 46.75 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 175.534 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.529 HD21 HD13 ' A' ' 87' ' ' LEU . 33.0 tp -124.73 126.79 46.23 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.012 0.434 . . . . 0.0 110.997 -176.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 49.1 t -124.03 109.91 24.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.784 177.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.12 158.26 19.77 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.475 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.561 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -145.41 115.06 7.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.077 0.465 . . . . 0.0 111.534 -174.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -100.94 -174.9 2.73 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.064 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.24 162.93 3.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 177.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.574 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -47.63 -54.24 24.44 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -172.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.574 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 25.4 Cg_exo -62.67 -38.58 49.29 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.689 1.593 . . . . 0.0 111.953 -179.165 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -69.11 -44.51 72.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.571 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 37.6 tp -60.14 -50.56 73.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.978 178.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.463 ' HA ' HG23 ' A' ' 113' ' ' VAL . 54.0 tp -60.23 -37.33 80.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.07 179.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.454 ' O ' HD22 ' A' ' 115' ' ' LEU . 26.1 tptp -60.66 -45.52 93.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.006 0.432 . . . . 0.0 109.995 178.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -61.0 -53.91 51.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.528 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.463 HG23 ' HA ' ' A' ' 110' ' ' LEU . 17.9 m -67.88 -34.63 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.212 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.916 -175.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.532 ' O ' ' HB2' ' A' ' 118' ' ' GLU . 23.5 ttmm -63.43 -39.8 95.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.783 0.325 . . . . 0.0 110.891 -179.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.454 HD22 ' O ' ' A' ' 111' ' ' LYS . 4.5 mm? -75.71 -12.6 60.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.978 0.418 . . . . 0.0 110.983 178.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -91.58 -44.53 4.25 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.383 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 62.4 t -84.15 -43.64 17.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -176.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.532 ' HB2' ' O ' ' A' ' 114' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.235 0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 111.574 -177.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.545 0 CA-C-O 121.096 0.276 . . . . 0.0 113.545 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.45 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 64.9 mt -81.21 121.1 34.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.014 0.435 . . . . 0.0 110.214 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.83 103.19 15.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.597 -177.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.73 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 64.2 m-85 -83.72 119.42 24.77 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.039 178.265 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -83.53 119.11 24.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.761 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -80.98 97.0 7.28 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.14 -178.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.461 HD21 ' HG2' ' A' ' 15' ' ' GLU . 94.5 mt -122.38 167.32 13.43 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.063 -178.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.451 ' OG ' ' HB2' ' A' ' 15' ' ' GLU . 49.7 p -82.39 176.69 9.23 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 176.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -57.84 -56.97 29.07 Favored Pre-proline 0 CA--C 1.54 0.564 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.49 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -64.33 -36.69 43.98 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 121.794 1.663 . . . . 0.0 112.279 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.461 ' HG2' HD21 ' A' ' 11' ' ' LEU . 6.4 tp10 -58.9 -49.58 77.24 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.786 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.88 99.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.435 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 17' ' ' LEU . 1.3 tm? -61.22 -49.77 75.78 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -60.9 -40.87 94.72 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.899 177.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.458 ' HA ' HG21 ' A' ' 22' ' ' VAL . 10.3 tpp180 -60.98 -43.66 98.5 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.045 -178.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.501 ' HA ' HG22 ' A' ' 61' ' ' VAL . . . -62.67 -35.63 80.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.918 0.389 . . . . 0.0 110.793 178.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -76.14 -43.33 43.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.471 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.458 HG21 ' HA ' ' A' ' 19' ' ' ARG . 35.9 m -69.46 -29.8 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -175.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -94.51 -16.7 23.09 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.165 174.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.9 t70 56.19 71.66 0.55 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.294 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HB2' HG21 ' A' ' 61' ' ' VAL . 96.8 mttt -143.05 174.55 10.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.603 -177.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.441 HD12 ' HE1' ' A' ' 60' ' ' PHE . 91.2 mt -81.27 135.24 35.71 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 176.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.5 tp -90.65 113.04 25.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.781 -176.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -99.47 108.42 20.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.347 176.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.607 HG11 ' HG ' ' A' ' 31' ' ' CYS . 31.3 t -99.7 113.39 34.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.519 -177.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -87.14 109.67 19.61 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 175.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.607 ' HG ' HG11 ' A' ' 29' ' ' VAL . 62.4 m -110.39 111.87 23.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.849 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.447 ' O ' ' HB2' ' A' ' 67' ' ' MET . 45.4 p90 -123.14 154.11 39.09 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.844 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.707 ' HB ' ' HD1' ' A' ' 35' ' ' TRP . 12.6 p -99.63 160.39 14.33 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.149 0.5 . . . . 0.0 110.917 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.06 11.54 6.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.189 -177.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.707 ' HD1' ' HB ' ' A' ' 33' ' ' THR . 35.2 m95 -76.11 -74.84 0.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.062 -175.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.8 m -119.31 -164.04 1.02 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -177.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.09 61.92 0.63 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.411 -0.9 . . . . 0.0 113.233 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -66.62 -26.49 46.28 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.208 1.938 . . . . 0.0 110.888 175.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.2 m -68.71 -26.79 65.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.513 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -67.88 -44.86 76.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.786 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -63.62 -36.99 85.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.208 176.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.0 tp -60.37 -41.55 93.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.296 175.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.644 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 25.8 m -65.89 -30.39 70.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.334 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -59.3 -45.22 91.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.042 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.7 t -97.67 -51.29 10.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.009 -174.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.9 t -76.92 -46.61 29.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -171.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.644 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 5.0 m-85 -74.7 10.87 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -172.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -104.18 -17.7 14.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.9 0.381 . . . . 0.0 110.485 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.573 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 9.2 t70 -72.25 127.67 33.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.062 -178.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.2 m -69.63 -32.1 70.59 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.509 -177.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.6 tp -72.05 -50.19 30.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.051 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.573 ' CG2' ' HB3' ' A' ' 49' ' ' ASP . 19.6 m -57.21 -39.2 65.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.98 0.419 . . . . 0.0 111.71 -175.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.64 -52.89 63.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.316 178.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.63 -34.18 76.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.437 0.636 . . . . 0.0 109.96 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.434 ' O ' ' HB2' ' A' ' 59' ' ' HIS . 42.5 t80 -54.19 -58.72 6.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.623 -1.171 . . . . 0.0 110.56 177.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -76.98 -50.01 14.15 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -176.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -60.64 -33.65 73.1 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -171.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -89.55 -42.73 11.26 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.434 ' HB2' ' O ' ' A' ' 55' ' ' TYR . 58.5 m-70 -82.34 -30.56 30.31 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -173.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.441 ' HE1' HD12 ' A' ' 26' ' ' LEU . 67.6 m-85 -122.44 166.03 15.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.933 0.397 . . . . 0.0 111.35 -173.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.501 HG22 ' HA ' ' A' ' 20' ' ' ALA . 62.1 t -95.19 110.22 23.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 173.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -92.98 111.14 22.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.907 0.384 . . . . 0.0 110.54 -176.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.428 HD22 HG12 ' A' ' 29' ' ' VAL . 50.9 tp -109.89 136.94 48.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.24 -176.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.73 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 56.7 tttm -114.7 122.11 45.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.982 175.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 85.3 mtp -136.27 158.48 44.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.475 0.178 . . . . 0.0 110.584 178.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.95 156.13 17.06 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.25 0.548 . . . . 0.0 110.762 177.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.476 ' SD ' ' HB3' ' A' ' 31' ' ' CYS . 4.8 tpt -95.23 -21.39 18.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.123 -0.944 . . . . 0.0 112.766 -166.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -113.98 93.8 4.53 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.825 0.821 . . . . 0.0 109.852 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.403 ' HG2' ' H ' ' A' ' 71' ' ' GLU . 21.8 ttmm -163.3 160.99 24.44 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 113.874 -1.512 . . . . 0.0 107.478 -177.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -53.49 -39.9 60.94 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.114 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.403 ' H ' ' HG2' ' A' ' 69' ' ' LYS . 2.4 mp0 -80.4 -37.39 32.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.667 0.27 . . . . 0.0 110.819 177.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.88 -43.74 98.79 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.819 -178.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.0 p -67.24 -28.63 43.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.871 0.367 . . . . 0.0 110.562 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -69.3 -46.02 68.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.184 0.516 . . . . 0.0 109.907 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 82.8 mt -67.25 -34.72 78.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.592 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -60.44 -39.15 86.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.213 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -76.33 -36.2 58.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.445 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -63.12 -38.53 91.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.7 -174.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -109.63 -9.16 14.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.287 -176.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.2 26.81 73.72 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.409 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.584 ' HB ' HG21 ' A' ' 86' ' ' THR . 15.7 m -86.67 102.57 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 CA-C-O 121.573 0.702 . . . . 0.0 111.009 -177.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -123.88 77.0 1.49 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.605 0.717 . . . . 0.0 110.553 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.82 -163.36 1.61 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.218 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.887 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 25.4 m-85 -107.92 -58.31 0.05 OUTLIER Pre-proline 0 C--N 1.322 -0.609 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.166 176.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.887 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 15.3 Cg_endo -94.8 105.34 0.12 Allowed 'Trans proline' 0 N--CA 1.445 -1.372 0 C-N-CA 122.245 1.963 . . . . 0.0 110.784 169.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.584 HG21 ' HB ' ' A' ' 81' ' ' VAL . 23.8 m -117.73 122.79 44.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.003 0.43 . . . . 0.0 111.685 -174.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.1 mp -104.04 111.4 23.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.556 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.52 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 40.0 tp -109.84 123.33 49.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.8 -176.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -104.27 114.32 28.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.188 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.476 HG22 ' O ' ' A' ' 91' ' ' ASN . 56.0 mt -123.4 145.86 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.454 -176.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.542 ' HB2' ' HB2' ' A' ' 95' ' ' GLU . 84.6 m-20 -74.74 167.78 21.14 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 173.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.9 p -68.48 -36.54 79.1 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.698 -172.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 t -80.53 -8.52 59.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.075 0.464 . . . . 0.0 110.699 -178.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 101.17 70.14 0.88 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.525 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.542 ' HB2' ' HB2' ' A' ' 91' ' ' ASN . 49.0 mt-10 -138.2 144.26 40.59 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.515 -0.179 . . . . 0.0 110.515 178.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.9 t -77.99 113.92 17.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.671 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.5 HG12 HG13 ' A' ' 117' ' ' VAL . 31.0 t -92.08 -61.5 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.406 178.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -146.09 138.11 25.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.234 -175.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -110.94 113.62 26.32 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.564 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 48.9 tp -120.33 127.57 52.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.069 0.461 . . . . 0.0 111.227 -174.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.1 t -109.04 116.21 51.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.267 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.95 157.47 29.28 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.149 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -125.91 141.55 51.93 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -123.48 -179.46 4.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.754 -174.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.97 155.82 15.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.606 ' HB2' ' HD3' ' A' ' 107' ' ' PRO . . . -49.04 -56.58 14.83 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -172.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.606 ' HD3' ' HB2' ' A' ' 106' ' ' ALA . 27.3 Cg_exo -62.23 -35.93 71.53 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.674 1.582 . . . . 0.0 112.191 -178.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -74.08 -40.75 62.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.436 -178.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.437 ' O ' HG23 ' A' ' 113' ' ' VAL . 27.3 tp -65.51 -48.83 71.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.325 178.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 106' ' ' ALA . 96.5 mt -52.86 -40.37 63.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.667 177.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -66.21 -42.01 89.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.5 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -65.58 -38.11 88.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.218 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 109' ' ' LEU . 89.6 t -63.67 -52.4 57.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.628 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -63.4 -40.14 96.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 111.174 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 61.4 tp -66.9 -40.95 87.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.383 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -81.31 -44.64 7.9 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.497 -0.858 . . . . 0.0 113.316 -175.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.5 HG13 HG12 ' A' ' 97' ' ' VAL . 59.0 t -81.43 -48.36 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -173.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 121.261 0.553 . . . . 0.0 111.448 -175.228 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.924 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.61 HG23 ' HB3' ' A' ' 47' ' ' PHE . 2.3 tp -96.78 142.29 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.635 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.91 88.72 3.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.286 0.565 . . . . 0.0 111.097 -176.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 62' ' ' ASN . 96.4 m-85 -65.39 145.42 56.18 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.916 174.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.452 ' O ' HD13 ' A' ' 63' ' ' LEU . 33.5 mmt180 -83.77 115.12 22.06 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 175.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' C ' HD11 ' A' ' 11' ' ' LEU . 24.1 mt-10 -94.18 91.53 6.82 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.555 0.693 . . . . 0.0 109.298 178.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.415 HD11 ' C ' ' A' ' 10' ' ' GLU . 6.1 mp -140.04 168.48 19.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.059 -174.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.4 m -62.02 151.75 34.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.226 175.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.495 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 82.1 t80 -54.95 -52.74 68.33 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -176.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 11.5 Cg_endo -55.13 -37.88 93.85 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.252 1.968 . . . . 0.0 112.707 178.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.601 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 55.5 mm-40 -66.73 -47.38 72.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.341 179.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.99 -45.36 90.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.919 0.39 . . . . 0.0 111.057 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.8 tp -63.41 -44.59 94.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.013 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -55.28 -47.4 75.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.529 177.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.601 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 11.9 mmt180 -63.24 -39.95 96.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.028 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.71 -46.6 78.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.808 0.337 . . . . 0.0 110.482 176.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -54.57 -45.4 73.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.438 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.0 t -85.91 -54.49 8.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -173.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -93.53 -29.35 15.56 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -167.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.442 ' HB3' HG22 ' A' ' 61' ' ' VAL . 6.8 t70 -125.74 -143.99 0.31 Allowed 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.0 -0.68 . . . . 0.0 111.437 -173.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HE3' ' HB3' ' A' ' 25' ' ' LYS . 5.8 ptpp? -129.24 -40.0 1.49 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -170.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.7 mt -142.33 166.16 25.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.794 0.331 . . . . 0.0 110.6 -176.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.546 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 55.6 tp -116.83 112.71 21.48 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.271 179.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -92.8 106.58 18.53 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.414 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.76 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 39.0 t -97.96 110.55 25.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.069 0.461 . . . . 0.0 111.134 -175.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -86.65 111.67 20.88 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.597 174.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.622 ' HG ' HG12 ' A' ' 29' ' ' VAL . 73.2 m -111.52 113.23 25.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.135 0.493 . . . . 0.0 109.992 178.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -124.25 156.51 36.74 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.438 0.637 . . . . 0.0 110.921 -175.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.437 ' C ' ' H ' ' A' ' 35' ' ' TRP . 22.4 m -101.95 159.47 15.33 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.549 171.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.7 t -65.65 2.82 0.87 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.181 0.515 . . . . 0.0 111.557 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.437 ' H ' ' C ' ' A' ' 33' ' ' THR . 58.7 t-105 -59.5 125.51 23.92 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.235 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.6 p -83.2 27.72 0.56 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.268 -0.423 . . . . 0.0 112.005 -174.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.01 -113.06 3.66 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.644 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.49 ' HB2' ' HG3' ' A' ' 85' ' ' PRO . 72.7 Cg_exo -50.45 -38.61 53.9 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.673 2.915 . . . . 0.0 113.809 -177.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 70.1 m -59.7 -33.87 72.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.776 0.322 . . . . 0.0 111.475 -178.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -79.99 -43.71 21.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.899 0.381 . . . . 0.0 110.678 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -62.7 -37.41 86.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.639 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.479 HD11 ' HB1' ' A' ' 103' ' ' ALA . 60.4 tp -57.01 -44.08 82.45 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.965 178.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.0 m -70.98 -30.78 67.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -82.08 -28.41 32.36 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -175.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.1 t -95.0 -54.24 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.541 -0.463 . . . . 0.0 111.566 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.65 HG11 HD22 ' A' ' 109' ' ' LEU . 47.9 t -83.82 -58.69 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.881 -173.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.61 ' HB3' HG23 ' A' ' 6' ' ' ILE . 25.0 m-85 -78.57 -11.27 59.95 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -169.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -77.65 -23.82 49.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.078 0.466 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -73.25 128.61 35.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.039 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.1 m -57.62 -42.61 83.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.842 -176.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.1 mp -71.54 -42.33 68.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.732 0.301 . . . . 0.0 110.922 -177.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.5 t -69.76 -45.35 77.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.388 -178.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.79 -46.02 88.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.969 0.414 . . . . 0.0 110.578 177.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.37 -40.49 96.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.401 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -59.61 -48.74 80.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.662 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -66.24 -42.9 87.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.221 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.584 ' HB2' HD13 ' A' ' 6' ' ' ILE . 25.8 t-20 -61.48 -39.76 92.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.81 -177.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.803 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 1.3 mmp_? -89.04 -23.76 22.49 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -176.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -87.88 -23.2 24.02 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.166 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -150.9 167.22 28.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.442 HG22 ' HB3' ' A' ' 24' ' ' ASP . 78.3 t -85.66 120.55 35.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 171.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.522 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.8 OUTLIER -84.84 119.77 25.7 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.83 -176.034 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 9' ' ' ARG . 46.1 tp -114.68 138.08 51.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.143 179.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.452 ' HB2' ' CB ' ' A' ' 8' ' ' PHE . 37.0 ttmt -105.75 127.98 53.42 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 177.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.468 ' HG2' HD23 ' A' ' 75' ' ' LEU . 55.3 tpp -137.95 136.82 37.36 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.836 -178.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.426 ' O ' ' HA3' ' A' ' 72' ' ' GLY . 18.6 t70 -87.12 156.26 19.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 176.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 13.1 mmt -78.34 -15.54 58.62 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.746 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -119.14 -55.95 2.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.539 -177.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.404 ' HD2' ' HA ' ' A' ' 69' ' ' LYS . 44.1 tptt -88.82 162.58 16.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.709 -175.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . 73.42 29.0 64.66 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.342 178.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 0.8 OUTLIER 68.62 20.09 8.4 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.837 0.351 . . . . 0.0 110.618 -177.756 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.426 ' HA3' ' O ' ' A' ' 66' ' ' ASP . . . -55.24 -32.41 57.23 Favored Glycine 0 C--N 1.333 0.404 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.879 178.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.4 p -59.32 -29.83 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-O 120.658 0.266 . . . . 0.0 111.293 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.42 -42.72 78.52 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.468 HD23 ' HG2' ' A' ' 65' ' ' MET . 6.7 mp -72.11 -40.34 68.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.244 178.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -56.03 -45.62 79.09 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.508 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -71.04 -34.48 71.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.333 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -67.33 -41.82 84.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.883 -172.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.401 ' CE2' HD11 ' A' ' 88' ' ' LEU . 52.5 m-85 -105.12 8.39 34.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.302 -173.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 59.8 35.2 85.72 Favored Glycine 0 C--N 1.332 0.316 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.93 175.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.433 HG21 ' OG1' ' A' ' 86' ' ' THR . 7.4 p -94.96 129.86 44.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.139 0.495 . . . . 0.0 111.002 -176.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -113.22 -3.23 13.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.877 176.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.21 173.05 12.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.373 -175.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.715 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 81.7 m-85 -92.33 -50.21 0.29 Allowed Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.828 -177.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.715 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 88.9 Cg_endo -94.81 133.15 0.63 Allowed 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 122.132 1.888 . . . . 0.0 111.923 173.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.433 ' OG1' HG21 ' A' ' 81' ' ' VAL . 40.1 m -150.94 129.4 12.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.091 0.472 . . . . 0.0 111.622 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.452 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 7.2 mp -104.72 116.14 31.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.018 178.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.76 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 92.0 mt -106.19 133.95 50.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.705 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.411 ' CZ ' HG23 ' A' ' 113' ' ' VAL . 41.5 m-85 -113.31 106.33 14.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.207 -179.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.546 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 36.9 mm -107.49 136.81 41.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.194 -176.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 35.1 p30 -90.66 176.68 6.58 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 174.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.0 m -62.91 -18.37 62.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.821 0.343 . . . . 0.0 111.491 -177.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.9 t -77.89 -15.63 58.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.046 0.451 . . . . 0.0 110.473 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 89.88 20.2 44.29 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.693 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -120.29 163.68 17.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.661 0.267 . . . . 0.0 110.407 -177.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.2 m -93.53 142.16 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.092 0.472 . . . . 0.0 111.799 -176.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 31.3 m -105.68 -24.25 4.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.329 173.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -161.68 147.62 13.78 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.693 -177.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -123.56 126.08 46.02 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 176.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.452 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 50.4 tp -114.55 109.17 17.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.022 0.439 . . . . 0.0 110.78 -179.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 61.2 t -95.94 113.66 30.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.307 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.22 -155.87 16.01 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.479 ' HB1' HD11 ' A' ' 42' ' ' LEU . . . -150.61 149.18 29.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.066 0.46 . . . . 0.0 111.497 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -115.18 179.35 3.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.113 175.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -80.21 174.94 11.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 174.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.569 ' HB2' ' HD3' ' A' ' 107' ' ' PRO . . . -53.79 -54.98 40.43 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -172.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.569 ' HD3' ' HB2' ' A' ' 106' ' ' ALA . 24.2 Cg_exo -63.22 -44.32 15.55 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 121.781 1.654 . . . . 0.0 112.826 -177.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -74.62 -27.29 60.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.989 -176.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.65 HD22 HG11 ' A' ' 46' ' ' VAL . 17.8 tp -64.83 -47.01 79.54 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 178.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.442 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 10.5 mp -56.61 -38.0 71.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.435 175.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -63.04 -45.9 90.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.375 178.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -58.47 -46.44 86.61 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.951 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 109' ' ' LEU . 43.5 t -67.57 -43.81 86.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.823 -179.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 110' ' ' LEU . 39.1 tttm -64.19 -46.12 85.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.096 -175.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 87.5 mt -76.51 -18.87 58.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.909 0.385 . . . . 0.0 110.704 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -75.91 -31.05 56.66 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.253 178.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 33.5 m -99.19 0.21 10.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.024 0.44 . . . . 0.0 110.9 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.122 179.039 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.669 ' HA2' ' O ' ' A' ' 47' ' ' PHE . . . . . . . . 0 N--CA 1.446 -0.678 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.971 HG13 ' HA ' ' A' ' 47' ' ' PHE . 52.3 mt -68.49 125.81 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 117.22 0.51 . . . . 0.0 110.361 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.49 83.4 6.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.886 0.374 . . . . 0.0 111.093 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.617 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 17.2 m-85 -71.36 121.34 18.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.911 174.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.486 ' O ' HD11 ' A' ' 63' ' ' LEU . 28.7 mtt180 -94.48 124.15 38.34 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.837 -174.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -100.63 95.3 6.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.516 0.674 . . . . 0.0 111.285 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -110.69 169.03 9.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.63 177.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.7 m -67.36 146.89 53.62 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 175.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.476 ' HB2' ' HE1' ' A' ' 65' ' ' MET . 81.1 t80 -57.05 -55.03 48.29 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -174.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 17.7 Cg_endo -57.85 -40.38 79.04 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.891 1.727 . . . . 0.0 112.034 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -63.21 -49.6 73.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.41 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.14 -37.65 88.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.892 -177.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.9 tp -65.16 -42.91 93.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.487 0.661 . . . . 0.0 109.962 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -57.87 -50.33 73.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.002 175.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -58.95 -46.08 88.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.503 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.65 -39.51 68.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 111.386 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.45 ' HA ' ' OG ' ' A' ' 92' ' ' SER . 37.3 tt0 -70.08 -45.47 66.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.914 -178.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.2 m -75.66 -28.07 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.942 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -77.83 -18.73 55.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.9 t70 59.26 50.79 7.46 Favored 'General case' 0 N--CA 1.46 0.056 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.644 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HB3' ' HA ' ' A' ' 60' ' ' PHE . 43.7 mmtm -137.13 153.6 50.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.801 -178.303 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.727 ' HB2' ' HB3' ' A' ' 60' ' ' PHE . 88.8 mt -64.01 141.71 58.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.134 175.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.572 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 61.0 tp -92.33 101.2 13.68 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.406 ' CZ ' HD21 ' A' ' 87' ' ' LEU . 88.4 t80 -92.51 107.29 19.1 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.007 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.602 HG23 HD23 ' A' ' 63' ' ' LEU . 38.4 t -102.68 124.21 56.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.021 -176.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -99.92 117.84 35.08 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.264 175.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 75.9 m -122.52 111.76 17.21 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 173.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -112.53 154.36 26.06 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.106 0.479 . . . . 0.0 111.368 -174.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.46 ' C ' ' H ' ' A' ' 35' ' ' TRP . 35.7 m -100.27 149.05 23.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.107 175.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.8 p -70.93 16.42 0.09 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.46 ' H ' ' C ' ' A' ' 33' ' ' THR . 8.0 t90 -67.21 -23.32 65.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.278 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.9 m 59.78 29.71 19.27 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.327 175.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.47 -108.24 1.54 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.213 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.94 -31.38 81.51 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.758 2.305 . . . . 0.0 112.494 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 76.5 m -55.72 -48.02 75.89 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.811 0.339 . . . . 0.0 111.536 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -75.36 -37.0 60.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.819 0.342 . . . . 0.0 110.821 -174.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -71.07 -33.23 70.04 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.579 178.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.775 HD11 HD21 ' A' ' 109' ' ' LEU . 43.8 tp -63.0 -45.34 92.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.071 0.462 . . . . 0.0 109.807 174.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.715 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 33.8 m -61.04 -30.7 70.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.9 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -78.73 -22.19 46.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.371 -177.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.528 HG13 ' HB2' ' A' ' 106' ' ' ALA . 65.7 t -108.29 -53.92 6.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -174.04 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.505 HG12 ' O ' ' A' ' 42' ' ' LEU . 8.7 p -79.76 -31.13 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.489 -171.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.971 ' HA ' HG13 ' A' ' 6' ' ' ILE . 10.0 m-85 -68.75 -29.01 67.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.267 0.556 . . . . 0.0 110.21 178.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -70.18 -25.78 63.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.792 -174.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -89.62 107.92 19.37 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.471 -177.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.0 m -69.43 -31.0 69.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.321 -177.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.73 -44.7 85.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 0.0 110.33 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.4 t -68.65 -38.49 79.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.561 177.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.427 ' CB ' HG12 ' A' ' 6' ' ' ILE . . . -57.56 -50.73 72.14 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 177.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -34.73 78.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.239 179.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -59.75 -48.4 81.81 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.346 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -61.14 -55.44 32.34 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.648 177.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -61.07 -30.57 70.42 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -174.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -68.54 -46.76 68.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.747 0.308 . . . . 0.0 110.951 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -81.98 -31.46 31.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.009 -173.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.727 ' HB3' ' HB2' ' A' ' 26' ' ' LEU . 9.0 p90 -155.4 157.96 37.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.212 0.53 . . . . 0.0 111.787 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.8 m -80.72 133.69 28.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.858 -177.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.431 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -92.75 106.86 18.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.615 -178.866 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.602 HD23 HG23 ' A' ' 29' ' ' VAL . 45.1 tp -110.19 128.53 55.53 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.113 -178.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.617 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 26.4 ttpp -113.02 126.92 56.01 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.229 177.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.476 ' HE1' ' HB2' ' A' ' 13' ' ' PHE . 79.1 mtp -136.77 113.75 10.51 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -66.94 155.67 37.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.309 -174.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 61.3 mtt -78.77 -10.15 59.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.293 175.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -113.21 21.6 15.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.769 0.795 . . . . 0.0 109.49 175.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -93.05 158.94 15.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.699 174.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.31 -56.44 23.38 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.308 -0.473 . . . . 0.0 113.195 -176.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -75.97 -12.42 60.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.032 0.444 . . . . 0.0 110.737 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.16 -31.14 75.77 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.618 -178.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 35.6 m -55.54 -38.53 49.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -177.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -73.31 -45.13 57.2 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.322 -178.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 46.4 mt -62.73 -41.5 99.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.172 0.511 . . . . 0.0 110.499 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.621 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 51.9 ttp180 -57.09 -47.15 81.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.249 179.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.453 ' HE2' ' HB3' ' A' ' 77' ' ' LYS . 31.3 ttpt -74.23 -35.15 63.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.78 -178.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -80.79 -48.24 12.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.345 -170.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -92.2 -9.45 42.26 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -171.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.3 84.26 1.79 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.296 -0.954 . . . . 0.0 113.318 174.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.621 ' HB ' ' HG3' ' A' ' 76' ' ' ARG . 7.5 p -64.85 141.08 18.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.203 0.525 . . . . 0.0 110.655 174.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -137.22 -91.7 0.24 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.853 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.438 ' HA ' HG23 ' A' ' 33' ' ' THR . . . -174.73 22.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.701 0.762 . . . . 0.0 109.873 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.611 ' HB3' ' HD2' ' A' ' 85' ' ' PRO . 9.8 m-85 -128.94 -179.45 1.0 Allowed Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.125 -170.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.611 ' HD2' ' HB3' ' A' ' 84' ' ' TYR . 58.4 Cg_endo -79.33 116.06 3.55 Favored 'Trans proline' 0 N--CA 1.449 -1.136 0 C-N-CA 121.612 1.541 . . . . 0.0 110.835 165.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.4 m -95.33 105.55 17.51 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.87 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.621 HD12 HD22 ' A' ' 100' ' ' LEU . 43.6 mt -94.12 115.65 27.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.434 0.635 . . . . 0.0 109.91 -177.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.545 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 60.7 mt -111.58 123.71 50.78 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.386 -172.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -102.14 110.97 23.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.745 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.572 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 65.3 mt -113.98 138.71 42.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.782 -179.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -76.39 167.65 21.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.017 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.45 ' OG ' ' HA ' ' A' ' 21' ' ' GLU . 48.0 t -65.47 -26.75 68.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.72 175.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.2 m -77.96 1.79 19.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.322 179.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.96 26.55 62.07 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.423 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -113.14 144.62 42.35 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 -178.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.6 m -78.04 128.71 38.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.86 0.362 . . . . 0.0 110.232 176.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.4 p -106.75 -43.15 6.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -142.14 131.53 23.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.11 0.481 . . . . 0.0 110.465 177.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -108.21 119.93 40.89 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.464 175.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.621 HD22 HD12 ' A' ' 87' ' ' LEU . 50.3 tp -116.04 106.5 13.83 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.172 0.51 . . . . 0.0 110.642 -179.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.9 m -103.38 101.68 12.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.327 0.584 . . . . 0.0 109.976 174.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.89 164.41 10.11 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.121 -177.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.469 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -160.27 118.97 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.884 0.373 . . . . 0.0 110.91 -178.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -100.33 -175.16 2.85 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.45 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -54.8 151.98 7.78 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.579 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -44.42 -54.72 11.5 Favored Pre-proline 0 N--CA 1.476 0.827 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -169.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.579 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 40.1 Cg_exo -58.97 -36.54 96.64 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.978 1.786 . . . . 0.0 112.711 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -74.12 -38.52 63.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.801 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.775 HD21 HD11 ' A' ' 42' ' ' LEU . 50.7 tp -62.46 -53.86 48.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.032 0.444 . . . . 0.0 110.29 176.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 62.2 tp -54.62 -36.29 64.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.828 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -67.15 -41.55 85.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.495 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.6 -34.25 77.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.788 177.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.421 HG21 ' O ' ' A' ' 109' ' ' LEU . 98.9 t -59.89 -42.47 89.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.24 175.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -61.55 -41.42 97.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.03 -17.14 63.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.051 177.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -91.31 -43.36 4.65 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.652 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.444 ' O ' ' HB2' ' A' ' 118' ' ' GLU . 64.8 t -67.74 -33.83 64.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-O 120.295 0.093 . . . . 0.0 111.16 -178.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 117' ' ' VAL . 28.4 mm-40 . . . . . 0 C--O 1.233 0.228 0 CA-C-O 121.394 0.616 . . . . 0.0 111.18 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.609 0 N-CA-C 112.711 -0.156 . . . . 0.0 112.711 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.545 HG12 ' HA ' ' A' ' 53' ' ' ALA . 40.6 mt -75.07 141.74 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.12 106.82 14.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.796 0.332 . . . . 0.0 110.776 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.726 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 83.8 m-85 -91.95 133.21 35.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.24 177.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 62' ' ' ASN . 13.8 ptp180 -101.32 137.55 39.51 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.925 0.393 . . . . 0.0 110.217 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -94.12 94.47 8.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.821 -174.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.455 ' O ' HD13 ' A' ' 63' ' ' LEU . 95.0 mt -127.93 161.74 28.39 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.282 -178.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.9 m -70.29 160.72 31.7 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 175.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.416 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 74.1 t80 -58.63 -56.13 38.86 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.596 -177.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 18.9 Cg_endo -59.94 -34.26 95.26 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 121.974 1.783 . . . . 0.0 111.943 178.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -63.05 -48.73 77.43 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.385 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.33 -42.37 88.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.484 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.3 tp -57.6 -52.62 64.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.613 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -56.3 -48.26 77.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.784 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -59.49 -40.82 88.27 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.761 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 25' ' ' LYS . . . -69.43 -30.74 68.73 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.877 -178.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.89 -47.27 78.42 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.05 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.5 m -73.53 -26.19 21.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.576 -177.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -84.3 -15.14 47.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.574 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.5 t70 55.94 70.04 0.68 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.679 0.752 . . . . 0.0 110.139 -173.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.521 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 36.5 ttmt -155.77 153.39 29.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.701 -175.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.2 mp -88.02 159.0 18.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.914 0.387 . . . . 0.0 111.195 -176.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.571 ' HB2' ' HB ' ' A' ' 90' ' ' ILE . 3.3 mm? -94.19 122.77 37.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.173 -178.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -109.52 102.11 11.0 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 172.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.443 ' HB ' ' HB3' ' A' ' 88' ' ' LEU . 39.7 t -100.94 120.52 50.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.631 -176.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -105.18 128.56 53.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.996 0.427 . . . . 0.0 110.227 175.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.539 ' HB2' ' HB ' ' A' ' 86' ' ' THR . 71.1 m -124.03 111.53 16.1 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.254 175.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -107.74 157.93 17.71 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 m -99.79 163.54 12.42 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.267 -178.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.8 p -73.48 -22.32 60.19 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -174.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -65.96 160.71 22.94 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.312 178.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.9 p -91.3 173.43 7.92 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.025 -177.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.06 -109.52 1.82 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.363 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.87 -29.1 61.83 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.387 2.725 . . . . 0.0 113.266 -178.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.4 m -61.16 -58.23 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.055 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -63.86 -31.15 72.23 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.992 0.425 . . . . 0.0 110.791 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -56.79 -42.32 79.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.58 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.426 ' O ' HG23 ' A' ' 46' ' ' VAL . 94.1 mt -75.89 -43.58 44.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.506 176.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.628 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 50.5 m -51.98 -30.67 26.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.962 -178.29 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -88.99 -46.29 8.99 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.585 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 83.9 t -81.35 -54.18 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -170.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 42' ' ' LEU . 33.4 m -83.1 -21.61 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.276 -0.57 . . . . 0.0 111.536 -174.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.628 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 83.1 m-85 -91.68 32.4 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.178 0.513 . . . . 0.0 111.052 177.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -129.83 -59.28 1.07 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.635 173.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -53.19 117.61 3.16 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.844 0.715 . . . . 0.0 111.694 -172.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.3 p -69.19 -29.57 67.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.668 -174.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.8 mt -71.0 -48.34 53.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.34 . . . . 0.0 110.466 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.47 -46.9 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.221 175.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.545 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -60.37 -39.49 87.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.37 179.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.96 -45.61 88.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.736 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -61.06 -47.13 87.8 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.152 -176.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -70.43 -48.58 55.29 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -60.11 -30.81 69.51 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.767 0.317 . . . . 0.0 111.38 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.7 ttm-85 -88.21 -53.5 4.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.266 -0.425 . . . . 0.0 112.132 -176.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -84.69 -19.62 32.52 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -169.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -129.6 161.86 29.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.079 0.466 . . . . 0.0 111.498 -175.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.8 t -95.92 110.11 23.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 170.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.508 ' HB3' ' CD1' ' A' ' 8' ' ' PHE . 34.7 m-80 -82.78 104.0 12.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.885 -173.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 11' ' ' LEU . 54.4 tp -100.19 126.82 46.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.523 -178.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.726 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 64.0 tttm -99.28 122.24 42.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.454 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.483 ' HB2' ' HG ' ' A' ' 31' ' ' CYS . 12.6 mmt -132.04 123.54 27.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.968 178.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.56 ' HB2' ' HB3' ' A' ' 69' ' ' LYS . 4.0 m-20 -92.32 149.27 21.53 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.532 175.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 24.7 mmt -67.36 -20.41 65.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.057 0.456 . . . . 0.0 111.201 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -115.85 14.73 16.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.615 -176.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.56 ' HB3' ' HB2' ' A' ' 66' ' ' ASP . 81.0 tttt -129.28 129.06 44.43 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 120.799 0.333 . . . . 0.0 110.628 -175.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.44 -131.39 38.16 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.374 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 1.8 mp0 -90.63 8.86 32.11 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.013 -0.094 . . . . 0.0 111.092 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' A' ' 66' ' ' ASP . . . -55.16 -40.6 75.45 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 121.416 -0.421 . . . . 0.0 112.759 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.47 -36.71 77.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.772 0.32 . . . . 0.0 110.997 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -71.31 -37.73 71.78 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 92.6 mt -61.8 -39.54 92.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.886 0.374 . . . . 0.0 110.24 177.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -57.88 -44.97 87.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.547 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -76.59 -29.49 56.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.939 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -68.62 -49.71 57.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.075 -177.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.441 ' CZ ' HD23 ' A' ' 88' ' ' LEU . 85.3 m-85 -96.72 -4.19 41.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.313 -174.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 60.27 41.2 98.24 Favored Glycine 0 C--N 1.332 0.306 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.6 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.468 HG13 HG21 ' A' ' 86' ' ' THR . 26.9 m -78.48 139.33 18.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.803 0.335 . . . . 0.0 110.81 -177.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -127.82 9.05 6.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.679 -176.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.452 ' CB ' ' HB ' ' A' ' 101' ' ' VAL . . . -101.56 179.75 4.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.473 0.177 . . . . 0.0 110.697 -177.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.783 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 68.2 m-85 -90.76 -51.48 0.32 Allowed Pre-proline 0 C--O 1.237 0.402 0 CA-C-O 119.52 -0.276 . . . . 0.0 111.071 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.783 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 11.4 Cg_endo -93.24 137.55 1.38 Allowed 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 122.569 2.179 . . . . 0.0 110.978 170.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.539 ' HB ' ' HB2' ' A' ' 31' ' ' CYS . 2.2 m -133.75 114.5 13.47 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.459 -176.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.7 mp -103.97 111.71 24.38 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.443 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 16.4 tp -116.81 135.49 53.7 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.044 -173.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -109.06 109.36 20.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.386 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.571 ' HB ' ' HB2' ' A' ' 27' ' ' LEU . 48.6 mm -104.89 130.54 55.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.102 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -100.42 -178.42 3.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.983 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.3 m -65.14 -19.65 66.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.095 -175.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.2 m -78.18 0.53 24.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.97 0.414 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 73.45 30.87 61.7 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.274 177.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -143.22 -179.29 6.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.537 0.208 . . . . 0.0 110.681 -178.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 10.2 p -108.93 151.75 11.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.252 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 45.1 t -107.22 -48.25 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 174.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -126.69 125.61 42.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.476 178.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -91.53 126.86 36.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.832 175.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.9 tt -126.47 112.11 15.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.193 0.521 . . . . 0.0 110.283 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.452 ' HB ' ' CB ' ' A' ' 83' ' ' ALA . 30.7 m -109.64 140.42 28.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.161 176.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.55 171.05 27.97 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.86 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.414 ' HB1' HD21 ' A' ' 42' ' ' LEU . . . -145.35 161.15 40.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.834 0.317 . . . . 0.0 111.07 -178.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.636 ' HG3' ' HD3' ' A' ' 112' ' ' LYS . 29.1 mm-40 -129.64 -174.01 3.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.866 -175.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.423 ' OD1' ' HD2' ' A' ' 107' ' ' PRO . 5.8 t70 -65.26 162.9 16.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 170.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.83 -57.01 17.75 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -171.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.423 ' HD2' ' OD1' ' A' ' 105' ' ' ASP . 28.6 Cg_endo -62.98 -39.53 39.88 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.995 1.796 . . . . 0.0 112.799 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -70.42 -38.48 74.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.342 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 41.0 tp -58.74 -49.19 78.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.232 0.539 . . . . 0.0 109.767 178.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 40.9 tp -58.86 -35.38 72.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.93 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -65.06 -52.28 56.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.337 177.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.636 ' HD3' ' HG3' ' A' ' 104' ' ' GLU . 49.1 mtpt -63.81 -38.0 89.47 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -172.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 27.2 m -69.47 -44.63 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.301 0 CA-C-O 120.407 0.146 . . . . 0.0 111.235 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -67.42 -35.22 78.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.071 0.462 . . . . 0.0 111.25 178.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 50.5 tp -66.78 -39.16 87.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.41 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -66.36 -36.04 91.06 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.889 -178.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 34.3 m -92.92 -0.74 10.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -176.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 . . . . . 0 N--CA 1.467 0.413 0 O-C-N 123.455 0.472 . . . . 0.0 111.381 -178.642 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.686 0 CA-C-O 120.992 0.218 . . . . 0.0 112.987 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.518 HG12 ' HA ' ' A' ' 53' ' ' ALA . 62.8 mt -91.12 135.74 26.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.74 0.305 . . . . 0.0 110.516 -177.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.65 108.46 20.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.025 0.44 . . . . 0.0 111.148 -178.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -93.15 152.84 19.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.098 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -117.76 152.61 34.95 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.178 177.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -98.61 94.68 6.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.662 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.489 ' O ' HD12 ' A' ' 63' ' ' LEU . 92.8 mt -139.94 164.41 30.09 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 p -89.47 174.44 7.79 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 172.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.506 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 69.7 t80 -59.75 -52.52 73.24 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.249 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 15.7 Cg_endo -57.5 -35.69 98.81 Favored 'Trans proline' 0 C--N 1.359 1.119 0 C-N-CA 122.377 2.051 . . . . 0.0 112.417 176.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.19 -42.5 88.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.96 0.409 . . . . 0.0 111.089 178.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.452 ' HB2' HD22 ' A' ' 63' ' ' LEU . . . -70.92 -35.25 72.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.612 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.5 tp -67.26 -36.56 81.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.377 0.608 . . . . 0.0 109.878 177.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.59 ' HE2' ' HA ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -55.95 -52.31 64.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.743 172.436 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -58.59 -36.38 73.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.861 176.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.37 -35.74 76.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.653 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -69.18 -37.27 78.09 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.483 177.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.2 t -73.72 -56.5 9.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.519 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -77.34 -30.25 53.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.59 -175.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.9 t70 60.38 37.6 19.96 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 122.339 1.066 . . . . 0.0 109.038 -175.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . 35.8 ttmt -112.37 151.8 29.36 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.429 -1.259 . . . . 0.0 109.322 -176.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 98.5 mt -66.88 145.71 55.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.899 0.381 . . . . 0.0 110.879 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.432 ' HB2' HG21 ' A' ' 90' ' ' ILE . 3.1 mm? -96.4 130.44 43.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.818 -176.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -113.4 103.05 10.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.277 175.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.6 ' HB ' ' HB3' ' A' ' 88' ' ' LEU . 37.3 t -103.11 111.94 34.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.051 0.453 . . . . 0.0 110.858 -177.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -84.08 116.5 22.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.012 176.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.472 ' HB3' ' HE1' ' A' ' 67' ' ' MET . 82.2 m -114.06 113.3 24.56 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 177.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -111.37 149.3 31.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.33 -173.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.446 ' C ' ' H ' ' A' ' 35' ' ' TRP . 30.4 m -100.88 152.54 20.41 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 169.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.8 p -73.07 15.0 0.23 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.451 ' HD1' ' HD2' ' A' ' 38' ' ' PRO . 62.4 t-105 -75.92 129.56 37.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.455 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 54.1 t -89.92 115.63 27.38 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.228 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 160.55 -98.11 0.16 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.357 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.451 ' HD2' ' HD1' ' A' ' 35' ' ' TRP . 78.3 Cg_exo -50.7 -30.49 29.16 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.735 2.957 . . . . 0.0 113.277 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.1 p -57.95 -41.28 82.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.359 . . . . 0.0 111.232 178.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -72.42 -37.96 68.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.119 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -59.78 -40.31 87.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.339 178.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.621 HD13 ' HB2' ' A' ' 103' ' ' ALA . 43.5 tp -70.41 -55.75 8.3 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.533 177.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.555 ' HA ' ' CD2' ' A' ' 47' ' ' PHE . 13.9 t -59.25 -30.99 68.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.865 -173.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -65.01 -33.98 77.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -176.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.579 HG22 HG13 ' A' ' 46' ' ' VAL . 4.8 m -108.75 -52.75 6.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -175.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.635 HG12 ' HA ' ' A' ' 106' ' ' ALA . 15.7 m -74.61 -26.2 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -169.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.555 ' CD2' ' HA ' ' A' ' 43' ' ' SER . 22.6 m-85 -101.66 18.06 21.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.091 0.472 . . . . 0.0 109.975 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -123.49 -34.63 3.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.279 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.422 ' OD2' ' HB2' ' A' ' 51' ' ' LEU . 32.1 t70 -72.99 121.65 20.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.038 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.8 m -69.74 -25.69 63.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.994 -175.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.422 ' HB2' ' OD2' ' A' ' 49' ' ' ASP . 79.8 mt -70.3 -51.13 32.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.964 0.412 . . . . 0.0 110.412 -178.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 84.2 t -63.02 -42.18 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.119 176.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.518 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -58.31 -51.43 69.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.625 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -57.61 -42.44 83.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.159 -178.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -59.46 -48.68 80.7 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.225 -178.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -74.6 -41.67 60.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.824 -177.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -57.95 -30.79 66.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.884 0.373 . . . . 0.0 111.34 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.0 ttm105 -88.52 -51.95 5.43 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -89.53 -11.08 43.85 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -168.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -130.81 146.69 52.32 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.402 -176.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.2 t -87.41 109.79 19.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 169.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -84.07 110.16 18.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.372 0.606 . . . . 0.0 111.259 -172.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 11' ' ' LEU . 58.5 tp -118.56 143.09 47.01 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.855 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -117.21 132.45 56.63 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.343 175.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.9 tpt -129.97 135.82 48.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.819 0.342 . . . . 0.0 111.287 -175.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -69.18 159.85 32.21 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.947 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.472 ' HE1' ' HB3' ' A' ' 31' ' ' CYS . 43.3 tpp -98.69 -18.47 18.02 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.229 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -114.73 -51.12 2.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.451 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -73.84 131.53 41.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.969 -175.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.31 -147.99 21.88 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.592 -178.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -89.39 18.6 5.1 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 122.572 -0.369 . . . . 0.0 110.926 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -57.64 -36.96 80.96 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 121.149 -0.548 . . . . 0.0 112.28 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 32.3 m -65.15 -25.57 37.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.011 0.434 . . . . 0.0 111.147 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -75.29 -48.36 23.61 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.92 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.4 mp -60.1 -39.1 84.98 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.729 176.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.816 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 55.8 ttp180 -58.77 -43.43 90.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.02 0.438 . . . . 0.0 110.773 178.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.571 ' HZ1' ' HB2' ' A' ' 77' ' ' LYS . 5.1 ttmp? -74.64 -30.21 61.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.13 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -74.84 -44.5 48.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.558 -175.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -95.68 -0.19 51.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.374 -175.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.7 58.67 8.06 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.343 178.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.816 ' HB ' ' HG3' ' A' ' 76' ' ' ARG . 84.7 t -92.64 113.43 27.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.036 0.446 . . . . 0.0 111.217 -176.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -120.17 -22.13 6.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.673 174.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.89 177.25 8.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.562 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.701 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 22.8 m-85 -92.49 -53.18 0.27 Allowed Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -172.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.701 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 32.8 Cg_endo -93.69 105.6 0.15 Allowed 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 122.179 1.919 . . . . 0.0 111.823 176.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.8 m -118.79 121.7 40.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.95 0.405 . . . . 0.0 110.874 -177.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.5 mp -103.84 119.9 39.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.908 -177.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.6 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 1.3 tt -105.52 121.93 44.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.353 -177.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -111.39 118.82 36.88 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 175.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.432 HG21 ' HB2' ' A' ' 27' ' ' LEU . 13.5 tt -135.83 154.33 34.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.449 -178.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -105.34 177.89 4.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.772 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.4 t -62.25 -28.72 69.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.437 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.0 t -68.98 -22.51 64.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.058 0.456 . . . . 0.0 110.527 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 87.35 23.39 40.48 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.627 -0.797 . . . . 0.0 111.786 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -109.71 149.22 30.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.921 0.391 . . . . 0.0 110.124 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.528 HG13 ' HG3' ' A' ' 99' ' ' ARG . 21.5 t -96.4 107.7 20.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.573 -177.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.4 t -71.62 -50.17 41.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 177.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -151.9 136.42 16.91 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.283 0.563 . . . . 0.0 110.952 178.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.528 ' HG3' HG13 ' A' ' 96' ' ' VAL . 13.5 mtm180 -96.98 155.07 16.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.701 174.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 42.8 tp -135.46 107.23 7.01 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.02 0.438 . . . . 0.0 110.445 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.0 m -105.49 101.64 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.705 0.764 . . . . 0.0 110.705 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 117.85 151.49 9.24 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.233 -176.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.621 ' HB2' HD13 ' A' ' 42' ' ' LEU . . . -140.67 129.04 22.5 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 122.556 -0.379 . . . . 0.0 110.908 -174.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -102.47 -175.12 2.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.38 -176.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.05 164.96 3.61 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.978 178.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.635 ' HA ' HG12 ' A' ' 46' ' ' VAL . . . -48.22 -56.45 14.04 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -173.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -61.9 -42.32 31.71 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.863 1.709 . . . . 0.0 112.551 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -65.49 -43.07 91.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 -178.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.4 tp -64.86 -47.1 79.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.362 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 48.0 tp -53.98 -49.85 67.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.054 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -70.56 -35.75 73.25 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.046 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -57.57 -42.78 83.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.026 0.441 . . . . 0.0 110.833 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.502 ' O ' HG21 ' A' ' 117' ' ' VAL . 87.9 t -69.67 -47.31 71.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -63.59 -45.37 90.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.273 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 34.5 tp -71.48 -22.6 61.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.17 0.51 . . . . 0.0 110.498 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.6 -19.2 79.95 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.097 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.502 HG21 ' O ' ' A' ' 113' ' ' VAL . 23.1 t -97.8 -51.04 10.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.933 0.397 . . . . 0.0 110.559 178.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -177.277 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' A' ' 47' ' ' PHE . . . . . . . . 0 N--CA 1.448 -0.517 0 N-CA-C 112.003 -0.439 . . . . 0.0 112.003 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.52 ' CD1' ' HA ' ' A' ' 53' ' ' ALA . 28.2 mm -59.75 131.41 24.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 177.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -103.43 88.95 3.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.124 176.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.748 ' HB3' ' HB3' ' A' ' 64' ' ' LYS . 53.7 m-85 -74.07 118.31 16.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.299 178.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -97.66 155.61 16.92 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.453 -177.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.39 114.27 17.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.828 0.823 . . . . 0.0 111.667 -179.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.485 ' HG ' ' HB3' ' A' ' 16' ' ' ALA . 1.4 pt? -137.47 165.85 25.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.24 -0.891 . . . . 0.0 108.899 176.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.4 m -57.54 138.7 54.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.31 0.381 . . . . 0.0 110.765 -177.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.606 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 68.7 t80 -50.26 -52.32 55.17 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.123 -177.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.606 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 71.2 Cg_exo -49.98 -43.32 42.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 C-N-CA 122.261 1.974 . . . . 0.0 112.789 174.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -68.34 -43.94 76.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.326 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.485 ' HB3' ' HG ' ' A' ' 11' ' ' LEU . . . -67.02 -41.92 85.79 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.034 -176.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.443 HD12 ' HA2' ' A' ' 94' ' ' GLY . 19.8 tp -62.08 -43.45 98.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.305 0.574 . . . . 0.0 110.069 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -62.95 -43.55 98.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.626 176.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.404 ' HA ' HG22 ' A' ' 22' ' ' VAL . 20.0 tpp180 -61.02 -39.41 89.67 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.894 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.424 ' HB2' ' HG ' ' A' ' 27' ' ' LEU . . . -62.81 -40.51 97.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.022 0.439 . . . . 0.0 110.527 176.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -67.16 -45.49 76.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.198 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.404 HG22 ' HA ' ' A' ' 19' ' ' ARG . 35.4 m -72.41 -25.71 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.857 0.361 . . . . 0.0 111.174 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -84.42 -13.71 51.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 110.392 177.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 65.0 29.35 12.26 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.908 -178.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -126.96 176.31 7.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.956 0.408 . . . . 0.0 110.404 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.444 ' HG ' ' HA ' ' A' ' 91' ' ' ASN . 7.3 mp -101.39 157.53 16.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.285 179.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.489 HD22 ' HB ' ' A' ' 61' ' ' VAL . 72.9 mt -89.03 115.18 26.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.43 178.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.407 ' CZ ' HD11 ' A' ' 87' ' ' LEU . 79.3 t80 -90.81 101.27 14.02 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 172.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.847 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 48.6 t -93.87 113.59 28.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.249 -172.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -79.78 100.98 8.21 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.429 174.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.6 t -103.07 113.29 26.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.455 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -140.1 152.87 46.49 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.19 -177.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.85 155.23 17.49 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.0 m -71.26 -4.75 27.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.063 0.458 . . . . 0.0 111.637 -174.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -74.96 131.36 40.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.908 176.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.4 t -81.05 114.44 19.92 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.412 ' HA3' ' HD2' ' A' ' 38' ' ' PRO . . . -152.55 -131.77 1.71 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.074 -179.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.412 ' HD2' ' HA3' ' A' ' 37' ' ' GLY . 10.1 Cg_endo -54.82 -24.42 38.32 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.353 2.702 . . . . 0.0 112.905 -179.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.4 p -60.12 -30.36 69.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.59 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -62.89 -28.99 70.42 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.833 0.349 . . . . 0.0 110.503 -178.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -73.89 -43.2 59.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.912 177.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.607 ' O ' HG12 ' A' ' 46' ' ' VAL . 58.5 tp -62.56 -48.45 79.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.449 178.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.479 ' HA ' ' CD2' ' A' ' 47' ' ' PHE . 22.3 m -57.65 -29.21 64.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.247 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -75.23 -29.03 60.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.727 -177.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.3 m -100.27 -49.19 11.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -175.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 42' ' ' LEU . 14.1 p -74.04 -26.74 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.945 0.402 . . . . 0.0 111.791 -171.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.479 ' CD2' ' HA ' ' A' ' 43' ' ' SER . 48.0 m-85 -91.47 15.63 11.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.521 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -125.25 -41.86 2.03 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.635 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.416 ' OD2' HG22 ' A' ' 52' ' ' VAL . 26.3 t70 -73.96 118.04 16.45 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.019 0.438 . . . . 0.0 111.02 -177.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.5 m -69.52 -26.28 64.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.91 -175.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.9 tp -69.85 -49.18 55.03 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.586 HG21 HD12 ' A' ' 110' ' ' LEU . 97.5 t -62.06 -39.65 84.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.143 176.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.52 ' HA ' ' CD1' ' A' ' 6' ' ' ILE . . . -56.72 -45.71 81.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.154 178.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -72.41 -41.2 66.5 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.952 0.406 . . . . 0.0 110.798 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -56.53 -52.45 64.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.339 -176.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -75.16 -30.63 60.79 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -178.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -72.14 -40.7 67.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.67 0.271 . . . . 0.0 111.6 -177.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -81.27 -37.34 28.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.599 -174.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -81.25 -36.61 29.72 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -175.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -129.35 163.29 26.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.957 0.408 . . . . 0.0 111.098 -175.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.489 ' HB ' HD22 ' A' ' 27' ' ' LEU . 46.1 t -85.75 122.01 37.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 174.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -81.12 100.48 9.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.207 0.527 . . . . 0.0 110.578 -176.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.483 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 47.9 tp -119.21 125.74 49.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.201 -178.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.748 ' HB3' ' HB3' ' A' ' 8' ' ' PHE . 13.6 ptmm? -103.73 141.9 35.28 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 176.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 18.7 mmt -137.2 129.29 29.32 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.737 0.303 . . . . 0.0 110.426 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.563 ' O ' ' HA3' ' A' ' 72' ' ' GLY . 2.2 t70 -73.51 157.68 36.31 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 176.394 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.476 ' HE2' ' HG3' ' A' ' 76' ' ' ARG . 87.0 mtp -94.55 -12.32 27.78 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.058 -178.121 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -115.59 -42.68 3.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.791 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -83.33 129.38 34.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -177.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.86 -149.01 21.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.47 176.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -84.48 3.08 37.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.796 0.331 . . . . 0.0 110.502 178.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.563 ' HA3' ' O ' ' A' ' 66' ' ' ASP . . . -57.84 -31.7 64.87 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.477 178.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.45 HG23 ' NH2' ' A' ' 76' ' ' ARG . 6.7 p -60.61 -33.66 55.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 177.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -67.52 -49.63 62.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.115 -179.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.03 -35.4 80.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.642 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.476 ' HG3' ' HE2' ' A' ' 67' ' ' MET . 61.4 ttp180 -55.38 -47.6 75.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.423 178.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.425 ' HB3' ' HE3' ' A' ' 77' ' ' LYS . 22.6 ttpp -76.38 -35.16 58.8 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.105 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -66.48 -41.32 89.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.612 -173.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -87.18 -9.06 56.18 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.047 -177.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 62.66 64.39 3.88 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.927 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.3 m -72.78 138.75 20.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.214 0.53 . . . . 0.0 112.059 -175.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -133.47 18.59 3.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.425 0.631 . . . . 0.0 109.62 171.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.74 167.75 19.57 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.75 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.7 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 77.7 m-85 -92.36 -51.44 0.28 Allowed Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.307 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.7 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 7.4 Cg_endo -88.48 125.64 1.79 Allowed 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 122.197 1.931 . . . . 0.0 111.547 174.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 64.1 m -139.55 127.79 22.59 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.762 0.315 . . . . 0.0 110.568 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 3.0 mm? -97.3 117.01 30.57 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.847 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 94.7 mt -106.44 133.43 51.13 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.782 -177.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -116.02 106.24 13.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.833 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 65.1 mt -112.44 121.85 65.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.444 ' HA ' ' HG ' ' A' ' 26' ' ' LEU . 22.4 p-10 -84.21 177.08 8.34 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.509 -176.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.1 m -63.05 -22.26 66.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.26 -176.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.8 m -80.73 -0.21 37.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.197 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.443 ' HA2' HD12 ' A' ' 17' ' ' LEU . . . 72.95 34.3 59.0 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.02 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -124.27 150.87 44.88 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.973 0.415 . . . . 0.0 110.76 -177.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.5 t -78.99 93.55 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.543 176.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 9.2 p -72.05 -34.05 49.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.437 -178.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -154.26 147.23 24.51 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.595 177.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -126.38 128.59 47.28 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 177.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.548 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 47.0 tp -120.11 111.62 18.09 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.41 -178.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 60.8 t -93.81 120.01 42.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.257 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.73 159.59 32.75 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.585 -0.816 . . . . 0.0 111.348 -177.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.429 ' HB1' HD22 ' A' ' 42' ' ' LEU . . . -131.24 138.92 49.54 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.109 0.481 . . . . 0.0 110.658 -178.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.488 ' HG3' ' HZ2' ' A' ' 112' ' ' LYS . 5.9 mm-40 -112.55 -175.22 2.62 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.715 -174.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -59.86 155.22 16.79 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 173.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.586 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -48.39 -54.04 29.4 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.586 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 24.3 Cg_exo -64.13 -38.0 38.9 Favored 'Trans proline' 0 C--N 1.359 1.098 0 C-N-CA 121.783 1.655 . . . . 0.0 112.219 177.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -65.83 -33.7 76.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.583 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.9 tp -69.06 -44.03 73.42 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.12 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.586 HD12 HG21 ' A' ' 52' ' ' VAL . 94.7 mt -54.88 -47.59 74.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.548 -179.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.545 ' HB2' ' HZ3' ' A' ' 111' ' ' LYS . 0.0 OUTLIER -65.71 -41.42 92.35 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.128 -0.229 . . . . 0.0 111.379 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.488 ' HZ2' ' HG3' ' A' ' 104' ' ' GLU . 39.1 mttp -57.17 -46.06 83.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.184 175.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.2 t -67.13 -48.9 77.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.701 0.286 . . . . 0.0 110.9 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -58.84 -45.88 88.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.425 -176.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 40.1 tp -77.22 -29.77 54.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.985 0.421 . . . . 0.0 111.049 -178.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -68.22 -42.87 82.27 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.149 -0.548 . . . . 0.0 113.348 -175.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 35.3 m -89.39 -3.08 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -176.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.916 0.389 . . . . 0.0 110.943 179.22 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.837 0 CA-C-O 121.137 0.298 . . . . 0.0 112.875 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.442 HG12 ' HA ' ' A' ' 53' ' ' ALA . 25.6 mt -59.95 138.69 20.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 114.951 -0.625 . . . . 0.0 111.165 -178.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -102.68 102.58 12.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.074 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.889 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 80.6 m-85 -90.58 131.33 36.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.107 178.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.462 ' HG3' HD11 ' A' ' 11' ' ' LEU . 15.2 ptp180 -108.66 142.18 39.53 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.711 -177.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -93.41 94.16 8.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.786 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.462 HD11 ' HG3' ' A' ' 9' ' ' ARG . 9.9 mp -122.44 167.36 13.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.545 175.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.41 ' HB2' ' HG3' ' A' ' 15' ' ' GLU . 9.2 m -73.83 161.9 29.69 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.499 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 38.3 t80 -62.38 -50.69 78.07 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-O 119.481 -0.295 . . . . 0.0 111.133 -178.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 10.1 Cg_endo -55.31 -42.32 69.59 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 122.036 1.824 . . . . 0.0 112.214 174.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.41 ' HG3' ' HB2' ' A' ' 12' ' ' SER . 47.0 mt-10 -57.78 -53.99 51.93 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.129 0.49 . . . . 0.0 110.856 177.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.39 -33.2 75.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.109 -177.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.9 tp -64.25 -46.63 82.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.225 0.536 . . . . 0.0 109.835 177.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -61.22 -41.42 96.83 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.901 176.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.7 mmm-85 -60.35 -47.91 84.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.816 175.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.07 -37.35 76.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.98 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -63.14 -47.59 82.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.879 177.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.9 t -70.74 -48.88 55.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.612 -177.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -63.94 -24.99 67.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.988 0.423 . . . . 0.0 109.946 177.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.5 t0 58.98 64.18 1.46 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.555 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -159.77 174.81 13.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.664 -178.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.7 mp -73.6 141.74 46.59 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.226 0.536 . . . . 0.0 111.196 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.516 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 59.5 tp -90.34 122.26 33.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.551 178.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -102.28 111.38 23.65 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.864 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 46.0 t -101.59 117.73 47.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.321 0.582 . . . . 0.0 111.227 -176.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.503 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 11.7 t70 -81.3 112.8 18.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.029 175.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.8 m -122.16 122.63 39.63 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.166 175.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -143.75 155.45 44.19 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.006 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -100.8 152.79 20.08 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 171.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.4 t -66.24 -2.94 4.84 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -176.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -71.83 117.78 13.85 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 175.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.8 p -90.92 88.51 7.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.254 0.55 . . . . 0.0 111.874 -172.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.38 -106.71 1.03 Allowed Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -53.76 -32.47 66.13 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.911 2.407 . . . . 0.0 112.57 175.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.0 t -64.61 -33.54 76.18 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 110.593 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -74.42 -35.43 63.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.945 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 32.3 mtp-105 -62.55 -42.27 99.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.206 0.527 . . . . 0.0 109.985 177.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.566 HD12 HG22 ' A' ' 46' ' ' VAL . 42.1 tp -61.6 -49.52 76.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.408 177.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.601 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 47.9 m -64.42 -29.88 70.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.676 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -66.07 -58.99 4.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.117 -177.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.42 HG23 HG21 ' A' ' 46' ' ' VAL . 14.5 m -95.18 -45.56 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -171.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.566 HG22 HD12 ' A' ' 42' ' ' LEU . 62.1 t -71.01 -39.94 75.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.827 0.346 . . . . 0.0 111.545 -172.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.601 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 59.7 m-85 -81.68 48.55 1.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.088 0.471 . . . . 0.0 111.521 -177.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -147.49 -38.83 0.19 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.289 177.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.506 ' HB3' HG12 ' A' ' 52' ' ' VAL . 29.1 t70 -64.22 130.04 42.31 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -178.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.7 m -67.93 -39.9 83.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.607 -175.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.0 mt -70.24 -48.36 57.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.642 -173.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.545 HG21 HD21 ' A' ' 110' ' ' LEU . 6.1 p -66.45 -39.3 83.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.36 0.6 . . . . 0.0 110.23 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.442 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -62.79 -50.04 72.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.795 177.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -57.51 -44.12 84.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.781 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -54.67 -57.67 10.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.285 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -71.52 -37.25 71.22 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -177.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.55 ' HA ' ' ND2' ' A' ' 62' ' ' ASN . 65.4 t30 -69.43 -35.95 76.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.58 0.229 . . . . 0.0 111.417 -175.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -88.25 -48.44 7.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.794 0.33 . . . . 0.0 111.559 -178.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -73.68 -25.84 60.44 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -171.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -123.74 154.98 38.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.628 0.252 . . . . 0.0 110.599 -177.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.4 t -89.61 114.1 27.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 170.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.55 ' ND2' ' HA ' ' A' ' 57' ' ' ASN . 41.3 m-80 -90.47 109.19 20.32 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.5 0.667 . . . . 0.0 111.785 -171.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.456 HD21 ' HE3' ' A' ' 65' ' ' MET . 49.3 tp -104.25 139.85 38.68 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.548 178.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.889 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 57.5 tttp -121.88 133.11 54.86 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.6 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.456 ' HE3' HD21 ' A' ' 63' ' ' LEU . 51.7 mtt -146.53 157.82 43.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.729 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.554 ' HB3' ' H ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -96.41 160.22 14.53 Favored 'General case' 0 CA--C 1.492 -1.264 0 CA-C-O 121.261 0.553 . . . . 0.0 109.815 172.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 12.4 ptp -103.85 -1.04 28.39 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.88 169.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -113.3 -24.75 9.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.118 0.485 . . . . 0.0 110.362 -177.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.554 ' H ' ' HB3' ' A' ' 66' ' ' ASP . 34.1 mmtp -101.22 146.69 27.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.06 178.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 62.88 -135.42 43.75 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.782 -0.645 . . . . 0.0 113.393 174.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -83.19 10.93 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.055 0.455 . . . . 0.0 110.769 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -58.84 -31.67 68.47 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.632 -0.713 . . . . 0.0 113.125 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.4 m -62.31 -35.7 70.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 116.953 0.377 . . . . 0.0 111.684 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -73.92 -40.6 63.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.839 0.352 . . . . 0.0 110.527 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.48 ' O ' ' HD1' ' A' ' 79' ' ' TYR . 94.8 mt -66.19 -31.25 71.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.111 176.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.895 ' HG3' HG21 ' A' ' 81' ' ' VAL . 19.0 ttm180 -58.16 -55.72 31.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.859 177.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -72.31 -22.37 61.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 110.702 -178.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -64.43 -39.97 94.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.825 178.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.48 ' HD1' ' O ' ' A' ' 75' ' ' LEU . 78.0 m-85 -105.45 -14.63 15.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.436 -176.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 113.34 -49.1 0.87 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.506 -0.854 . . . . 0.0 114.032 169.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.895 HG21 ' HG3' ' A' ' 76' ' ' ARG . 48.0 t 53.58 103.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 122.03 0.919 . . . . 0.0 112.797 -170.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -121.46 -40.89 2.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.167 171.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.54 -167.45 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.17 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.745 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 71.3 m-85 -98.93 -52.4 0.2 Allowed Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.837 -0.165 . . . . 0.0 111.171 176.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.745 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 12.1 Cg_endo -93.01 142.49 2.07 Favored 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 122.329 2.02 . . . . 0.0 112.122 175.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.3 m -147.19 124.8 11.76 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.981 0.419 . . . . 0.0 110.893 178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.481 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 2.4 mm? -101.73 119.52 38.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.472 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.864 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 88.9 mt -106.96 130.99 54.53 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.112 0.482 . . . . 0.0 111.546 -175.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -108.91 110.93 22.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.587 175.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.516 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 39.6 mm -112.52 138.29 42.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.761 -176.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -74.83 161.9 29.15 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 174.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.9 p -69.36 -17.0 63.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.101 0.477 . . . . 0.0 110.701 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.4 m -79.45 -9.28 59.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.354 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 85.21 53.93 2.99 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.396 -178.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.85 154.52 38.53 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -179.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 33.5 m -85.93 137.09 21.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.185 0.516 . . . . 0.0 111.39 -174.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.8 t -89.52 -58.57 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.349 175.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -155.56 141.27 18.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.541 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -103.15 113.72 27.43 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.481 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 51.0 tp -99.86 107.51 19.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.923 0.392 . . . . 0.0 110.269 -179.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 30.8 m -98.25 144.46 11.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.523 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 88.85 145.93 12.18 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.813 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.476 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . . . -116.93 115.09 24.8 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.932 0.396 . . . . 0.0 110.373 -178.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -99.22 175.32 5.93 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.726 -178.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -73.76 173.94 9.12 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 175.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.574 ' HB2' ' HD3' ' A' ' 107' ' ' PRO . . . -52.34 -55.16 34.26 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -171.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.574 ' HD3' ' HB2' ' A' ' 106' ' ' ALA . 22.8 Cg_exo -63.53 -42.62 20.48 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 121.774 1.649 . . . . 0.0 112.478 -178.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 49.0 tp10 -69.48 -39.62 77.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.693 -177.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 41.6 tp -59.71 -47.31 86.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.075 0.464 . . . . 0.0 110.073 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.545 HD21 HG21 ' A' ' 52' ' ' VAL . 84.8 mt -58.04 -35.02 70.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.124 -0.943 . . . . 0.0 111.047 177.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -66.77 -47.16 73.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.146 0.498 . . . . 0.0 110.116 176.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 108' ' ' GLU . 14.4 mmmm -63.42 -36.98 85.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.767 -176.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.0 p -73.53 -39.92 54.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.082 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -65.33 -55.24 19.34 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.552 0.215 . . . . 0.0 110.999 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.5 -9.23 56.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.475 -176.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -80.74 -28.18 47.8 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.265 178.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 40.5 t -115.07 -52.87 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.698 0.285 . . . . 0.0 110.676 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 . . . . . 0 C--O 1.235 0.293 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.568 178.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.676 0 CA-C-O 121.01 0.228 . . . . 0.0 112.85 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.567 ' HB ' ' CD2' ' A' ' 47' ' ' PHE . 73.6 mt -95.81 114.42 32.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.026 0.441 . . . . 0.0 109.945 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.82 121.56 32.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.084 -176.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.563 ' HE2' ' HE2' ' A' ' 47' ' ' PHE . 57.6 m-85 -94.9 147.77 23.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.275 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 20.4 mtt180 -113.27 144.79 42.13 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -126.36 93.5 3.82 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.88 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.3 mt -114.67 168.04 10.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.428 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 m -58.03 154.22 13.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.809 0.338 . . . . 0.0 110.677 175.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.427 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 74.6 t80 -53.73 -54.76 42.76 Favored Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -176.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 28.9 Cg_endo -62.52 -32.95 79.9 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 121.952 1.768 . . . . 0.0 112.144 178.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -62.89 -49.54 74.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.707 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.03 -42.53 98.64 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.254 -176.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.4 mt -64.33 -46.52 83.14 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.895 0.379 . . . . 0.0 111.03 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -61.64 -46.49 89.57 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.738 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -64.07 -40.14 95.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.089 178.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.442 ' HA ' ' HB2' ' A' ' 24' ' ' ASP . . . -57.16 -48.48 78.62 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.734 177.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.83 -38.52 85.74 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.51 -177.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.8 t -84.66 -57.35 4.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -173.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -109.55 0.35 19.14 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -169.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.442 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 30.7 m-20 -136.23 -149.29 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 177.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -129.04 -78.99 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.486 HD21 ' HA ' ' A' ' 91' ' ' ASN . 92.4 mt -112.06 159.45 18.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.911 0.386 . . . . 0.0 110.946 -177.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.507 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 58.3 tp -95.75 129.89 42.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.279 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -116.67 107.94 15.31 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.647 HG22 HD21 ' A' ' 63' ' ' LEU . 48.5 t -99.3 120.83 49.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 120.937 0.399 . . . . 0.0 110.674 -178.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -90.69 105.04 17.55 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.654 176.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 94.5 m -109.79 113.08 25.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.307 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -126.55 160.91 29.28 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.458 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 m -100.79 164.12 12.0 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 177.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.0 t -64.83 -13.35 55.67 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -176.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -63.24 145.16 56.11 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.751 0.31 . . . . 0.0 110.313 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 56.4 m -92.77 172.37 8.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.846 -176.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.19 -112.25 1.77 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.446 -0.883 . . . . 0.0 113.608 176.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.495 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 10.0 Cg_endo -51.39 -42.56 54.33 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.725 2.95 . . . . 0.0 113.96 -171.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 70.0 m -62.73 -29.87 71.0 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -174.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 40' ' ' LYS . 21.0 tptm -79.42 -35.45 40.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 110.322 178.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.8 mtm105 -63.43 -36.62 84.36 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.27 177.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 38' ' ' PRO . 95.4 mt -55.83 -45.75 78.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.417 176.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.546 ' HA ' ' HB2' ' A' ' 47' ' ' PHE . 16.4 m -58.23 -29.67 65.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.591 -178.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -86.29 -23.77 26.19 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -177.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.9 t -109.02 -56.44 4.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -175.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.475 ' HA ' ' HB3' ' A' ' 106' ' ' ALA . 11.9 p -84.78 -33.97 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.389 -175.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.567 ' CD2' ' HB ' ' A' ' 6' ' ' ILE . 58.5 m-85 -80.88 15.91 1.63 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.896 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -106.32 -34.53 7.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.802 0.334 . . . . 0.0 111.412 -176.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.425 ' OD2' ' HB3' ' A' ' 51' ' ' LEU . 36.1 t70 -76.16 124.62 27.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.883 0.373 . . . . 0.0 111.284 -175.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.7 m -67.79 -30.65 70.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.64 -176.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.425 ' HB3' ' OD2' ' A' ' 49' ' ' ASP . 41.4 tp -69.43 -51.99 31.05 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 83.3 t -61.63 -42.27 93.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.418 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.542 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -55.65 -43.48 76.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.098 178.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -72.32 -43.31 64.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -55.02 -48.73 73.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.31 -176.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -78.26 -30.76 48.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.457 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 53' ' ' ALA . 21.0 t-20 -61.01 -45.77 93.46 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.01 0.433 . . . . 0.0 111.079 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -90.49 -35.04 15.33 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -175.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -87.92 -18.53 28.95 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -172.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -133.65 157.14 46.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.974 0.416 . . . . 0.0 110.75 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 65.9 t -90.41 110.12 21.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 171.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.511 ' HB3' ' CD1' ' A' ' 8' ' ' PHE . 93.2 m-20 -79.98 103.77 10.1 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.998 -179.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.647 HD21 HG22 ' A' ' 29' ' ' VAL . 48.9 tp -108.11 125.08 51.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.251 -0.432 . . . . 0.0 109.902 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -107.3 124.59 50.0 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.53 ' HE2' ' HG2' ' A' ' 71' ' ' GLU . 82.9 mtp -136.15 138.19 41.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.81 0.338 . . . . 0.0 111.102 -179.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.4 ' O ' ' HA3' ' A' ' 72' ' ' GLY . 2.6 t70 -89.13 156.92 18.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.56 175.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.482 ' HE1' HG21 ' A' ' 81' ' ' VAL . 60.4 mtt -85.52 -4.11 59.06 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.623 -177.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -112.76 -12.96 13.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.431 0.634 . . . . 0.0 109.93 -178.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -101.62 120.34 40.18 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.431 -176.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.58 -123.91 20.55 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.723 -0.671 . . . . 0.0 113.507 171.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.53 ' HG2' ' HE2' ' A' ' 65' ' ' MET . 1.1 pm0 -93.38 11.28 28.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.625 0.25 . . . . 0.0 110.786 -177.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 66' ' ' ASP . . . -59.4 -34.2 79.66 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.385 174.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.3 p -67.28 -34.12 67.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 120.986 0.422 . . . . 0.0 110.955 176.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -71.04 -46.61 61.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.185 178.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.02 -31.26 72.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.161 0.505 . . . . 0.0 110.339 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -59.51 -52.34 65.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.916 178.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -77.05 -31.57 56.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.39 -178.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -63.14 -44.58 95.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.997 -177.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -89.74 -28.29 19.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.636 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 81.03 74.48 1.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.492 176.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.482 HG21 ' HE1' ' A' ' 67' ' ' MET . 14.8 p -76.26 134.79 28.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.254 0.549 . . . . 0.0 111.183 -178.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -136.18 21.5 3.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.601 176.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -139.5 -168.23 2.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.716 -176.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.845 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 36.8 m-85 -92.46 -57.63 0.23 Allowed Pre-proline 0 C--N 1.325 -0.476 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.909 175.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.845 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 73.7 Cg_endo -97.58 151.66 0.92 Allowed 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 122.673 2.249 . . . . 0.0 112.641 177.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.6 m -148.84 122.1 8.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.511 174.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.585 HD21 HD21 ' A' ' 100' ' ' LEU . 6.9 mp -99.33 117.35 33.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.891 179.029 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.474 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 3.0 mm? -102.56 136.22 42.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.808 -178.175 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.423 ' HZ ' HG21 ' A' ' 113' ' ' VAL . 93.6 m-85 -118.21 107.04 13.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.849 176.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.507 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 35.7 mm -106.64 127.85 61.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.188 0.518 . . . . 0.0 111.148 -176.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.486 ' HA ' HD21 ' A' ' 26' ' ' LEU . 28.7 p-10 -95.83 -178.15 4.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.985 178.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.0 m -66.72 -18.38 65.34 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.7 m -80.66 -26.15 37.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.873 0.368 . . . . 0.0 110.506 177.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.16 11.61 84.75 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.512 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -96.68 16.04 20.13 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -174.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 27.0 t 67.18 103.87 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 O-C-N 123.693 0.62 . . . . 0.0 111.241 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.8 p -79.07 -31.26 14.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.989 0.423 . . . . 0.0 109.879 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -166.1 146.4 6.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.947 176.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.401 ' HD3' HH11 ' A' ' 99' ' ' ARG . 35.4 ttt180 -125.09 117.81 24.76 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.585 HD21 HD21 ' A' ' 87' ' ' LEU . 57.0 tp -99.22 110.09 22.68 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.088 0.47 . . . . 0.0 110.745 -177.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 46.6 t -94.66 104.71 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.751 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 119.51 151.84 8.95 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -176.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -138.14 114.67 10.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.135 0.467 . . . . 0.0 111.596 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -99.8 -175.41 2.96 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.706 177.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.467 ' OD2' ' HD2' ' A' ' 107' ' ' PRO . 7.3 p-10 -72.12 170.31 14.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.69 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.55 ' HB1' ' HD3' ' A' ' 107' ' ' PRO . . . -45.11 -54.57 13.48 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -171.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.55 ' HD3' ' HB1' ' A' ' 106' ' ' ALA . 33.6 Cg_exo -58.8 -53.82 3.43 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.73 1.62 . . . . 0.0 112.982 -174.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -76.02 -23.09 55.16 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.494 ' O ' HG22 ' A' ' 113' ' ' VAL . 24.6 tp -66.04 -51.92 53.81 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.2 tp -59.18 -33.16 70.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.307 177.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -58.88 -48.78 80.18 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.509 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -70.15 -37.73 75.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.25 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.515 ' O ' HG21 ' A' ' 117' ' ' VAL . 70.4 t -61.47 -53.08 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.646 0.26 . . . . 0.0 111.019 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' 118' ' ' GLU . 27.4 mtpp -66.21 -54.73 21.67 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -176.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 89.5 mt -73.37 -14.2 61.23 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -175.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -82.78 -31.25 30.07 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.548 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.515 HG21 ' O ' ' A' ' 113' ' ' VAL . 69.7 t -79.05 -30.61 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 111.042 -178.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 114' ' ' LYS . 7.1 pt-20 . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 120.877 0.37 . . . . 0.0 111.166 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 120.735 0.302 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -140.59 112.39 7.57 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.192 0.52 . . . . 0.0 110.646 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.12 130.8 18.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.68 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -116.63 -167.8 1.35 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.81 -131.8 1.78 Allowed Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.137 -1.03 . . . . 0.0 112.912 -175.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.488 HG12 ' HA ' ' A' ' 53' ' ' ALA . 45.8 mt -63.17 126.11 20.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.231 -0.485 . . . . 0.0 110.966 -178.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -130.51 111.34 12.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 176.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -80.34 138.14 36.67 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.446 -176.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -86.21 163.08 17.99 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 175.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -126.8 111.61 14.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.914 0.388 . . . . 0.0 111.225 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.405 HD11 HD13 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -143.19 164.96 28.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.399 175.187 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.421 ' HB2' ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -70.54 166.13 21.21 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -174.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.64 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 17.5 t80 -53.34 -54.18 48.01 Favored Pre-proline 0 CA--C 1.543 0.705 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.107 -175.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.64 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 32.3 Cg_exo -58.8 -42.81 49.35 Favored 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 121.912 1.741 . . . . 0.0 112.19 178.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -62.87 -35.98 81.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.096 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.69 -54.57 40.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.278 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.79 -43.97 97.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.279 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -61.85 -44.2 97.31 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.291 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.546 ' HA ' HG11 ' A' ' 22' ' ' VAL . 22.1 tpt180 -68.32 -38.41 81.54 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.117 -177.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.548 ' HA ' HG23 ' A' ' 61' ' ' VAL . . . -57.27 -48.25 79.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.373 . . . . 0.0 110.368 176.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -63.93 -44.0 94.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.612 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.546 HG11 ' HA ' ' A' ' 19' ' ' ARG . 12.5 p -78.52 -35.52 19.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -174.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -78.62 -37.43 42.24 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 122.102 -0.374 . . . . 0.0 111.054 -176.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -174.02 -79.71 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.689 0 CA-C-O 121.335 0.588 . . . . 0.0 110.956 175.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.908 ' HG2' ' HG ' ' A' ' 26' ' ' LEU . 38.5 ttmt 176.51 151.03 0.15 Allowed 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.365 -173.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.908 ' HG ' ' HG2' ' A' ' 25' ' ' LYS . 89.0 mt 72.52 142.05 0.06 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.848 0.832 . . . . 0.0 112.241 170.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.663 ' HB3' HG23 ' A' ' 90' ' ' ILE . 21.5 tp -123.24 122.27 37.97 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.026 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -96.92 101.1 12.62 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 176.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.711 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 41.5 t -93.12 105.88 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.184 -173.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -85.52 103.05 14.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.887 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.514 ' HG ' HG13 ' A' ' 29' ' ' VAL . 62.9 m -99.55 119.53 38.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.736 178.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -123.91 157.05 35.15 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.717 -177.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.591 HG21 ' H ' ' A' ' 35' ' ' TRP . 93.6 m -98.67 148.98 23.28 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.425 176.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 m -53.47 -21.19 5.75 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.443 0.64 . . . . 0.0 111.4 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.591 ' H ' HG21 ' A' ' 33' ' ' THR . 55.0 t-105 -54.02 -33.67 57.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.097 -0.956 . . . . 0.0 112.109 178.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 35' ' ' TRP . 41.1 t 69.7 -89.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.528 -173.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.427 ' O ' ' HG2' ' A' ' 40' ' ' LYS . . . 54.37 -115.51 5.34 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.449 -0.405 . . . . 0.0 113.302 176.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.96 -24.68 40.54 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.622 2.881 . . . . 0.0 113.641 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.1 t -52.69 -41.97 64.37 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.863 0.364 . . . . 0.0 111.342 -178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 37' ' ' GLY . 17.3 ptmt -79.0 -23.24 44.53 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.384 -178.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 41' ' ' ARG . 11.4 ttm180 -64.68 -49.38 71.18 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.6 mp -62.32 -37.95 87.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.856 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.584 ' O ' ' HB2' ' A' ' 47' ' ' PHE . 7.6 t -62.39 -29.29 70.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.571 177.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -73.26 -56.54 4.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.432 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.0 t -89.59 -52.5 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -171.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.3 t -71.25 -37.22 65.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.876 0.37 . . . . 0.0 111.275 -173.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.584 ' HB2' ' O ' ' A' ' 43' ' ' SER . 4.6 m-30 -80.68 32.5 0.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.296 -177.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -127.63 -16.83 4.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.02 0.438 . . . . 0.0 110.145 174.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -88.71 121.98 31.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.496 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 m -69.41 -37.38 77.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.735 -177.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.2 tt -68.82 -50.95 45.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.575 0.226 . . . . 0.0 110.56 -175.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.2 t -61.61 -40.15 85.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.086 0.469 . . . . 0.0 110.306 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.488 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -64.42 -47.42 79.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.024 177.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -58.91 -45.49 90.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.197 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -58.28 -43.88 88.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.432 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -69.56 -52.27 27.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.184 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -66.15 -30.78 71.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 112.099 -173.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -89.03 -44.03 10.68 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.966 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -83.22 -9.78 58.95 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -173.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -140.6 169.74 17.08 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.548 HG23 ' HA ' ' A' ' 20' ' ' ALA . 89.4 t -104.89 121.25 56.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 169.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -85.94 142.44 28.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.151 0.5 . . . . 0.0 111.691 -171.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.405 HD13 HD11 ' A' ' 11' ' ' LEU . 39.0 tp -150.1 126.09 10.54 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.642 179.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -91.23 116.43 28.81 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 171.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.404 ' HE1' HD11 ' A' ' 75' ' ' LEU . 16.8 tpt -102.86 132.66 48.9 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 120.919 0.39 . . . . 0.0 110.545 -175.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.424 ' HB3' ' O ' ' A' ' 69' ' ' LYS . 0.8 OUTLIER -73.28 157.03 37.84 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.182 178.715 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 73.6 mmm -128.27 -5.91 5.41 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.077 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -115.94 -32.83 5.29 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.55 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 66' ' ' ASP . 60.7 mttm -121.26 176.86 5.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.623 175.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 60.47 48.94 83.68 Favored Glycine 0 CA--C 1.518 0.263 0 CA-C-N 115.91 -0.586 . . . . 0.0 114.042 171.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 64.5 19.07 11.68 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 122.714 0.406 . . . . 0.0 111.516 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.44 -31.79 71.2 Favored Glycine 0 C--N 1.331 0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.883 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.7 m -54.76 -35.71 34.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -69.6 -47.47 63.41 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.178 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.404 HD11 ' HE1' ' A' ' 65' ' ' MET . 61.7 mt -66.81 -35.45 80.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.065 0.46 . . . . 0.0 110.115 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -58.9 -49.32 78.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.862 178.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -76.99 -37.78 54.46 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.226 -175.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -80.45 -34.05 36.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.109 -172.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.629 ' HD2' ' HD3' ' A' ' 99' ' ' ARG . 69.0 m-85 -97.51 1.93 49.6 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.71 0.291 . . . . 0.0 111.626 -177.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 63.55 76.51 0.27 Allowed Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.738 -0.664 . . . . 0.0 113.866 172.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.0 p -77.42 143.27 13.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -126.79 -32.13 2.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.737 0.303 . . . . 0.0 111.273 -178.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.21 -148.12 0.34 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.301 -179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.691 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 24.5 m-85 -91.95 -53.73 0.27 Allowed Pre-proline 0 CA--C 1.539 0.522 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -172.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.691 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 29.2 Cg_endo -96.09 123.79 0.28 Allowed 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.827 2.351 . . . . 0.0 113.02 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.0 m -134.19 126.26 29.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.304 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.67 HD11 HD22 ' A' ' 100' ' ' LEU . 90.7 mt -107.49 124.43 49.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.995 0.426 . . . . 0.0 110.661 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.711 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 78.1 mt -109.86 120.43 42.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.783 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -97.54 106.67 19.03 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 175.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.663 HG23 ' HB3' ' A' ' 27' ' ' LEU . 16.8 tt -125.71 139.94 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-O 121.173 0.511 . . . . 0.0 111.134 -172.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -77.89 168.1 20.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.019 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.4 m -67.5 -19.05 65.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.105 0.478 . . . . 0.0 110.699 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.5 m -72.05 -14.64 61.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.953 177.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 92.62 19.16 38.66 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.851 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -114.35 137.39 51.87 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.549 ' HA ' ' HA ' ' A' ' 90' ' ' ILE . 26.9 m -86.91 144.6 8.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.97 0.414 . . . . 0.0 110.356 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 34.7 m -97.71 -23.56 4.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.232 177.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -165.14 136.25 4.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.152 -177.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.629 ' HD3' ' HD2' ' A' ' 79' ' ' TYR . 52.0 mtm180 -108.78 114.18 27.75 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.89 174.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.67 HD22 HD11 ' A' ' 87' ' ' LEU . 53.9 tp -91.82 107.03 18.92 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.138 0.494 . . . . 0.0 109.916 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 59.1 t -97.46 103.45 14.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.13 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.8 173.49 17.36 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.655 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -134.92 132.03 37.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.031 0.444 . . . . 0.0 110.275 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -119.89 -178.52 3.66 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.79 157.64 34.29 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.104 -0.239 . . . . 0.0 110.473 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -43.89 -56.26 7.77 Favored Pre-proline 0 N--CA 1.474 0.725 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -171.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.04 -39.45 80.2 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 121.982 1.788 . . . . 0.0 112.273 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -69.7 -39.56 76.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.344 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.506 ' O ' HG23 ' A' ' 113' ' ' VAL . 0.8 OUTLIER -62.52 -50.37 71.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.765 179.643 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.1 tp -58.41 -37.4 75.28 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.222 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -64.31 -48.1 76.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.489 178.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -60.62 -34.48 74.31 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.248 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 109' ' ' LEU . 82.8 t -60.41 -50.69 79.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.622 177.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -65.25 -45.38 84.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.218 -178.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.66 -25.82 68.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.302 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -79.02 -40.95 15.13 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.588 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 48.6 t -80.61 -40.57 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.078 0.466 . . . . 0.0 110.639 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -127.68 86.4 2.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.873 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.1 m -78.64 117.22 19.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.587 -175.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -93.0 162.14 14.17 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 174.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.782 0 CA-C-O 118.892 -0.949 . . . . 0.0 111.935 -178.613 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -96.52 124.85 40.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.865 0.364 . . . . 0.0 110.444 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -101.76 101.76 12.3 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.066 0.46 . . . . 0.0 110.591 178.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -101.2 -11.8 19.24 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.836 177.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 78.24 -149.41 33.99 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.57 -0.741 . . . . 0.0 113.158 174.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.577 HG12 ' HA ' ' A' ' 47' ' ' PHE . 20.4 mm -86.48 138.64 18.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.675 0.274 . . . . 0.0 110.339 -178.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -116.41 109.79 17.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.072 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.785 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 46.7 m-85 -100.83 146.39 27.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.14 0.495 . . . . 0.0 111.496 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.439 ' O ' HD11 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -108.94 147.29 32.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.335 173.867 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -121.12 94.98 4.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.994 0.426 . . . . 0.0 111.021 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -126.61 167.46 15.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.357 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.8 m -75.82 159.64 30.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.988 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.576 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 91.3 t80 -52.13 -53.05 56.41 Favored Pre-proline 0 CA--C 1.539 0.529 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.576 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 71.6 Cg_exo -48.48 -49.88 13.55 Favored 'Trans proline' 0 C--N 1.358 1.068 0 C-N-CA 122.203 1.936 . . . . 0.0 112.806 176.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -61.24 -46.9 88.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.377 178.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.5 -42.89 79.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.795 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.471 ' HA ' HD22 ' A' ' 27' ' ' LEU . 39.0 tp -67.92 -53.31 27.42 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.536 0.684 . . . . 0.0 110.207 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -56.84 -49.51 75.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.638 -1.165 . . . . 0.0 111.648 -177.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -65.63 -39.77 91.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.755 -177.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.41 -33.76 76.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.672 0.272 . . . . 0.0 111.017 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.07 -40.69 82.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.661 0.267 . . . . 0.0 110.788 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.649 HG22 ' HG3' ' A' ' 23' ' ' GLU . 30.4 m -86.17 -34.71 8.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -175.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.649 ' HG3' HG22 ' A' ' 22' ' ' VAL . 45.7 mt-10 -108.51 -36.97 6.07 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -173.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.542 ' CG ' ' H ' ' A' ' 25' ' ' LYS . 10.3 t70 -118.2 -148.44 0.42 Allowed 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.201 -0.6 . . . . 0.0 112.532 -164.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.542 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 43.9 tttm -126.53 -51.57 1.49 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.687 -165.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.448 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 50.1 mt -148.95 157.45 43.43 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.522 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.471 HD22 ' HA ' ' A' ' 17' ' ' LEU . 8.6 mp -87.26 111.17 20.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.234 176.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.463 ' HB3' ' O ' ' A' ' 61' ' ' VAL . 82.8 t80 -110.06 114.78 28.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 178.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.808 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 98.4 t -107.36 121.19 59.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.864 0.364 . . . . 0.0 111.133 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -87.83 108.97 19.41 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.026 173.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.485 ' SG ' ' HG2' ' A' ' 67' ' ' MET . 51.5 t -115.04 113.77 24.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.145 -178.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.485 ' CE1' ' HE3' ' A' ' 64' ' ' LYS . 21.4 p90 -123.68 159.85 28.46 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.312 -0.403 . . . . 0.0 109.917 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 m -99.3 155.1 17.68 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.8 m -62.12 -16.57 53.42 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -174.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -60.68 132.98 55.59 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.954 0.407 . . . . 0.0 111.19 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.9 m -80.61 107.37 13.36 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.712 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.43 ' HA3' ' HD2' ' A' ' 38' ' ' PRO . . . -154.26 -123.46 0.89 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.419 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.538 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 9.5 Cg_endo -52.32 -36.88 70.05 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.403 2.735 . . . . 0.0 112.633 -178.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.6 p -54.24 -37.25 64.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.585 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -74.01 -37.23 64.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.773 -177.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -70.94 -40.31 72.1 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 38' ' ' PRO . 94.3 mt -56.6 -42.67 79.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.964 176.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.533 ' O ' ' HB2' ' A' ' 47' ' ' PHE . 50.1 m -59.55 -28.61 67.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.667 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -84.7 -47.71 10.18 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -177.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.507 HG13 HG23 ' A' ' 46' ' ' VAL . 7.4 p -95.64 -53.15 8.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.127 0.489 . . . . 0.0 112.103 -174.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.521 HG11 HG12 ' A' ' 52' ' ' VAL . 58.0 t -67.47 -42.38 87.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.194 -177.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.577 ' HA ' HG12 ' A' ' 6' ' ' ILE . 3.6 m-85 -81.58 29.26 0.38 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.175 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -134.73 -28.82 1.2 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 176.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -72.85 130.98 41.66 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.374 -176.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.7 m -69.81 -40.31 76.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.486 -177.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.94 -51.27 68.79 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.817 0.342 . . . . 0.0 110.666 -177.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.521 HG12 HG11 ' A' ' 46' ' ' VAL . 93.7 t -60.07 -45.79 95.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.908 178.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.485 ' HA ' HD12 ' A' ' 6' ' ' ILE . . . -60.03 -51.17 70.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.471 -178.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -63.99 -39.02 93.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.75 -176.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -61.84 -58.68 7.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.907 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -61.7 -46.24 90.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.79 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -71.05 -49.01 49.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -172.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -79.47 -24.3 42.47 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -170.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -95.55 -25.23 16.27 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 89.7 m-85 -142.9 163.68 32.14 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 121.18 -0.208 . . . . 0.0 111.074 -177.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.463 ' O ' ' HB3' ' A' ' 28' ' ' PHE . 85.4 t -78.78 118.16 25.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.506 176.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.576 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.8 OUTLIER -88.89 94.94 10.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.157 178.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.711 HD22 HG23 ' A' ' 29' ' ' VAL . 52.9 tp -96.9 125.93 41.68 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.965 0.412 . . . . 0.0 110.18 -178.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.785 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 48.2 tptt -100.62 122.03 42.6 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.511 ' HE1' HD23 ' A' ' 63' ' ' LEU . 26.7 mtt -132.39 158.09 42.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.543 0.687 . . . . 0.0 111.824 -178.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.87 156.26 17.63 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.143 175.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.485 ' HG2' ' SG ' ' A' ' 31' ' ' CYS . 66.1 mtp -78.42 -19.4 53.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.945 0.402 . . . . 0.0 110.388 -179.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 45.1 mt-10 -141.83 132.88 26.1 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 176.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.69 ' HZ3' ' HB2' ' A' ' 69' ' ' LYS . 10.4 mtmp? 76.56 111.85 0.07 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.406 1.066 . . . . 0.0 110.356 -170.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.17 46.27 1.37 Allowed Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.916 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 66.11 14.07 9.44 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.329 0.652 . . . . 0.0 111.56 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.44 -35.91 59.5 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.503 -177.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.3 p -60.71 -36.69 72.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 120.69 0.281 . . . . 0.0 110.955 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.53 ' O ' ' HB2' ' A' ' 78' ' ' LYS . 0.3 OUTLIER -66.67 -49.99 64.38 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.799 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.9 mt -60.02 -38.14 81.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.56 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -61.14 -50.03 74.86 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.863 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' A' ' 77' ' ' LYS . 3.6 tppp? -72.07 -28.16 63.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.505 0.669 . . . . 0.0 110.151 -178.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 28.8 tttp -65.92 -49.31 68.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.602 -175.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -105.22 -27.68 11.41 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -173.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.85 51.32 15.5 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.483 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.7 m -77.56 156.84 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.51 0.195 . . . . 0.0 110.996 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -143.01 18.3 1.95 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.822 0.344 . . . . 0.0 111.651 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.09 -178.21 3.58 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.879 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 95.2 m-85 -92.53 -58.19 0.23 Allowed Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.607 176.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.879 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 38.2 Cg_endo -98.45 119.89 0.13 Allowed 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 122.621 2.214 . . . . 0.0 112.129 175.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.2 m -128.48 139.86 52.12 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.761 0.315 . . . . 0.0 111.005 -177.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.515 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 72.8 mt -108.86 113.07 25.69 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.808 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 87.6 mt -98.94 120.33 39.21 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.501 -177.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -110.66 127.67 55.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.558 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 66.7 mt -131.58 136.41 57.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -95.44 178.53 5.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.494 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.3 m -63.14 -19.01 64.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.288 -173.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.0 m -74.96 -11.34 60.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.671 0.272 . . . . 0.0 111.129 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 86.16 22.65 47.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.422 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -127.43 154.58 44.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.887 0.375 . . . . 0.0 110.833 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.3 p -91.7 127.83 43.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.799 174.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 47.5 t -92.95 -48.04 13.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.093 0.473 . . . . 0.0 110.073 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -134.73 136.19 42.49 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.837 -178.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -102.1 124.72 48.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.021 177.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.515 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 2.8 tm? -104.22 107.56 18.53 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 19.1 m -103.21 136.0 38.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.666 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.41 119.05 0.94 Allowed Glycine 0 N--CA 1.443 -0.891 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.281 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.426 ' H ' ' HG2' ' A' ' 85' ' ' PRO . . . -101.43 146.47 27.58 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.334 -0.433 . . . . 0.0 110.176 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.432 ' HG3' ' HG3' ' A' ' 108' ' ' GLU . 26.3 mm-40 -117.83 -174.71 2.69 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.28 -178.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.27 158.58 13.92 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 170.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.589 ' HB1' ' HD3' ' A' ' 107' ' ' PRO . . . -44.26 -57.19 6.7 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -171.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.589 ' HD3' ' HB1' ' A' ' 106' ' ' ALA . 25.2 Cg_exo -63.44 -40.16 32.8 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.658 1.572 . . . . 0.0 112.851 -177.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.432 ' HG3' ' HG3' ' A' ' 104' ' ' GLU . 45.2 tp10 -70.46 -38.81 74.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.523 -177.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 37.0 tp -64.36 -45.77 86.31 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 120.987 0.422 . . . . 0.0 110.001 177.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 69.6 mt -52.49 -38.73 60.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.343 176.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 107' ' ' PRO . 34.7 mmtp -61.5 -48.33 81.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.411 177.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.436 ' HB3' HD23 ' A' ' 100' ' ' LEU . 54.9 mtpt -64.67 -40.12 94.86 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.321 -178.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 89.4 t -67.18 -47.58 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.674 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -63.79 -38.95 93.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.573 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.485 HD11 ' O ' ' A' ' 115' ' ' LEU . 2.7 tm? -77.6 -22.64 50.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.486 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -86.24 -38.15 8.61 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.42 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.1 t -82.44 -47.7 18.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.825 0.312 . . . . 0.0 110.92 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.35 142.27 41.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.424 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 17.4 t -65.94 -43.12 88.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.58 -176.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -132.63 -70.19 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.798 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.905 0 CA-C-O 119.146 -0.808 . . . . 0.0 111.356 -178.475 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.667 0.27 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -86.88 115.55 24.36 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.44 -38.96 2.06 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 -178.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.0 19.45 11.76 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.614 0.571 . . . . 0.0 110.559 -175.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 122.69 -168.44 15.05 Favored Glycine 0 N--CA 1.44 -1.052 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.743 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.3 mt -85.85 121.43 37.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.923 0.392 . . . . 0.0 110.363 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.52 90.87 4.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.057 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -83.92 126.95 33.49 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.235 174.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.43 ' O ' HD11 ' A' ' 63' ' ' LEU . 53.6 mtp180 -92.98 160.33 14.93 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 177.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -125.44 93.87 3.98 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 176.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.8 mt -125.63 161.51 27.06 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.421 -175.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.5 m -69.88 162.81 27.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.748 176.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.628 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 57.5 t80 -57.84 -52.77 71.98 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.062 -177.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.628 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 31.8 Cg_exo -55.51 -45.74 37.39 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 121.934 1.756 . . . . 0.0 112.225 175.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.27 -54.22 49.29 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.878 -177.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.08 -49.24 78.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.652 -176.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.505 ' CD2' ' HG ' ' A' ' 27' ' ' LEU . 41.4 mt -61.37 -53.59 54.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.212 -177.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -65.27 -42.27 93.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.727 -173.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -60.89 -39.53 89.6 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-O 120.992 0.425 . . . . 0.0 110.053 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.945 ' HA ' ' HB2' ' A' ' 24' ' ' ASP . . . -69.37 -42.19 75.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.638 178.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -58.98 -35.4 73.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.257 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.6 t -88.04 -54.95 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -105.11 -33.79 8.16 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -171.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.945 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 23.4 m-20 -100.38 -156.97 0.58 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.821 -171.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -120.19 -90.45 0.58 Allowed 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.553 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.9 mt -103.9 162.27 13.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.99 0.424 . . . . 0.0 111.711 -172.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.539 ' HB2' ' HB ' ' A' ' 90' ' ' ILE . 3.5 mm? -97.36 123.7 41.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.688 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -113.67 106.55 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 174.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.833 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 21.9 t -100.88 112.03 32.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.479 -176.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -93.94 100.66 12.78 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.425 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.5 m -106.67 113.39 26.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.455 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -125.27 158.76 33.32 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.122 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.6 p -99.37 157.98 16.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.384 0.611 . . . . 0.0 111.127 177.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.2 p -90.5 16.56 8.71 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.283 -0.872 . . . . 0.0 110.449 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -55.55 -68.67 0.18 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.977 -1.01 . . . . 0.0 112.271 -172.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.7 p -121.89 -73.44 0.65 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.679 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.618 ' H ' ' HD3' ' A' ' 38' ' ' PRO . . . 171.67 49.64 0.04 OUTLIER Glycine 0 CA--C 1.523 0.567 0 C-N-CA 120.728 -0.748 . . . . 0.0 113.922 174.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.618 ' HD3' ' H ' ' A' ' 37' ' ' GLY . 23.8 Cg_exo -64.73 -34.43 50.56 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.105 1.87 . . . . 0.0 111.804 176.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.5 t -65.65 -31.95 73.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.155 0.502 . . . . 0.0 109.886 177.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -72.73 -31.31 64.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.057 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -61.18 -48.93 79.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.169 173.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.3 mt -66.36 -21.22 66.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.76 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.573 ' HA ' ' HB2' ' A' ' 47' ' ' PHE . 37.2 t -65.51 -28.84 69.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.176 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.469 ' HG3' HG23 ' A' ' 45' ' ' VAL . 27.3 tptp -58.81 -66.47 0.49 Allowed 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.927 0.344 . . . . 0.0 111.927 -177.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.469 HG23 ' HG3' ' A' ' 44' ' ' LYS . 58.5 t -108.21 -50.29 7.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.645 0.26 . . . . 0.0 111.314 -176.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.5 t -55.2 -50.62 62.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.517 -172.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.573 ' HB2' ' HA ' ' A' ' 43' ' ' SER . 20.4 m-30 -85.52 17.58 3.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.76 -176.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -130.82 -0.51 4.26 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -86.32 122.21 29.97 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.3 m -70.13 -42.71 72.23 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -177.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.6 tp -65.78 -47.59 74.65 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.814 0.34 . . . . 0.0 111.147 -175.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.4 t -66.77 -35.43 74.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.693 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.12 -44.9 94.54 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 178.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -58.82 -43.05 90.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.406 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -61.36 -45.84 92.72 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.487 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -65.95 -47.01 76.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.409 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -31.09 70.87 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.204 0.526 . . . . 0.0 111.196 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -76.62 -41.97 44.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.172 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -85.84 -41.73 14.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -174.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -132.06 174.95 9.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.051 0.453 . . . . 0.0 110.691 -173.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 22.1 m -95.05 125.07 47.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 166.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -85.23 98.81 10.71 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.154 0.502 . . . . 0.0 110.532 -177.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.43 HD11 ' O ' ' A' ' 9' ' ' ARG . 44.0 tp -116.82 125.46 51.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.577 -177.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -94.29 131.97 39.36 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 174.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.0 tpt -133.1 116.02 15.8 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.831 0.348 . . . . 0.0 110.413 -178.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -70.55 141.1 51.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.121 0.486 . . . . 0.0 110.002 176.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.405 ' HE2' HG22 ' A' ' 81' ' ' VAL . 10.7 ttp -94.55 6.09 49.87 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.979 -172.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -120.86 8.14 10.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.686 176.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -124.85 150.93 45.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.151 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 57.84 -128.85 48.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.645 178.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.472 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 0.9 OUTLIER -92.86 9.9 33.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.896 0.379 . . . . 0.0 110.255 176.521 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.463 ' HA2' HD11 ' A' ' 75' ' ' LEU . . . -61.39 -33.52 84.9 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.338 178.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.41 ' O ' ' HB3' ' A' ' 76' ' ' ARG . 7.8 p -65.89 -36.82 78.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.261 0.553 . . . . 0.0 109.809 176.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 23.4 mm-40 -65.84 -43.65 87.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.822 175.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.479 HD22 ' HD2' ' A' ' 78' ' ' LYS . 75.3 mt -57.63 -36.12 71.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.412 176.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.41 ' HB3' ' O ' ' A' ' 73' ' ' VAL . 14.3 ttm180 -57.85 -42.82 85.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.251 177.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -76.55 -28.58 56.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.056 177.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.479 ' HD2' HD22 ' A' ' 75' ' ' LEU . 68.0 mttm -74.72 -48.67 24.56 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -175.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -100.88 0.6 38.79 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -171.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.08 70.51 0.95 Allowed Glycine 0 C--N 1.33 0.24 0 O-C-N 123.418 0.449 . . . . 0.0 113.178 174.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.405 HG22 ' HE2' ' A' ' 67' ' ' MET . 13.5 p -60.39 137.7 22.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.109 0.48 . . . . 0.0 110.797 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -122.01 -48.41 2.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.56 178.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.13 -159.39 0.6 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.313 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.854 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 44.7 m-85 -91.62 -54.27 0.27 Allowed Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.773 -0.194 . . . . 0.0 110.561 178.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.854 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 4.1 Cg_endo -89.88 140.42 3.46 Favored 'Trans proline' 0 N--CA 1.451 -0.989 0 C-N-CA 122.239 1.959 . . . . 0.0 111.652 173.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 47.2 m -133.77 110.38 9.76 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.995 0.426 . . . . 0.0 110.359 177.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.533 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 6.9 mp -83.9 122.04 28.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.656 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.833 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 79.7 mt -114.42 135.66 53.85 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -178.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.463 ' CZ ' HG22 ' A' ' 113' ' ' VAL . 53.2 m-85 -121.25 109.35 14.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.052 -177.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.539 ' HB ' ' HB2' ' A' ' 27' ' ' LEU . 68.8 mt -108.66 131.71 58.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.896 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -94.69 177.66 5.84 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 m -60.3 -30.0 69.2 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.002 0.43 . . . . 0.0 111.173 -177.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.2 t -81.82 -11.93 58.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.468 -176.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.64 25.4 62.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.311 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -99.91 150.67 22.16 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 44.0 t -78.17 101.4 3.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.95 0.405 . . . . 0.0 110.184 -178.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.2 t -77.33 -57.27 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.601 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -146.03 143.35 29.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.145 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -120.84 130.17 53.84 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 175.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.533 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 4.2 tt -129.36 110.88 12.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.817 0.342 . . . . 0.0 110.205 -174.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.6 m -103.9 120.62 54.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.123 0.487 . . . . 0.0 110.466 176.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.12 160.81 13.67 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.759 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -135.78 132.8 37.21 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.945 0.402 . . . . 0.0 110.653 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.558 ' HG2' ' HD2' ' A' ' 112' ' ' LYS . 69.4 mm-40 -94.45 -175.71 3.71 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.328 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.536 ' HB3' ' HD2' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -67.87 165.13 18.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.958 173.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.541 ' HB1' ' HD3' ' A' ' 107' ' ' PRO . . . -47.66 -52.24 39.49 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -177.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.541 ' HD3' ' HB1' ' A' ' 106' ' ' ALA . 33.0 Cg_exo -61.01 -45.73 18.61 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 121.775 1.65 . . . . 0.0 112.389 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.59 -26.32 60.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.64 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.4 ' O ' HG13 ' A' ' 113' ' ' VAL . 0.3 OUTLIER -55.79 -46.31 78.0 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.472 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.9 tp -66.84 -41.82 86.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.135 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -69.21 -41.38 77.15 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.474 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.558 ' HD2' ' HG2' ' A' ' 104' ' ' GLU . 28.9 tttp -63.32 -44.48 94.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.75 -176.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.463 HG22 ' CZ ' ' A' ' 89' ' ' PHE . 7.9 p -70.71 -38.63 73.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.633 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.417 ' HZ2' ' CD ' ' A' ' 118' ' ' GLU . 22.3 tptp -64.73 -52.66 55.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.809 0.338 . . . . 0.0 110.592 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 43.7 tp -68.7 -26.56 65.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -76.62 -47.01 10.59 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.647 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 90.4 t -72.3 -35.66 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.62 0.248 . . . . 0.0 111.014 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.417 ' CD ' ' HZ2' ' A' ' 114' ' ' LYS . 51.7 mt-10 -82.22 93.5 7.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.92 0.391 . . . . 0.0 110.755 178.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 25.0 m -106.43 108.2 19.6 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 174.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -85.82 148.51 25.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.982 -176.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.865 0 CA-C-O 118.55 -1.139 . . . . 0.0 111.643 178.692 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 120.724 0.297 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -124.53 173.31 8.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 175.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.0 -48.53 6.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.141 0.496 . . . . 0.0 110.082 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -83.95 103.52 13.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.673 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.22 117.92 3.17 Favored Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 -172.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.53 HG12 ' HA ' ' A' ' 53' ' ' ALA . 49.5 mt -59.7 119.29 3.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.022 0.439 . . . . 0.0 111.342 -174.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.55 94.9 5.06 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.231 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -71.56 129.86 39.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.451 177.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 9' ' ' ARG . 16.6 mmm-85 -78.11 136.75 37.93 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.913 -176.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -101.73 96.17 6.91 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 172.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.6 mt -135.74 167.48 21.07 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.734 -175.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.1 t -79.29 163.5 24.87 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 174.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.486 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 50.9 t80 -54.63 -60.15 8.58 Favored Pre-proline 0 CA--C 1.544 0.714 0 O-C-N 123.265 0.353 . . . . 0.0 111.778 -176.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.486 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 34.3 Cg_endo -65.34 -36.59 34.73 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 121.845 1.697 . . . . 0.0 112.156 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.566 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 34.4 mm-40 -58.52 -54.67 44.43 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.069 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.21 89.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.4 -174.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.6 tp -58.24 -53.47 57.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.296 0.57 . . . . 0.0 110.382 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.632 ' HB2' ' HZ1' ' A' ' 18' ' ' LYS . 2.7 ttmp? -62.18 -39.93 94.33 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.546 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 24.6 mmt180 -58.81 -41.53 86.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.736 177.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.568 ' HA ' HG21 ' A' ' 61' ' ' VAL . . . -62.55 -44.54 96.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.232 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -56.27 -40.95 75.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.345 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 85.3 t -90.17 -50.72 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -83.63 -38.31 21.73 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -167.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.518 ' HB2' ' CG2' ' A' ' 61' ' ' VAL . 54.9 m-20 -140.23 -127.41 0.11 Allowed 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.299 -173.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.62 ' HG2' ' HG ' ' A' ' 26' ' ' LEU . 37.6 tttp -156.66 127.82 6.93 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.491 -174.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.62 ' HG ' ' HG2' ' A' ' 25' ' ' LYS . 96.9 mt 66.91 142.68 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.834 0.826 . . . . 0.0 112.221 174.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.515 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 35.7 tp -104.46 108.15 19.44 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.63 177.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.415 ' CZ ' HD22 ' A' ' 87' ' ' LEU . 64.2 t80 -90.56 101.56 14.3 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.727 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 47.9 t -95.7 116.84 38.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.805 -176.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -100.95 107.09 18.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.844 175.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.493 ' HB2' ' HB ' ' A' ' 86' ' ' THR . 80.4 m -94.78 114.08 25.92 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.357 176.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -119.34 154.87 32.89 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.187 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 51.9 p -98.35 171.87 7.91 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.8 m -70.81 -23.29 62.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.954 0.407 . . . . 0.0 110.354 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -69.22 122.41 18.78 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.184 175.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.2 p -99.04 121.85 41.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.178 0.514 . . . . 0.0 111.104 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.24 -87.25 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.521 177.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.412 ' HB2' ' HG3' ' A' ' 85' ' ' PRO . 48.7 Cg_exo -55.07 -40.71 84.46 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 123.18 2.587 . . . . 0.0 112.854 177.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.495 ' SG ' ' HB3' ' A' ' 85' ' ' PRO . 56.8 m -70.34 -21.91 62.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.598 0.237 . . . . 0.0 110.916 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -70.45 -29.22 65.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.181 0.515 . . . . 0.0 109.947 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -60.12 -39.2 85.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.022 174.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.528 HD12 HD22 ' A' ' 109' ' ' LEU . 12.2 tp -67.68 -40.26 84.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.891 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.599 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 15.6 m -61.92 -38.98 90.45 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.207 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -56.17 -57.83 10.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.25 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.465 HG22 HG22 ' A' ' 46' ' ' VAL . 5.3 m -97.4 -45.41 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -172.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.465 HG22 HG22 ' A' ' 45' ' ' VAL . 36.1 t -72.5 -28.93 29.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.071 0.462 . . . . 0.0 111.323 -171.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.599 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 34.2 m-85 -95.55 21.35 8.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.861 0.363 . . . . 0.0 110.736 178.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -134.45 -44.16 0.76 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.047 -177.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.88 130.14 42.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.989 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.0 m -66.73 -45.61 78.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.078 -176.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.6 mt -70.74 -43.51 68.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.373 -174.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.8 t -61.79 -50.03 81.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.471 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.53 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -59.99 -39.91 87.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' A' ' 58' ' ' ARG . 23.3 t70 -64.42 -48.18 76.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.182 -179.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -61.71 -51.73 67.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.35 -176.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -67.94 -30.72 70.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.865 -175.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -70.76 -34.35 71.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.75 0.31 . . . . 0.0 111.159 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 54' ' ' ASP . 58.2 mtt180 -83.12 -44.11 15.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.708 -178.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -88.16 -10.03 51.22 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -170.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.488 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 69.4 m-85 -142.6 146.3 34.41 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.568 HG21 ' HA ' ' A' ' 20' ' ' ALA . 89.0 t -91.47 110.1 22.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 168.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -86.23 116.08 24.19 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.661 -174.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 54.8 tp -113.7 126.25 55.03 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.472 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -103.79 133.38 48.87 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 176.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 53.2 ttm -147.25 140.83 25.56 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.95 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -75.55 156.25 35.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.711 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.476 ' HE2' HG23 ' A' ' 81' ' ' VAL . 79.8 mtp -98.99 -3.53 34.7 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 172.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 47.3 mt-10 -127.06 111.11 13.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.326 173.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 68' ' ' GLU . 97.6 mttt 73.4 160.99 0.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.3 1.0 . . . . 0.0 110.778 -173.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 78.56 28.57 54.97 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.885 -178.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 69.29 16.17 8.43 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.405 0.682 . . . . 0.0 111.352 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.82 -32.05 82.87 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.193 178.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.3 p -57.61 -35.5 50.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-O 120.696 0.284 . . . . 0.0 111.297 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -64.07 -51.65 63.05 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.037 0.446 . . . . 0.0 110.428 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.9 mp -71.24 -31.72 67.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.308 -176.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.633 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 37.3 ttt180 -59.22 -42.25 90.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.254 0.55 . . . . 0.0 110.291 177.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -77.17 -30.08 54.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.804 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -76.07 -49.68 16.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.979 -172.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -98.36 -16.64 19.23 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.992 -174.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.52 110.86 1.49 Allowed Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 176.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.633 ' HB ' ' HG3' ' A' ' 76' ' ' ARG . 8.4 p -71.83 134.32 30.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.149 0.5 . . . . 0.0 110.31 176.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 54.5 m80 -136.1 -70.35 0.47 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.972 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.36 -160.15 0.76 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.003 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.657 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 42.3 m-85 -90.86 -48.04 0.36 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.554 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.657 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 84.8 Cg_endo -89.28 143.35 4.64 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 121.871 1.714 . . . . 0.0 111.597 170.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.493 ' HB ' ' HB2' ' A' ' 31' ' ' CYS . 62.6 m -148.55 114.26 5.69 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.03 0.443 . . . . 0.0 110.608 177.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.646 HD11 HD21 ' A' ' 100' ' ' LEU . 82.0 mt -93.66 116.5 29.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.074 -178.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.727 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 81.9 mt -105.48 127.6 53.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.908 176.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -109.17 106.62 16.57 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.284 -177.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.515 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 45.4 mm -113.68 118.84 59.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.737 -175.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -93.23 -174.08 3.43 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 176.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.1 p -56.34 -27.56 56.21 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -177.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.8 m -66.25 -27.47 67.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.726 0.298 . . . . 0.0 111.764 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 91.02 -11.13 73.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.766 -176.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -88.29 167.83 13.22 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 18.3 m -93.22 124.31 45.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.057 0.456 . . . . 0.0 111.261 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.42 HG11 ' HD1' ' A' ' 98' ' ' TYR . 3.4 p -74.42 -43.31 49.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 174.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.527 ' OH ' ' HA ' ' A' ' 113' ' ' VAL . 18.3 p90 -161.72 165.07 28.62 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 172.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -125.15 140.64 52.69 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.646 HD21 HD11 ' A' ' 87' ' ' LEU . 48.0 tp -125.66 125.42 43.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.902 0.382 . . . . 0.0 110.819 -176.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 60.5 t -102.73 107.86 22.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.289 177.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 119.64 148.13 8.16 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.121 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -124.93 114.86 19.71 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -95.92 -175.53 3.44 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.676 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.83 166.31 9.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.326 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.544 ' HB2' ' HD3' ' A' ' 107' ' ' PRO . . . -52.13 -51.79 68.34 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -172.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.544 ' HD3' ' HB2' ' A' ' 106' ' ' ALA . 37.2 Cg_exo -58.21 -45.14 33.22 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.787 1.658 . . . . 0.0 112.534 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 11.0 mm-40 -69.39 -40.29 77.46 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 -179.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.528 HD22 HD12 ' A' ' 42' ' ' LEU . 47.7 tp -52.63 -55.62 21.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.465 178.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 54.8 tp -56.35 -39.89 73.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.099 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -65.37 -42.91 92.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.844 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 108' ' ' GLU . 13.7 mmmm -65.99 -27.56 68.23 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 120.626 0.25 . . . . 0.0 111.294 -177.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.527 ' HA ' ' OH ' ' A' ' 98' ' ' TYR . 76.2 t -71.13 -52.92 23.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.363 . . . . 0.0 110.45 177.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 118' ' ' GLU . 96.2 mttt -66.25 -44.94 82.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.438 -178.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 30.1 tp -67.33 -20.66 65.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.05 -177.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -89.66 -40.7 5.9 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.844 -0.693 . . . . 0.0 113.134 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 22.0 m -66.31 -35.85 75.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.91 0.355 . . . . 0.0 111.901 -176.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 114' ' ' LYS . 9.9 pt-20 -100.93 159.24 15.37 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 175.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.7 p -106.72 5.84 29.12 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.76 -174.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 66.26 93.96 0.07 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.438 0.637 . . . . 0.0 109.866 -176.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.408 -1.218 . . . . 0.0 111.216 -176.263 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -135.17 147.62 49.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.029 0.442 . . . . 0.0 111.431 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -146.71 108.41 4.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.844 176.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -81.4 162.19 23.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.97 177.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -100.17 -133.32 8.07 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.906 -0.664 . . . . 0.0 113.457 -173.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.1 mt -57.86 123.55 9.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.163 -0.519 . . . . 0.0 111.507 -177.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -113.17 114.39 26.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.454 177.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.651 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 83.9 m-85 -84.14 145.4 28.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.53 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -94.69 128.64 41.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.239 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -82.72 94.42 7.6 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 174.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.6 tp -139.12 167.92 20.98 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.234 -175.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.8 p -83.23 168.8 16.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.093 0.473 . . . . 0.0 110.363 176.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.488 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 81.3 t80 -63.22 -53.44 53.88 Favored Pre-proline 0 C--N 1.317 -0.82 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.886 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 20.8 Cg_endo -61.16 -39.58 57.75 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.113 1.876 . . . . 0.0 112.592 -177.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.4 -54.71 32.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.353 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.54 -41.08 84.74 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.073 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.6 tp -58.03 -50.38 73.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.17 0.51 . . . . 0.0 110.528 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -56.85 -43.14 80.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.711 178.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -58.68 -49.01 79.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.491 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.48 -30.98 71.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.728 0.299 . . . . 0.0 111.347 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -64.17 -46.7 82.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.125 0.488 . . . . 0.0 110.568 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.7 t -77.88 -39.26 25.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.327 -177.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.669 ' HG2' ' HE2' ' A' ' 25' ' ' LYS . 21.0 tt0 -85.31 -0.08 53.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.054 0.454 . . . . 0.0 110.778 -176.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.6 t70 61.49 52.17 3.82 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.989 170.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.669 ' HE2' ' HG2' ' A' ' 23' ' ' GLU . 56.2 mtmt -144.56 -178.65 6.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.898 179.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' A' ' 91' ' ' ASN . 3.0 mm? -100.9 157.61 16.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.929 0.395 . . . . 0.0 111.142 -175.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.578 ' HB2' ' HB ' ' A' ' 90' ' ' ILE . 3.3 mm? -90.8 119.19 30.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.517 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.479 ' CZ ' HD23 ' A' ' 87' ' ' LEU . 76.9 t80 -105.79 101.41 10.92 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 171.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.569 ' HB ' ' HB3' ' A' ' 88' ' ' LEU . 27.6 t -97.26 111.66 27.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.515 -176.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -79.75 98.12 6.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.428 177.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.4 m -98.25 111.86 24.05 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -141.4 155.71 45.87 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.303 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.416 ' C ' ' H ' ' A' ' 35' ' ' TRP . 9.7 t -100.48 152.11 20.77 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.3 p -75.4 16.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -175.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.416 ' H ' ' C ' ' A' ' 33' ' ' THR . 49.6 t-105 -53.76 -34.22 58.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.542 177.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 35' ' ' TRP . 48.5 t 77.3 163.58 0.23 Allowed 'General case' 0 CA--C 1.53 0.2 0 O-C-N 124.038 0.836 . . . . 0.0 110.456 -177.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.64 -100.45 1.06 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.261 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.01 -45.05 43.84 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 123.378 2.719 . . . . 0.0 113.353 -177.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.7 p -64.97 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.085 0.469 . . . . 0.0 111.064 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -79.28 -39.74 32.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.363 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -61.55 -41.16 96.95 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.933 0.397 . . . . 0.0 110.393 175.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.7 tp -58.6 -37.04 74.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.128 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.648 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 49.9 m -69.37 -29.64 67.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.307 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -64.33 -37.75 88.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.533 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.617 HG13 HG22 ' A' ' 46' ' ' VAL . 7.4 p -107.39 -52.93 6.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -174.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.617 HG22 HG13 ' A' ' 45' ' ' VAL . 49.9 t -72.13 -38.53 63.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.537 -174.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.648 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 1.6 m-85 -84.65 39.08 0.72 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.135 0.493 . . . . 0.0 110.585 -177.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -133.82 -49.99 0.83 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.746 -178.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -63.18 126.35 27.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.531 -173.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.3 p -65.4 -40.03 92.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.675 -175.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.62 -52.23 22.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.789 -0.187 . . . . 0.0 111.133 -178.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 88.2 t -59.76 -49.54 83.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.949 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.85 97.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.659 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -69.74 -50.72 40.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.757 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -58.92 -42.93 90.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.898 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -67.81 -49.64 61.16 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.074 -177.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -67.74 -30.65 70.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.897 -175.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -74.05 -51.04 17.05 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.147 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -74.49 -33.57 62.87 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -172.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -117.47 136.52 53.15 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.568 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.3 t -75.14 110.19 9.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.588 ' HB3' ' CD1' ' A' ' 8' ' ' PHE . 12.2 m120 -80.52 105.13 11.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.795 -175.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.505 HD22 ' HE2' ' A' ' 65' ' ' MET . 64.7 tp -106.36 126.3 52.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.955 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.651 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 54.3 tttm -96.27 118.94 33.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.335 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.505 ' HE2' HD22 ' A' ' 63' ' ' LEU . 38.3 mtt -137.04 102.52 4.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.278 0.561 . . . . 0.0 111.292 177.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.31 140.37 58.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.473 -0.785 . . . . 0.0 108.921 174.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.431 ' SD ' HG13 ' A' ' 81' ' ' VAL . 45.8 mtm -77.14 1.46 18.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.309 0.576 . . . . 0.0 110.71 176.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -113.18 97.23 6.37 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 167.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.649 ' HG2' ' H ' ' A' ' 70' ' ' GLY . 17.0 ttmm 176.53 179.85 0.19 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 113.783 -1.553 . . . . 0.0 108.398 -168.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.649 ' H ' ' HG2' ' A' ' 69' ' ' LYS . . . -56.71 -69.06 1.39 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.172 -0.537 . . . . 0.0 112.45 177.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.551 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 2.3 mp0 -77.99 -10.75 59.75 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.884 -0.186 . . . . 0.0 111.117 178.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -58.18 -49.17 78.19 Favored Glycine 0 C--N 1.329 0.187 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.782 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.6 p -64.85 -32.71 59.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.686 0.279 . . . . 0.0 110.427 178.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 78' ' ' LYS . 43.1 tt0 -66.04 -50.59 63.63 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 81.9 mt -60.23 -40.53 90.52 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.285 0.366 . . . . 0.0 111.458 -177.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.421 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 53.0 ttt180 -61.05 -42.15 97.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.057 0.456 . . . . 0.0 110.613 -178.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -76.62 -35.71 57.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.559 0.695 . . . . 0.0 110.753 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 72.1 tttt -68.17 -49.23 62.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.681 -171.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.569 ' CE1' HG21 ' A' ' 96' ' ' VAL . 92.8 m-85 -101.37 13.37 35.24 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.775 -175.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.41 56.75 22.82 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.521 -0.763 . . . . 0.0 113.214 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.431 HG13 ' SD ' ' A' ' 67' ' ' MET . 58.2 t -79.22 105.66 8.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.053 0.454 . . . . 0.0 110.798 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -109.33 22.89 15.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.302 0.572 . . . . 0.0 110.139 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -129.39 -172.53 2.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.618 176.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.761 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 59.1 m-85 -92.83 -52.32 0.27 Allowed Pre-proline 0 C--N 1.325 -0.463 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.188 177.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.761 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 71.7 Cg_endo -98.0 143.58 0.6 Allowed 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 122.388 2.058 . . . . 0.0 112.145 172.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 80.6 m -150.27 119.56 6.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.115 0.483 . . . . 0.0 110.657 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.658 HD11 HD21 ' A' ' 100' ' ' LEU . 47.6 mt -93.35 117.83 30.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.885 -178.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.569 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 34.1 tp -104.36 125.08 50.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -176.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.498 ' CE1' HG22 ' A' ' 113' ' ' VAL . 45.2 m-85 -107.41 113.7 27.22 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.282 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.775 HG12 HG22 ' A' ' 96' ' ' VAL . 65.9 mt -122.21 141.68 41.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.55 -176.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.488 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -92.46 168.84 11.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.522 176.701 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.6 m -61.91 -21.42 64.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.983 -176.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.7 p -79.99 0.34 32.0 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.872 0.368 . . . . 0.0 111.9 -177.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.26 -33.76 6.07 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.988 173.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -77.15 164.24 25.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.387 0.613 . . . . 0.0 111.968 -176.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.775 HG22 HG12 ' A' ' 90' ' ' ILE . 67.9 t -100.23 128.09 52.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.661 -177.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 30.0 m -88.9 -37.47 10.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.125 -178.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -163.12 155.45 18.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.114 -178.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -135.33 137.61 42.59 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 175.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.658 HD21 HD11 ' A' ' 87' ' ' LEU . 59.4 tp -106.79 109.48 21.4 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.27 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.0 p -85.57 102.78 11.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.617 0.723 . . . . 0.0 110.305 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 120.78 -166.11 13.93 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.515 -176.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -160.02 115.61 2.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.669 0.271 . . . . 0.0 110.626 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.655 ' HB3' ' HB2' ' A' ' 108' ' ' GLU . 0.8 OUTLIER -85.94 169.46 13.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.362 177.081 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -69.78 174.82 4.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.071 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.579 ' HB1' ' HD3' ' A' ' 107' ' ' PRO . . . -48.19 -54.47 24.82 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -170.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.579 ' HD3' ' HB1' ' A' ' 106' ' ' ALA . 24.3 Cg_exo -63.41 -47.51 7.55 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 121.834 1.69 . . . . 0.0 112.167 -178.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.655 ' HB2' ' HB3' ' A' ' 104' ' ' GLU . 44.0 mm-40 -68.29 -37.07 80.28 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.096 -176.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.424 ' HA ' HD23 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -60.71 -46.65 89.56 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -179.586 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 43.3 tp -62.46 -32.46 73.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.652 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -73.14 -42.02 63.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.452 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 108' ' ' GLU . 31.0 mmmt -64.89 -44.57 89.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.213 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.498 HG22 ' CE1' ' A' ' 89' ' ' PHE . 7.3 p -66.78 -41.52 88.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.029 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -66.55 -51.73 53.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.617 0.246 . . . . 0.0 111.053 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 89.3 mt -76.43 -12.89 60.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.539 -177.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.56 -36.82 47.93 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.372 173.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 61.0 t -84.29 -36.44 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.224 0.535 . . . . 0.0 109.983 176.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -84.25 71.74 10.6 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.5 p -75.79 150.27 37.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.998 -174.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -88.12 -27.91 21.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.519 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.842 0 CA-C-O 118.701 -1.055 . . . . 0.0 111.873 -177.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.728 0.299 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.413 ' HB2' ' H ' ' A' ' 3' ' ' ALA . 0.2 OUTLIER -91.36 -99.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.122 0.487 . . . . 0.0 109.997 -177.802 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.413 ' H ' ' HB2' ' A' ' 2' ' ' GLN . . . -149.88 20.42 0.89 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 174.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -71.84 -32.04 67.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.308 -173.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.854 ' HA3' ' HB3' ' A' ' 47' ' ' PHE . . . 155.99 -160.54 30.13 Favored Glycine 0 N--CA 1.442 -0.928 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.319 178.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.466 ' H ' ' HD2' ' A' ' 47' ' ' PHE . 80.8 mt -68.43 133.83 31.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.953 0.406 . . . . 0.0 111.6 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.92 115.96 28.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.805 172.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -72.63 159.07 34.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.12 0.486 . . . . 0.0 111.311 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 9' ' ' ARG . 15.1 mtm180 -118.54 115.0 23.68 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 174.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -81.54 111.45 17.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.529 0.68 . . . . 0.0 110.302 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.452 HD21 ' HB3' ' A' ' 15' ' ' GLU . 15.4 tp -145.72 165.48 28.65 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.361 -175.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.1 m -82.21 156.63 24.31 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.617 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 64.7 t80 -56.61 -56.51 31.56 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-O 119.032 -0.508 . . . . 0.0 112.248 -172.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.617 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 67.5 Cg_exo -50.13 -43.55 42.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 122.25 1.966 . . . . 0.0 113.122 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.452 ' HB3' HD21 ' A' ' 11' ' ' LEU . 37.9 mt-10 -65.18 -54.12 34.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.743 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.22 -32.83 72.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.251 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 92' ' ' SER . 21.4 tp -61.72 -50.25 73.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.748 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -55.9 -42.2 75.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.711 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -62.97 -43.12 99.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.78 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.71 -51.44 68.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.546 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -60.62 -37.43 81.43 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -175.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.6 t -89.2 -51.29 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -173.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -99.46 -24.82 14.65 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -167.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -128.54 -145.04 0.29 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -176.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.508 ' HB3' HD12 ' A' ' 26' ' ' LEU . 51.8 mttp -125.66 -85.47 0.63 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.508 HD12 ' HB3' ' A' ' 25' ' ' LYS . 7.2 mp -102.73 162.92 12.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.01 0.434 . . . . 0.0 110.875 -177.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.31 117.85 35.79 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.243 -176.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -93.0 107.09 18.95 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 177.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.569 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 39.9 t -102.01 113.68 39.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.939 0.399 . . . . 0.0 111.382 -175.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -90.89 115.85 28.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.793 174.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 76.1 m -117.57 113.56 22.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.171 0.51 . . . . 0.0 110.342 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -133.39 154.86 50.4 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.782 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.4 t -106.06 173.2 6.42 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.136 173.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 m -73.0 -3.13 24.14 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -174.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.449 ' HB2' ' CD1' ' A' ' 84' ' ' TYR . 80.3 m95 -80.1 103.98 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.7 m 61.5 -175.23 0.13 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.262 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.94 64.84 0.56 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.277 -0.963 . . . . 0.0 113.16 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.19 -41.19 53.34 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.489 2.126 . . . . 0.0 112.163 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.507 ' HA ' HD13 ' A' ' 42' ' ' LEU . 37.6 t -63.93 -30.96 72.0 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.91 0.386 . . . . 0.0 110.49 179.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -69.65 -28.97 66.34 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.182 0.515 . . . . 0.0 110.608 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -75.24 -31.12 60.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.255 0.55 . . . . 0.0 109.852 176.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.507 HD13 ' HA ' ' A' ' 39' ' ' CYS . 95.4 mt -63.12 -33.19 74.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.349 175.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.633 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 14.0 m -61.36 -33.28 73.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.781 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -68.44 -56.39 8.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.179 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.493 HG23 HG22 ' A' ' 46' ' ' VAL . 7.3 m -84.36 -45.73 17.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -172.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.493 HG22 HG23 ' A' ' 45' ' ' VAL . 59.4 t -80.67 -49.12 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.891 0.377 . . . . 0.0 111.629 -173.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.854 ' HB3' ' HA3' ' A' ' 5' ' ' GLY . 11.5 m-85 -71.25 -5.27 30.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.953 -173.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -75.3 -26.49 58.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.692 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -73.94 128.59 35.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.812 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.9 p -69.53 -46.82 65.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.253 -175.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.17 -42.24 89.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.768 -176.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.3 t -66.29 -32.81 59.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.416 177.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.97 -51.75 51.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.572 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -59.07 -39.35 81.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.655 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -59.97 -57.7 11.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.356 -177.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.4 ' HA ' ' HD2' ' A' ' 60' ' ' PHE . 32.1 m-85 -71.27 -39.57 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -177.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.409 ' HA ' ' OD1' ' A' ' 62' ' ' ASN . 4.0 t-20 -68.85 -41.41 78.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.56 -175.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.5 ttp85 -88.86 -36.97 15.69 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -172.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -88.91 -19.27 26.02 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.421 -174.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.48 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 79.7 m-85 -130.14 158.51 39.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.82 0.343 . . . . 0.0 110.664 -176.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 64.9 t -89.93 116.52 31.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.409 ' OD1' ' HA ' ' A' ' 57' ' ' ASN . 8.5 m120 -81.43 100.74 9.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.991 0.424 . . . . 0.0 110.352 -176.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.428 HD13 ' O ' ' A' ' 11' ' ' LEU . 45.4 tp -105.53 128.87 53.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.417 -178.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -116.79 120.07 37.39 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.447 ' HE2' ' H ' ' A' ' 71' ' ' GLU . 13.4 ttt -142.45 150.31 40.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.217 0.532 . . . . 0.0 111.097 -177.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -88.81 156.47 18.94 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.629 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 57.7 mtt -85.78 2.72 44.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.256 0.551 . . . . 0.0 110.573 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -113.34 -40.36 3.9 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.366 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -90.82 134.28 34.56 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.326 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.78 -116.85 5.52 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.479 -0.782 . . . . 0.0 113.696 169.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.447 ' H ' ' HE2' ' A' ' 65' ' ' MET . 33.9 mt-10 -94.32 4.27 54.09 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 122.584 0.354 . . . . 0.0 111.104 -174.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 76' ' ' ARG . . . -57.33 -45.5 92.76 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.668 -178.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.93 -32.77 58.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.897 0.38 . . . . 0.0 111.31 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -68.47 -52.21 34.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.2 -178.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.538 ' HA ' ' HB3' ' A' ' 78' ' ' LYS . 79.0 mt -66.04 -30.74 71.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.319 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 24.7 ttt180 -54.37 -51.06 65.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.477 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -77.02 -29.53 55.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.242 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.538 ' HB3' ' HA ' ' A' ' 75' ' ' LEU . 14.9 tppt? -59.12 -50.67 73.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.899 0.38 . . . . 0.0 111.175 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.585 ' HD1' ' HD3' ' A' ' 99' ' ' ARG . 87.5 m-85 -96.04 -3.97 43.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.935 -175.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 64.37 33.89 88.44 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.556 177.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.426 HG12 HG21 ' A' ' 86' ' ' THR . 20.4 m -85.52 135.59 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 CA-C-O 121.187 0.517 . . . . 0.0 111.274 -176.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -126.08 7.47 7.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.622 176.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.75 -179.6 7.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.755 -177.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.863 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 54.1 m-85 -96.21 -55.66 0.21 Allowed Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.337 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.863 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 11.1 Cg_endo -95.19 114.86 0.17 Allowed 'Trans proline' 0 N--CA 1.449 -1.121 0 C-N-CA 122.652 2.235 . . . . 0.0 112.128 172.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.426 HG21 HG12 ' A' ' 81' ' ' VAL . 41.7 m -124.6 119.52 29.28 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.069 0.461 . . . . 0.0 110.49 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.481 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 3.2 mm? -100.0 119.47 38.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.151 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.569 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 97.5 mt -110.69 129.67 55.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.741 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.597 ' HE2' HD22 ' A' ' 100' ' ' LEU . 27.5 m-85 -112.71 106.3 14.64 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.535 HD13 HG21 ' A' ' 29' ' ' VAL . 63.0 mt -117.69 142.39 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.767 -168.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -87.66 -174.3 4.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.891 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.46 ' HA ' HD12 ' A' ' 17' ' ' LEU . 5.4 p -71.38 -26.9 62.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 112.066 -176.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.542 ' HB3' ' HG2' ' A' ' 95' ' ' GLU . 43.4 t -75.79 -18.64 59.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.129 0.49 . . . . 0.0 110.937 177.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 98.17 14.05 40.34 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.583 -0.817 . . . . 0.0 111.758 -175.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.542 ' HG2' ' HB3' ' A' ' 93' ' ' SER . 9.1 mm-40 -92.54 139.32 30.7 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.8 p -89.82 133.49 31.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.775 0.322 . . . . 0.0 110.157 177.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 30.3 m -82.83 -30.38 8.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.908 0.385 . . . . 0.0 110.894 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -166.98 143.81 4.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.461 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.585 ' HD3' ' HD1' ' A' ' 79' ' ' TYR . 73.1 mtm180 -106.25 121.55 44.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.901 -178.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.702 HD23 ' HB3' ' A' ' 112' ' ' LYS . 0.2 OUTLIER -97.02 132.34 42.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.022 179.566 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 37.7 t -118.11 114.8 46.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.03 -158.17 32.85 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.521 -0.847 . . . . 0.0 111.229 -176.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -158.83 144.93 16.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.02 0.438 . . . . 0.0 111.447 -178.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -116.39 -175.22 2.71 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.635 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -65.87 169.04 7.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.702 -0.227 . . . . 0.0 110.825 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.562 ' HB2' ' HD3' ' A' ' 107' ' ' PRO . . . -49.67 -52.16 53.31 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 -172.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.562 ' HD3' ' HB2' ' A' ' 106' ' ' ALA . 33.3 Cg_exo -62.84 -38.84 45.59 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 121.986 1.791 . . . . 0.0 112.307 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.44 -31.66 62.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.232 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.4 tp -60.81 -52.37 65.35 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.213 0.53 . . . . 0.0 109.686 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.9 tp -63.87 -36.69 84.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.16 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -59.11 -47.92 83.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.179 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.702 ' HB3' HD23 ' A' ' 100' ' ' LEU . 30.1 mmmt -61.75 -49.11 77.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.807 -178.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 5.9 p -68.54 -43.6 83.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.113 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -63.81 -39.9 95.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.678 -177.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 115' ' ' LEU . 1.7 tm? -77.5 -31.27 53.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.282 -178.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -64.77 -37.89 94.9 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.139 -0.553 . . . . 0.0 113.209 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 12.4 p -107.05 -12.34 10.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.309 0.575 . . . . 0.0 110.252 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 61.62 59.28 1.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.205 -176.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.1 m 65.21 166.81 0.18 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 114.788 -1.096 . . . . 0.0 112.934 171.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -161.72 -69.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.164 174.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.776 0 CA-C-O 118.648 -1.084 . . . . 0.0 112.103 179.81 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.244 0 CA-C-O 120.663 0.268 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -79.82 -62.42 1.69 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.535 0.684 . . . . 0.0 109.38 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -162.95 21.78 0.09 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.361 -1.291 . . . . 0.0 107.654 175.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -101.06 126.52 47.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.01 -1.45 . . . . 0.0 110.669 -172.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.23 -134.7 7.46 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.409 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.544 HG12 ' HA ' ' A' ' 53' ' ' ALA . 77.1 mt -59.38 122.26 9.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.934 0.397 . . . . 0.0 111.077 177.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -117.59 121.26 40.47 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.806 175.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -80.12 123.56 27.99 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.536 ' NH2' HG13 ' A' ' 61' ' ' VAL . 35.6 mtm-85 -87.17 147.14 25.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.549 -172.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.421 ' HG2' ' HD3' ' A' ' 64' ' ' LYS . 39.5 mt-10 -101.05 105.02 16.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.884 0.373 . . . . 0.0 110.952 -175.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.6 mt -129.44 160.62 32.57 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.026 177.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.8 m -74.4 157.7 35.2 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 176.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.69 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 46.6 t80 -54.26 -56.24 28.44 Favored Pre-proline 0 CA--C 1.544 0.712 0 CA-C-O 119.441 -0.314 . . . . 0.0 111.823 -175.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.69 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 31.7 Cg_exo -58.36 -44.79 35.2 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 121.91 1.74 . . . . 0.0 112.512 174.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -58.11 -51.28 70.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.918 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.82 95.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.104 -176.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 92' ' ' SER . 42.9 tp -59.84 -51.8 68.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.274 0.559 . . . . 0.0 110.166 178.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.445 ' HZ2' HG12 ' A' ' 22' ' ' VAL . 26.9 tptp -58.6 -44.36 89.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.848 178.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.9 tpp85 -61.89 -49.01 77.91 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.163 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.517 ' HA ' HG21 ' A' ' 61' ' ' VAL . . . -60.48 -40.32 90.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 177.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -63.53 -38.42 91.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.56 -176.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.445 HG12 ' HZ2' ' A' ' 18' ' ' LYS . 26.8 m -89.65 -40.73 13.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -172.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -100.79 -38.22 8.37 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.135 -0.626 . . . . 0.0 112.327 -173.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -117.97 -138.07 0.35 Allowed 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.443 -171.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -116.15 -66.35 1.09 Allowed 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.162 -168.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 tt -143.47 161.04 39.46 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.846 -171.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.2 tp -87.64 105.27 17.24 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.86 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.402 ' CZ ' HD23 ' A' ' 87' ' ' LEU . 66.0 t80 -104.42 114.99 29.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.079 0.466 . . . . 0.0 109.829 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.585 HG22 HD21 ' A' ' 63' ' ' LEU . 38.6 t -108.28 132.56 55.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.974 -175.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -109.56 120.15 41.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.005 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.567 ' HB2' ' HB ' ' A' ' 86' ' ' THR . 74.5 m -117.38 113.68 22.45 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 177.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -103.5 147.55 27.02 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.504 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.7 m -99.25 146.17 26.49 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 175.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.29 -9.35 1.48 Allowed 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -171.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -62.95 -44.55 95.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.709 0.29 . . . . 0.0 111.166 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.8 m 57.73 28.55 16.02 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.689 177.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.91 -71.62 0.87 Allowed Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.446 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.484 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 47.1 Cg_exo -55.71 -36.76 95.57 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.017 2.478 . . . . 0.0 112.39 175.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.0 t -58.83 -28.77 66.36 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.053 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -63.64 -45.53 89.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.101 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 -67.33 -37.15 82.83 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.055 0.455 . . . . 0.0 110.659 177.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 38' ' ' PRO . 79.3 mt -65.24 -35.84 82.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.794 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.7 m -62.44 -29.91 70.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.742 -177.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -72.49 -50.43 26.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.938 0.399 . . . . 0.0 111.828 -176.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.445 HG13 ' N ' ' A' ' 46' ' ' VAL . 7.5 p -105.91 -52.52 7.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -173.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.459 HG22 HD22 ' A' ' 42' ' ' LEU . 55.5 t -59.17 -47.34 90.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.584 -175.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -82.71 24.83 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -176.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -134.31 -38.66 0.84 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -60.86 113.17 2.36 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.885 0.374 . . . . 0.0 111.049 -176.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.8 m -69.21 -31.03 69.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.104 -176.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.53 -46.54 79.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.015 0.436 . . . . 0.0 110.702 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.499 HG11 HD11 ' A' ' 6' ' ' ILE . 57.3 t -68.88 -33.97 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.379 176.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.544 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -57.46 -51.23 70.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.663 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.09 -43.25 95.98 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.014 0.435 . . . . 0.0 110.347 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -54.87 -56.39 20.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.338 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -67.27 -52.89 35.2 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -64.72 -30.87 71.9 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -170.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.425 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 7.1 tpm_? -88.41 -34.89 17.39 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.786 -176.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -88.88 -33.74 17.22 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.726 -174.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -125.44 157.79 36.02 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.536 HG13 ' NH2' ' A' ' 9' ' ' ARG . 91.6 t -89.86 120.83 39.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -86.22 120.92 28.11 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.374 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.585 HD21 HG22 ' A' ' 29' ' ' VAL . 64.7 tp -122.14 125.29 45.84 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.539 -176.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HD3' ' HG2' ' A' ' 10' ' ' GLU . 66.6 tttt -93.71 122.77 36.51 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.45 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 97.3 mmm -129.91 133.61 46.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.012 0.434 . . . . 0.0 110.67 176.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.504 ' HB3' ' CB ' ' A' ' 69' ' ' LYS . 8.6 t70 -91.63 155.51 18.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 177.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 20.6 mmt -70.06 -28.3 65.34 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.584 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -115.14 16.05 17.02 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.342 -177.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.504 ' CB ' ' HB3' ' A' ' 66' ' ' ASP . 17.9 tppt? -107.79 111.67 23.95 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.83 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.75 -117.68 9.25 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.62 -0.718 . . . . 0.0 113.301 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -72.37 -4.43 29.93 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 122.439 0.296 . . . . 0.0 111.594 -175.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -55.56 -42.57 84.6 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.899 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 28.6 m -67.07 -34.07 67.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.058 0.456 . . . . 0.0 110.756 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.39 -47.53 63.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.005 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.21 -43.94 97.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.949 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.472 ' HG3' ' CG1' ' A' ' 81' ' ' VAL . 17.9 ttp180 -59.79 -43.44 94.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.338 -178.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -76.14 -23.85 54.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.932 0.396 . . . . 0.0 110.569 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -71.65 -50.02 34.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.199 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.513 ' HH ' HD21 ' A' ' 88' ' ' LEU . 94.7 m-85 -90.94 -7.15 52.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.118 -176.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 57.72 46.41 92.27 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.168 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.477 HG23 ' OG1' ' A' ' 86' ' ' THR . 6.2 p -74.44 120.78 24.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.626 0.726 . . . . 0.0 111.221 -176.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -109.55 8.27 25.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.352 176.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.4 -179.53 4.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.893 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.821 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 33.9 m-85 -95.33 -55.74 0.22 Allowed Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.095 -177.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.821 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 3.4 Cg_endo -87.94 130.01 2.55 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 122.214 1.942 . . . . 0.0 111.156 174.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.567 ' HB ' ' HB2' ' A' ' 31' ' ' CYS . 3.9 m -127.63 105.43 8.47 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.714 -0.395 . . . . 0.0 110.873 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.721 HD11 HD22 ' A' ' 100' ' ' LEU . 79.0 mt -96.38 137.84 34.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 176.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.55 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 19.8 tp -134.98 128.57 32.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.111 -171.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.627 ' HZ ' HG12 ' A' ' 113' ' ' VAL . 73.9 m-85 -110.64 106.54 15.82 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.293 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 57.3 mt -113.17 132.35 62.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.612 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 34.4 p30 -79.21 171.85 14.61 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.422 ' HA ' HD12 ' A' ' 17' ' ' LEU . 19.3 m -73.38 -1.37 17.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 0.0 111.738 -177.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.9 t -87.25 -31.81 20.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.887 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.82 14.3 8.74 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.441 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -113.19 148.17 35.98 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.767 0.317 . . . . 0.0 110.475 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.7 p -86.57 129.82 37.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.284 0.564 . . . . 0.0 110.52 178.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.6 t -93.23 -42.72 13.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.288 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -143.99 137.77 27.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.707 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -118.98 135.52 54.57 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.721 HD22 HD11 ' A' ' 87' ' ' LEU . 55.4 tp -126.37 107.23 10.1 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.059 0.457 . . . . 0.0 110.599 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 15.1 m -102.29 122.54 54.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.057 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.1 150.52 26.85 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -175.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.493 ' HB2' HD12 ' A' ' 109' ' ' LEU . . . -153.28 141.77 20.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.817 0.342 . . . . 0.0 111.573 -176.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -101.31 -174.14 2.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.434 174.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -59.55 170.17 1.11 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.975 0.416 . . . . 0.0 111.899 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.582 ' HB2' ' HD3' ' A' ' 107' ' ' PRO . . . -46.02 -57.49 8.08 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -169.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.582 ' HD3' ' HB2' ' A' ' 106' ' ' ALA . 27.4 Cg_exo -62.21 -43.53 23.3 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 121.715 1.61 . . . . 0.0 112.536 -174.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -73.21 -32.9 65.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.788 -176.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.493 HD12 ' HB2' ' A' ' 103' ' ' ALA . 54.2 tp -65.09 -51.25 62.45 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.179 174.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 55.4 tp -54.47 -46.21 73.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.683 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.58 -38.72 91.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.748 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -69.05 -38.78 79.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.711 -178.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.627 HG12 ' HZ ' ' A' ' 89' ' ' PHE . 93.2 t -63.95 -46.68 93.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.524 177.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -62.34 -42.85 99.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.64 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.9 tp -72.8 -11.01 60.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.112 0.482 . . . . 0.0 110.772 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -80.11 -22.23 63.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.098 -0.572 . . . . 0.0 111.987 176.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 43.9 t -109.63 -45.32 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.743 0.306 . . . . 0.0 110.367 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 67.85 178.76 0.24 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.548 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.4 m -99.43 -46.29 5.54 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.261 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -103.79 175.33 5.52 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.8 -1.0 . . . . 0.0 111.267 179.044 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -78.8 96.12 5.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.441 0.639 . . . . 0.0 111.098 -176.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.9 81.53 1.15 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.158 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -118.06 -32.39 4.75 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.557 -175.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 94.05 -174.22 33.95 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.677 -0.773 . . . . 0.0 113.152 174.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.553 HG12 ' HA ' ' A' ' 53' ' ' ALA . 19.1 mt -68.72 114.48 5.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.885 0.374 . . . . 0.0 110.481 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -98.01 96.86 8.44 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.135 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.511 ' CB ' ' HB2' ' A' ' 64' ' ' LYS . 77.3 m-85 -71.28 112.32 7.32 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 175.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -68.06 133.37 48.87 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.076 -174.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.7 mp0 -81.39 94.13 6.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.623 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.536 ' HB2' HD12 ' A' ' 63' ' ' LEU . 83.7 mt -113.02 152.65 29.22 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.194 174.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.8 m -81.83 169.3 17.04 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.447 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 63.8 t80 -55.29 -54.52 49.79 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-O 119.573 -0.251 . . . . 0.0 110.96 178.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.447 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 20.5 Cg_endo -61.16 -39.65 57.19 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 121.915 1.743 . . . . 0.0 112.32 176.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -58.04 -54.22 49.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.006 0.432 . . . . 0.0 111.542 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.432 ' HB1' HD22 ' A' ' 27' ' ' LEU . . . -63.89 -41.33 97.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.946 -177.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.0 tp -63.35 -45.11 92.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.3 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -56.27 -50.52 71.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.837 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -63.13 -36.25 82.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.283 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.516 ' HB1' ' HA ' ' A' ' 92' ' ' SER . . . -58.51 -51.25 70.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.059 0.457 . . . . 0.0 110.751 176.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.33 -51.24 66.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.511 -177.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.1 m -79.11 -32.01 14.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -170.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -100.04 -23.04 15.0 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.635 -174.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.6 t70 64.99 90.29 0.09 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.293 0.568 . . . . 0.0 111.89 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -176.49 121.76 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.608 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.556 HD21 ' HA ' ' A' ' 91' ' ' ASN . 72.8 mt -63.3 154.7 30.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.404 0.621 . . . . 0.0 112.014 -172.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.674 ' HG ' ' HB ' ' A' ' 61' ' ' VAL . 10.1 mp -101.22 143.78 30.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.662 -174.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -122.12 107.57 12.34 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 168.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.71 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 23.7 t -104.27 127.52 58.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.264 -172.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -98.91 112.7 24.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.433 173.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.2 m -122.09 112.3 18.06 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.477 ' O ' ' HG2' ' A' ' 67' ' ' MET . 50.4 p90 -127.11 165.65 19.14 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.495 0.664 . . . . 0.0 111.478 -174.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.9 m -99.39 151.63 20.87 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.922 -1.035 . . . . 0.0 108.85 173.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.6 m -43.48 -44.5 5.96 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.141 0.496 . . . . 0.0 110.97 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -82.48 94.2 7.4 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 170.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.565 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 6.6 p -134.05 83.01 2.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.25 0.547 . . . . 0.0 110.939 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.27 -65.4 3.59 Favored Glycine 0 CA--C 1.517 0.208 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.936 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.519 ' HB2' ' HB1' ' A' ' 103' ' ' ALA . 9.7 Cg_endo -53.71 -36.82 83.08 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.915 2.41 . . . . 0.0 112.838 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.565 ' HB3' ' HB2' ' A' ' 36' ' ' CYS . 53.0 t -64.62 -50.39 67.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.679 0.276 . . . . 0.0 110.467 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 71.3 mmtt -66.49 -28.33 68.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.822 179.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -63.12 -47.25 83.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.447 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.486 HD21 ' HB2' ' A' ' 103' ' ' ALA . 4.2 pp -78.9 -20.07 50.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.2 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.698 ' O ' ' HB2' ' A' ' 47' ' ' PHE . 71.3 m -58.52 -29.94 66.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 111.63 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -78.91 -46.88 17.51 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.285 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.526 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 6.8 m -89.24 -40.79 13.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -173.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.8 t -78.89 -33.12 15.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 O-C-N 122.186 -0.321 . . . . 0.0 110.844 -177.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.698 ' HB2' ' O ' ' A' ' 43' ' ' SER . 10.2 m-85 -91.05 19.31 5.82 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -176.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -113.34 -11.52 13.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.247 0.546 . . . . 0.0 110.206 171.562 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -92.0 114.76 27.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.447 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.7 t -69.62 -32.01 70.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.209 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.48 -42.22 71.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.616 0.246 . . . . 0.0 111.405 -176.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 84.6 t -61.75 -44.13 98.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.03 0.443 . . . . 0.0 110.081 175.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.553 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -61.34 -48.31 81.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.936 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -57.14 -43.31 82.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.132 178.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -56.19 -47.23 78.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.236 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -74.7 -42.23 58.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.608 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.582 ' HA ' ' OD1' ' A' ' 62' ' ' ASN . 26.1 t-20 -61.97 -37.54 85.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.726 -175.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -83.76 -46.84 11.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.977 -176.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 -84.89 -17.63 37.3 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -170.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -137.56 169.44 17.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.996 0.426 . . . . 0.0 110.88 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.674 ' HB ' ' HG ' ' A' ' 27' ' ' LEU . 61.1 t -92.48 121.8 43.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 173.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.582 ' OD1' ' HA ' ' A' ' 57' ' ' ASN . 7.1 m120 -83.57 115.96 22.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.113 -178.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.536 HD12 ' HB2' ' A' ' 11' ' ' LEU . 45.8 tp -126.61 129.32 48.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.768 0.318 . . . . 0.0 111.274 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.511 ' HB2' ' CB ' ' A' ' 8' ' ' PHE . 61.0 tttm -114.06 127.82 56.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.062 175.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 30.9 ttm -143.15 122.85 13.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.102 0.477 . . . . 0.0 110.367 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.635 ' HB2' ' HG2' ' A' ' 69' ' ' LYS . 4.1 m-20 -93.96 155.44 17.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.132 -173.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.477 ' HG2' ' O ' ' A' ' 32' ' ' PHE . 22.9 mmt -77.91 4.38 12.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.761 -176.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -114.37 9.28 16.84 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.085 0.469 . . . . 0.0 110.333 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.635 ' HG2' ' HB2' ' A' ' 66' ' ' ASP . 69.4 mmtt -104.16 163.86 12.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.726 -178.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.25 -16.32 62.29 Favored Glycine 0 N--CA 1.453 -0.197 0 CA-C-N 115.931 -0.577 . . . . 0.0 114.07 -172.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -112.77 -6.44 13.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.289 0.545 . . . . 0.0 110.962 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.56 -46.26 32.82 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.819 -0.705 . . . . 0.0 113.344 -173.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.2 m -68.7 -19.66 24.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 121.034 -0.267 . . . . 0.0 111.076 -175.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -65.45 -52.01 56.08 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.261 0.553 . . . . 0.0 109.658 177.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 76.7 mt -67.08 -36.05 81.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.637 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.485 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 62.0 ttp180 -57.16 -50.44 72.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.222 -179.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -73.93 -27.98 61.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.129 0.49 . . . . 0.0 110.512 -177.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -73.64 -32.84 64.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.616 -175.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -115.54 16.06 16.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -173.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.12 28.11 70.81 Favored Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 120.926 -0.654 . . . . 0.0 113.173 174.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.52 HG23 HG22 ' A' ' 86' ' ' THR . 30.6 t -79.86 147.13 6.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -127.02 -72.07 0.66 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -175.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -153.76 32.22 0.45 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.082 0.467 . . . . 0.0 111.566 -174.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.668 ' HB3' ' HD2' ' A' ' 85' ' ' PRO . 98.6 m-85 -127.4 178.87 1.39 Allowed Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.625 -178.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.668 ' HD2' ' HB3' ' A' ' 84' ' ' TYR . 57.1 Cg_endo -76.59 130.62 11.84 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 121.725 1.617 . . . . 0.0 110.992 163.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.53 HG21 ' HA ' ' A' ' 101' ' ' VAL . 25.2 m -131.66 129.61 41.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.924 0.393 . . . . 0.0 110.937 -176.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.0 mt -94.99 132.78 39.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.155 -176.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.71 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 94.9 mt -120.92 121.79 38.8 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.891 0.377 . . . . 0.0 111.249 -177.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -102.61 106.78 17.51 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.479 HD12 HG22 ' A' ' 29' ' ' VAL . 58.9 mt -114.14 143.27 24.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.027 0.441 . . . . 0.0 111.329 -172.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.556 ' HA ' HD21 ' A' ' 26' ' ' LEU . 92.2 m-20 -87.76 -167.96 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.876 177.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.516 ' HA ' ' HB1' ' A' ' 20' ' ' ALA . 6.8 m -72.87 -43.9 62.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.576 -177.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.4 m -92.7 28.24 2.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.882 0.372 . . . . 0.0 110.381 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 91' ' ' ASN . . . 84.96 -129.55 9.3 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -170.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 56.84 95.99 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 117.241 0.52 . . . . 0.0 111.918 172.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.7 m -66.41 114.15 3.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.242 0.544 . . . . 0.0 110.489 177.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.3 p -77.81 -29.27 15.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.28 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -150.11 141.78 23.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.901 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -123.64 143.81 50.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.039 0.447 . . . . 0.0 110.732 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.1 tt -152.69 108.38 3.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.759 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.53 ' HA ' HG21 ' A' ' 86' ' ' THR . 48.5 t -92.03 105.64 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.18 175.32 14.34 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.083 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.519 ' HB1' ' HB2' ' A' ' 38' ' ' PRO . . . -144.91 126.69 15.29 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -99.01 169.07 9.69 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.487 -175.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.609 ' OD1' ' HD2' ' A' ' 107' ' ' PRO . 1.5 p30 -69.91 166.49 19.4 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 110.224 -0.288 . . . . 0.0 110.224 174.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.578 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -46.1 -54.74 15.83 Favored Pre-proline 0 CA--C 1.54 0.585 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -173.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.609 ' HD2' ' OD1' ' A' ' 105' ' ' ASP . 24.3 Cg_exo -63.44 -47.7 7.18 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 122.036 1.824 . . . . 0.0 112.474 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 112' ' ' LYS . 12.1 tp10 -68.96 -32.65 72.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.827 -176.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 25.9 tp -67.16 -49.22 65.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.927 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 44.2 tp -61.61 -37.84 85.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.428 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.427 ' HG3' HD21 ' A' ' 115' ' ' LEU . 23.7 ttmm -70.07 -35.07 73.95 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.908 176.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 108' ' ' GLU . 6.0 tppt? -63.47 -44.47 94.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.107 -178.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.2 p -72.75 -41.42 61.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.962 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -66.66 -54.68 20.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.605 0.24 . . . . 0.0 111.417 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.427 HD21 ' HG3' ' A' ' 111' ' ' LYS . 4.5 mm? -73.81 -7.43 52.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 111.462 -176.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -90.16 -15.97 56.57 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.348 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.57 -52.63 2.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-O 120.662 0.268 . . . . 0.0 111.209 -177.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -83.72 102.77 12.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.958 0.409 . . . . 0.0 110.59 -176.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.9 m -96.49 -81.23 0.42 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.326 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -114.86 96.09 5.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.032 0.444 . . . . 0.0 110.381 -177.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.788 0 CA-C-O 118.702 -1.054 . . . . 0.0 111.31 -178.147 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -146.85 -86.88 0.1 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.815 0.341 . . . . 0.0 110.293 -178.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -154.97 30.49 0.41 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -97.29 -34.66 10.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.816 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 47' ' ' PHE . . . 171.67 162.67 24.33 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.564 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.561 HG12 ' HA ' ' A' ' 53' ' ' ALA . 29.9 mt -64.91 134.16 29.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.873 0.368 . . . . 0.0 110.52 176.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.87 95.28 8.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.761 -178.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.787 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 89.2 m-85 -82.06 139.16 34.62 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.204 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -119.52 136.79 54.19 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.77 96.19 6.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.481 0.658 . . . . 0.0 111.789 -177.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -112.07 167.52 10.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.54 175.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.8 t -70.59 162.02 29.66 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 171.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.61 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 79.3 t80 -59.53 -53.63 63.89 Favored Pre-proline 0 CA--C 1.538 0.488 0 CA-C-O 119.327 -0.368 . . . . 0.0 111.724 -176.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.61 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 52.7 Cg_exo -53.21 -44.88 45.22 Favored 'Trans proline' 0 C--N 1.359 1.098 0 C-N-CA 121.928 1.752 . . . . 0.0 112.181 174.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.632 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 14.6 tp10 -57.89 -55.02 40.29 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.842 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.6 -36.94 82.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.656 -177.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.6 tp -61.73 -49.77 75.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.441 0.639 . . . . 0.0 109.974 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -62.5 -43.44 98.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.922 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 12.9 mmt180 -57.83 -42.46 84.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.024 178.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.666 ' HA ' ' HB2' ' A' ' 24' ' ' ASP . . . -63.17 -45.63 90.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -57.09 -37.34 71.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.835 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.7 t -87.81 -55.42 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -176.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -98.94 -33.69 10.75 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -169.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.666 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 15.8 m-20 -110.31 -150.15 0.45 Allowed 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.715 -172.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.454 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 50.0 tptt -129.59 -85.37 0.55 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.449 0.166 . . . . 0.0 110.593 178.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.541 ' HG ' ' HA ' ' A' ' 91' ' ' ASN . 8.8 mp -98.75 -176.6 3.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.593 0.235 . . . . 0.0 110.396 177.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.52 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 68.2 tp -110.95 119.81 40.29 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.902 0.382 . . . . 0.0 111.115 -175.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.455 ' HB2' ' CB ' ' A' ' 60' ' ' PHE . 89.1 t80 -98.66 107.38 19.82 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 175.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.557 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 39.3 t -95.0 105.0 16.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.749 -177.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -90.85 110.53 21.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.137 174.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 97.6 m -123.32 113.63 19.12 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.352 176.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.475 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 21.9 p90 -129.09 165.4 21.3 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.54 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.453 HG22 ' H ' ' A' ' 35' ' ' TRP . 28.2 m -99.36 147.82 24.82 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.091 177.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -57.66 -28.65 63.95 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.453 ' H ' HG22 ' A' ' 33' ' ' THR . 84.3 t90 -57.53 111.13 1.02 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.489 171.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.431 ' HB3' ' HE3' ' A' ' 40' ' ' LYS . 91.3 m -79.51 99.34 7.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.234 0.54 . . . . 0.0 111.537 -174.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.8 -116.34 1.86 Allowed Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.367 175.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.443 ' HB2' ' HG3' ' A' ' 85' ' ' PRO . 32.0 Cg_exo -60.43 -28.33 86.54 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 123.023 2.482 . . . . 0.0 112.512 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.7 p -59.19 -35.57 73.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.7 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.431 ' HE3' ' HB3' ' A' ' 36' ' ' CYS . 40.9 ttmt -69.85 -45.53 67.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.741 0.305 . . . . 0.0 110.684 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -66.66 -35.44 80.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.03 0.443 . . . . 0.0 110.217 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.423 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 63.4 tp -60.94 -46.86 88.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.658 177.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.1 t -75.66 -39.56 57.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 -176.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 17.6 tppt? -79.58 -42.44 25.0 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -174.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.6 t -94.63 -50.36 11.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -173.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.466 HG12 ' HA ' ' A' ' 106' ' ' ALA . 49.1 t -72.76 -52.31 23.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 111.531 -174.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.434 ' O ' ' HA2' ' A' ' 5' ' ' GLY . 22.6 m-85 -82.21 16.02 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.38 -0.373 . . . . 0.0 112.001 -174.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 52.8 tttp -83.89 -31.46 25.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.921 0.391 . . . . 0.0 110.853 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -69.72 139.0 53.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.496 -174.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.9 p -69.08 -37.33 78.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.749 -176.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.49 -41.75 75.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.329 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.0 t -63.89 -44.72 98.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.121 174.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.561 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -56.85 -50.14 73.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.43 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -68.08 -35.48 78.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.431 -177.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -57.89 -51.8 68.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.103 0.478 . . . . 0.0 110.528 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -72.94 -29.88 63.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -70.08 -38.49 75.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.992 0.425 . . . . 0.0 111.493 -178.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -83.73 -40.48 18.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.803 0.335 . . . . 0.0 111.407 -175.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -80.22 -28.01 38.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.41 -174.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.455 ' CB ' ' HB2' ' A' ' 28' ' ' PHE . 78.2 m-85 -136.94 153.95 50.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.236 -177.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.4 p -81.24 127.78 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 168.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -80.18 95.7 6.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.366 -176.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 56.0 tp -104.79 125.5 50.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.593 -178.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.787 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 89.2 tttt -108.2 134.72 50.66 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.241 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.4 mmt -132.03 159.25 39.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.028 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -102.99 157.05 17.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 172.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 41.1 mtt -96.87 -8.84 29.88 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 120.834 0.349 . . . . 0.0 111.351 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -115.0 -40.67 3.45 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.444 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -93.28 117.32 29.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.307 -175.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.97 -116.33 4.64 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.029 -0.605 . . . . 0.0 113.302 172.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -85.98 6.65 27.69 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.345 0.258 . . . . 0.0 111.225 -174.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.26 -57.0 22.02 Favored Glycine 0 N--CA 1.453 -0.172 0 CA-C-N 116.259 -0.428 . . . . 0.0 113.761 -172.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 28.0 m -60.21 -32.67 51.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.806 0.336 . . . . 0.0 111.171 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 44.6 mt-10 -75.35 -46.87 30.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.266 -178.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.42 -36.65 84.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.882 0.372 . . . . 0.0 110.609 178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.66 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 53.4 ttp180 -62.16 -36.99 83.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.183 177.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -76.68 -26.76 55.12 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.465 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 67.8 mmtt -69.47 -49.52 54.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.812 -178.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -100.8 2.63 41.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.513 -173.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.43 44.05 91.2 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.434 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.66 ' HB ' ' HG3' ' A' ' 76' ' ' ARG . 58.5 t -76.33 125.8 36.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.721 0.296 . . . . 0.0 110.84 -176.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -127.41 12.75 7.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.321 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.03 177.68 5.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.148 -177.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.696 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 77.6 m-85 -92.3 -51.82 0.28 Allowed Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.696 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 58.4 Cg_endo -94.6 110.04 0.15 Allowed 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.397 2.065 . . . . 0.0 112.03 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.8 m -128.0 136.25 51.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.827 0.346 . . . . 0.0 111.071 -175.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.8 mp -125.92 121.9 34.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.299 178.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.557 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 3.2 mm? -116.54 125.75 52.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.008 0.433 . . . . 0.0 111.055 178.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -101.68 108.27 19.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.43 176.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.52 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 48.8 mm -110.41 141.25 26.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.723 -174.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.541 ' HA ' ' HG ' ' A' ' 26' ' ' LEU . 16.3 t-20 -74.52 172.0 12.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.089 0.471 . . . . 0.0 110.042 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.6 m -72.6 -15.91 61.73 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.501 -177.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.464 ' HB2' ' HG2' ' A' ' 95' ' ' GLU . 3.9 m -93.56 6.45 48.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.618 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.04 26.38 62.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.939 -176.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.464 ' HG2' ' HB2' ' A' ' 93' ' ' SER . 23.2 mm-40 -97.15 147.73 23.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.527 -0.336 . . . . 0.0 111.018 -176.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 65.4 t -81.78 108.56 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.971 0.415 . . . . 0.0 110.579 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 64.1 t -86.71 -56.84 4.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -178.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -153.57 127.54 8.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.908 -177.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.422 ' HA ' HD12 ' A' ' 88' ' ' LEU . 17.0 ptp180 -95.78 145.18 25.53 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.3 tp -136.23 107.65 6.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.139 0.495 . . . . 0.0 110.639 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 62.9 t -101.15 107.98 22.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.514 177.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.86 144.66 16.97 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -175.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -122.03 136.78 54.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.081 0.467 . . . . 0.0 111.412 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -96.35 -175.88 3.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.776 176.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -71.49 168.92 16.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.561 0.219 . . . . 0.0 111.027 179.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.532 ' HB1' ' HD3' ' A' ' 107' ' ' PRO . . . -46.81 -53.52 25.46 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -171.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.532 ' HD3' ' HB1' ' A' ' 106' ' ' ALA . 36.4 Cg_exo -59.9 -50.23 8.15 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 121.927 1.752 . . . . 0.0 112.777 -177.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -74.19 -26.36 60.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.7 -175.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.5 tp -66.6 -49.4 66.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.366 0.603 . . . . 0.0 109.787 174.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 54.3 tp -58.32 -34.66 70.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.686 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -67.69 -44.24 78.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.645 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -65.85 -42.22 90.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.096 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.1 -40.06 86.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.49 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -66.07 -45.48 81.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.01 0.433 . . . . 0.0 110.4 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.3 tp -63.98 -30.7 71.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.343 -177.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.41 -45.2 24.9 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.618 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 48.8 t -75.29 -43.28 43.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.62 0.247 . . . . 0.0 110.853 -177.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -71.91 116.96 12.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.5 m -77.7 109.24 11.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.242 0.544 . . . . 0.0 111.682 -176.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -159.48 -53.61 0.06 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 174.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.529 -1.151 . . . . 0.0 112.35 172.056 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 120.766 0.317 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -95.17 6.12 49.91 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.341 0.591 . . . . 0.0 110.271 -178.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.528 ' HB2' ' HE2' ' A' ' 48' ' ' LYS . . . -131.97 108.16 9.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.133 177.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -93.81 -10.9 32.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.737 -174.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 84.14 -137.49 16.03 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.091 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.0 mt -65.89 116.87 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.911 0.386 . . . . 0.0 110.459 178.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.39 92.23 8.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.022 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 62' ' ' ASN . 96.3 m-85 -71.61 137.89 48.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.94 177.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.407 ' O ' HD13 ' A' ' 63' ' ' LEU . 51.9 mtt180 -77.09 156.28 31.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.805 -177.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -125.05 94.6 4.22 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 177.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.7 mt -145.39 167.17 23.58 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.165 -176.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.468 ' HB2' ' HG2' ' A' ' 15' ' ' GLU . 14.7 m -65.22 147.71 52.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 174.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.623 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 65.8 t80 -58.03 -52.71 72.48 Favored Pre-proline 0 CA--C 1.541 0.616 0 CA-C-O 119.4 -0.333 . . . . 0.0 111.873 -177.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.623 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 77.0 Cg_exo -51.04 -43.65 46.79 Favored 'Trans proline' 0 C--N 1.362 1.238 0 C-N-CA 122.333 2.022 . . . . 0.0 112.552 174.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.468 ' HG2' ' HB2' ' A' ' 12' ' ' SER . 40.2 mm-40 -59.63 -50.61 73.21 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.988 178.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.5 -36.72 84.7 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.082 -177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.2 tp -61.14 -47.2 87.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.545 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -56.19 -51.5 67.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.132 178.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -61.31 -37.9 84.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.128 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.08 -35.78 79.69 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.222 178.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -69.4 -41.42 76.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.871 0.367 . . . . 0.0 111.188 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.2 t -83.98 -48.93 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.98 -174.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -84.0 -32.18 25.08 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -172.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.675 ' OD2' ' HA ' ' A' ' 60' ' ' PHE . 11.7 t70 -135.5 -132.61 0.15 Allowed 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.551 -171.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.608 ' HG3' ' HG ' ' A' ' 26' ' ' LEU . 4.2 ptpt -151.1 -40.25 0.12 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.592 -171.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.608 ' HG ' ' HG3' ' A' ' 25' ' ' LYS . 96.0 mt -135.64 141.62 45.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.056 0.455 . . . . 0.0 110.801 -176.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.563 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 52.6 tp -95.57 115.5 27.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.979 178.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -90.98 107.98 19.55 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.568 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.87 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 38.3 t -99.22 123.1 51.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.948 0.404 . . . . 0.0 111.0 -176.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -99.68 105.03 16.81 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.208 176.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.2 m -110.3 142.44 41.93 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.289 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -152.91 167.0 30.56 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.466 -178.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.5 p -98.98 154.97 17.67 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.016 174.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.5 m -73.33 -16.18 61.37 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.203 0.525 . . . . 0.0 109.883 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -61.8 108.86 1.08 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.326 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 66.1 m 59.7 -159.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.527 0.517 . . . . 0.0 110.249 -178.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.07 75.46 0.41 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.314 -0.946 . . . . 0.0 112.246 175.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.55 -46.33 5.54 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.56 2.174 . . . . 0.0 111.984 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.6 t -81.12 -36.37 30.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.112 0.482 . . . . 0.0 109.732 176.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -60.24 -24.48 64.9 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.037 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -57.73 -47.24 83.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.056 175.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.1 mp -72.35 -31.55 65.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.499 -177.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.434 ' HA ' ' HB2' ' A' ' 47' ' ' PHE . 11.2 m -58.4 -29.78 66.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.121 0.486 . . . . 0.0 110.837 177.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.534 ' HB2' ' HZ2' ' A' ' 44' ' ' LYS . 4.2 ttmp? -69.56 -58.99 3.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.512 -177.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.5 t -110.78 -53.11 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -177.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 73.6 t -55.96 -49.98 72.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -173.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.434 ' HB2' ' HA ' ' A' ' 43' ' ' SER . 19.5 m-30 -73.37 1.81 8.89 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -175.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.631 ' HZ2' ' HB3' ' A' ' 48' ' ' LYS . 4.4 mmmp? -92.33 -11.12 35.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.706 0.288 . . . . 0.0 110.584 176.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -65.61 126.09 27.26 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.2 m -69.26 -35.38 76.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.645 -173.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.3 mt -69.21 -52.44 27.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.753 0.311 . . . . 0.0 111.228 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.491 HG23 ' HB1' ' A' ' 106' ' ' ALA . 78.2 t -62.91 -44.48 99.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.188 -178.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.93 -48.93 79.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.998 0.428 . . . . 0.0 110.375 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.53 -36.75 79.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.173 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -65.49 -59.27 4.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.108 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -64.51 -30.96 71.99 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -177.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -72.23 -44.47 62.86 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.7 ttp-105 -89.44 -34.96 16.27 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -175.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.484 ' O ' ' HE3' ' A' ' 25' ' ' LYS . 86.0 m-70 -88.83 -12.55 41.62 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -173.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.675 ' HA ' ' OD2' ' A' ' 24' ' ' ASP . 85.3 m-85 -148.14 176.1 10.49 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.439 HG23 ' CB ' ' A' ' 24' ' ' ASP . 82.1 t -111.59 117.55 55.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 171.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.427 ' HB2' ' CD1' ' A' ' 8' ' ' PHE . 4.3 p30 -97.18 132.71 42.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.458 0.647 . . . . 0.0 111.556 -177.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.407 HD13 ' O ' ' A' ' 9' ' ' ARG . 15.1 tp -136.29 129.61 31.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.709 -177.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.48 ' HD3' ' O ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -96.45 150.75 20.26 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.548 178.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 53.4 ttm -148.93 128.12 12.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.823 0.344 . . . . 0.0 110.842 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -70.81 155.71 40.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.712 173.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 43.1 ttm -94.01 -8.34 40.21 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.2 0.524 . . . . 0.0 110.706 -177.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -114.88 15.49 17.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.218 0.533 . . . . 0.0 110.361 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -149.76 151.82 34.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.328 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.01 46.68 90.72 Favored Glycine 0 CA--C 1.517 0.217 0 O-C-N 123.426 0.454 . . . . 0.0 113.826 172.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 67.84 15.61 9.61 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 122.751 0.42 . . . . 0.0 112.05 176.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.99 -32.72 81.21 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.152 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.77 -32.91 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.943 0.401 . . . . 0.0 110.487 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -67.86 -43.24 79.91 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.508 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 78.8 mt -66.49 -33.95 76.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.568 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -55.18 -50.11 70.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.514 176.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -74.16 -32.08 62.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.996 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -61.79 -49.16 77.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.271 -176.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -96.0 -4.19 43.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.402 -176.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.74 51.61 55.75 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.269 -0.491 . . . . 0.0 112.223 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.9 p -70.82 134.3 30.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.101 0.477 . . . . 0.0 111.368 -176.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -110.37 -6.92 14.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.847 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -110.17 -176.32 2.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.007 -176.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.545 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 94.0 m-85 -92.75 -47.0 0.31 Allowed Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -177.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.545 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 95.5 Cg_endo -92.56 147.32 2.76 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 121.871 1.714 . . . . 0.0 112.117 174.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.415 ' HG1' ' C ' ' A' ' 85' ' ' PRO . 22.6 m -151.66 128.29 10.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.733 0.302 . . . . 0.0 111.067 178.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.662 HD13 HD23 ' A' ' 100' ' ' LEU . 86.4 mt -109.08 130.54 55.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.976 0.417 . . . . 0.0 109.893 176.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.87 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 3.1 mm? -116.83 139.72 50.28 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.819 -175.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -114.9 106.14 13.82 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 176.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.563 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 46.2 mm -102.35 136.33 35.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.894 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.406 HD22 ' HG3' ' A' ' 95' ' ' GLU . 33.9 p30 -91.1 178.81 5.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.976 0.417 . . . . 0.0 110.951 -178.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 t -75.87 -13.94 60.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 -175.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.8 t -74.06 -21.36 59.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.44 177.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 97.19 29.9 7.7 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.149 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.406 ' HG3' HD22 ' A' ' 91' ' ' ASN . 8.6 pt-20 -142.59 167.34 22.33 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.6 p -84.84 137.16 21.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.254 0.55 . . . . 0.0 111.012 -176.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 12.9 p -95.69 -31.77 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.819 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -166.16 150.5 7.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.569 ' HD3' ' H ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -121.63 134.25 54.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 177.596 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.662 HD23 HD13 ' A' ' 87' ' ' LEU . 32.9 tp -111.2 114.21 27.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.387 -177.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 44.6 t -102.08 101.19 11.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.916 0.389 . . . . 0.0 110.065 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.56 135.06 8.61 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.923 -0.655 . . . . 0.0 111.691 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -127.05 141.89 51.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.937 0.399 . . . . 0.0 110.757 -176.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -100.58 -175.61 2.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.373 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -60.52 169.56 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.436 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.594 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -48.46 -55.42 19.24 Favored Pre-proline 0 CA--C 1.542 0.637 0 N-CA-C 113.372 0.878 . . . . 0.0 113.372 -173.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.594 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 24.1 Cg_exo -63.7 -46.27 9.34 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 121.872 1.715 . . . . 0.0 112.474 -178.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -67.92 -29.5 68.6 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.046 -177.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.7 tp -58.94 -55.84 29.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.92 0.391 . . . . 0.0 110.973 178.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 107' ' ' PRO . 3.1 pp -64.7 -31.17 72.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.289 -176.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -68.93 -51.23 42.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.236 0.541 . . . . 0.0 110.063 175.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -59.26 -38.78 80.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.677 -176.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.468 ' O ' HG22 ' A' ' 117' ' ' VAL . 12.2 p -70.61 -40.39 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.861 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -61.67 -49.19 77.51 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 120.804 0.335 . . . . 0.0 111.446 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.78 -24.8 59.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.022 0.439 . . . . 0.0 110.873 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -70.91 -50.08 25.41 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.629 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 113' ' ' VAL . 30.8 m -84.43 2.81 3.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.943 0.401 . . . . 0.0 110.914 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 64.17 -171.7 0.18 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.395 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.4 m -146.89 121.19 9.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.543 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -83.43 139.71 32.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.682 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.845 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.493 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.643 0.259 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -159.38 -58.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.598 -0.273 . . . . 0.0 110.333 177.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 55.11 72.0 0.5 Allowed 'General case' 0 C--O 1.233 0.21 0 O-C-N 123.805 0.69 . . . . 0.0 111.41 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -74.49 96.18 2.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.59 0.709 . . . . 0.0 109.81 177.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.488 ' HA2' ' O ' ' A' ' 47' ' ' PHE . . . 117.0 100.42 2.13 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -173.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.541 HG22 ' HB1' ' A' ' 53' ' ' ALA . 9.9 pt -58.91 148.01 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.035 0.445 . . . . 0.0 111.942 -177.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -103.87 123.15 46.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.974 -170.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.681 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 90.3 m-85 -67.49 103.36 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.768 172.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -82.76 141.77 32.11 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -106.62 121.25 43.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.111 -169.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 44.0 mt -137.91 161.11 37.51 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.728 175.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.6 t -76.27 165.76 24.42 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.091 177.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.496 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 74.4 t80 -55.02 -53.02 66.12 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.055 -177.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 11.3 Cg_endo -55.41 -34.44 89.09 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.237 1.958 . . . . 0.0 112.769 178.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 19' ' ' ARG . 16.7 mm-40 -70.29 -53.68 15.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.87 178.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.89 -38.41 88.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.085 -177.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.0 tp -57.14 -54.01 51.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.534 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -64.86 -41.37 95.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.79 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -57.79 -45.91 85.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.685 -178.459 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.63 -31.14 67.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.917 0.389 . . . . 0.0 110.769 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -70.47 -46.16 64.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.631 -178.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.9 m -77.89 -31.11 16.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -174.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -90.9 -18.69 24.33 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.654 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.3 t70 55.53 76.95 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.731 0.777 . . . . 0.0 110.541 -175.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -142.35 151.79 42.26 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.412 177.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.12 112.43 9.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.291 0.567 . . . . 0.0 109.958 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.3 tp -75.11 128.27 35.13 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.493 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -113.59 104.31 12.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.574 176.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.704 HG23 HD22 ' A' ' 63' ' ' LEU . 56.1 t -98.67 117.62 43.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.429 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -79.77 99.02 7.27 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 173.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.611 ' HB3' ' SD ' ' A' ' 67' ' ' MET . 86.6 m -97.31 111.56 23.75 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 174.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -120.49 160.08 23.87 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.034 -172.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.726 ' HB ' ' CE3' ' A' ' 35' ' ' TRP . 17.5 p -100.72 148.58 24.73 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 167.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.7 t -76.77 11.1 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.847 0.356 . . . . 0.0 111.521 -174.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.726 ' CE3' ' HB ' ' A' ' 33' ' ' THR . 1.1 m-90 -66.02 83.08 0.08 Allowed 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 173.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 64.2 m 70.87 -52.58 0.68 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.837 0.855 . . . . 0.0 111.516 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.39 82.7 1.09 Allowed Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.38 -38.39 90.63 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.82 2.347 . . . . 0.0 112.424 -176.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.7 p -67.56 -20.15 65.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.701 -178.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -65.16 -54.02 36.12 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.942 0.401 . . . . 0.0 110.144 176.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 41' ' ' ARG . 20.5 ttt180 -63.33 -37.95 89.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.391 179.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.602 ' O ' HG22 ' A' ' 46' ' ' VAL . 95.6 mt -62.36 -46.52 88.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.755 177.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.4 t -53.17 -34.21 55.94 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 122.699 0.4 . . . . 0.0 111.572 -176.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.85 -35.63 81.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.993 -177.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 51.4 t -108.69 -46.81 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -172.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 42' ' ' LEU . 16.6 m -77.14 -21.93 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -170.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.488 ' O ' ' HA2' ' A' ' 5' ' ' GLY . 28.1 m-85 -113.92 24.67 11.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.855 0.36 . . . . 0.0 111.276 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -88.84 -30.52 18.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.94 -175.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -72.0 135.09 46.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.968 -177.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.9 t -68.24 -41.71 80.79 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.557 -175.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.2 mt -68.9 -49.55 57.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.748 0.308 . . . . 0.0 110.822 -177.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 96.3 t -59.79 -45.24 94.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.704 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.541 ' HB1' HG22 ' A' ' 6' ' ' ILE . . . -57.58 -50.83 71.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.812 -176.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -63.99 -50.86 66.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.449 -177.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -61.9 -46.41 89.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.976 -177.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -67.91 -51.55 46.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.249 -175.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.494 ' HB2' HG23 ' A' ' 6' ' ' ILE . 12.6 t30 -68.8 -30.81 69.46 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -171.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 58' ' ' ARG . 45.1 mtm180 -86.75 -24.81 24.98 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.281 -0.568 . . . . 0.0 112.384 -177.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -91.98 -39.36 11.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.909 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -110.37 117.35 33.39 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.6 t -73.38 115.99 15.06 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.414 -175.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.75 110.17 16.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.167 0.508 . . . . 0.0 110.291 -179.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.704 HD22 HG23 ' A' ' 29' ' ' VAL . 52.7 tp -114.7 142.81 46.0 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.66 178.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.681 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 29.6 ttmt -116.05 121.01 40.94 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 84.1 mtp -138.75 150.78 46.49 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.798 0.332 . . . . 0.0 110.444 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -90.86 158.92 16.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.307 0.575 . . . . 0.0 110.629 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.611 ' SD ' ' HB3' ' A' ' 31' ' ' CYS . 53.1 mtm -115.01 5.17 14.91 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.582 178.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -114.34 -40.28 3.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.627 175.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -118.87 150.51 39.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.171 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 74.41 54.3 6.22 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.94 -0.648 . . . . 0.0 113.133 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 64.89 21.03 12.27 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.062 0.458 . . . . 0.0 111.221 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.51 -32.31 71.37 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.679 -177.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 29.6 m -59.66 -33.75 52.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.755 0.312 . . . . 0.0 111.25 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -67.04 -44.64 79.66 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 178.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.4 -47.32 86.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.66 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -54.68 -47.96 72.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.625 -177.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -76.48 -30.86 57.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.691 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -71.39 -41.33 69.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.275 -173.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.545 ' HA ' ' NH1' ' A' ' 99' ' ' ARG . 50.1 m-85 -102.35 6.32 40.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.528 -174.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 61.21 58.26 14.35 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.606 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.596 HG21 ' SD ' ' A' ' 67' ' ' MET . 67.3 t -73.67 117.86 18.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.122 0.486 . . . . 0.0 110.893 -178.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -134.99 35.09 3.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.963 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -149.76 -177.1 5.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.012 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.867 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 63.8 m-85 -92.16 -56.17 0.25 Allowed Pre-proline 0 C--N 1.327 -0.411 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.662 176.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.867 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 8.8 Cg_endo -90.96 118.29 0.58 Allowed 'Trans proline' 0 N--CA 1.449 -1.1 0 C-N-CA 122.369 2.046 . . . . 0.0 111.252 170.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.539 ' HB ' ' HB2' ' A' ' 31' ' ' CYS . 6.5 m -116.14 121.14 41.26 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.887 0.375 . . . . 0.0 110.528 -178.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.63 HD11 ' HB3' ' A' ' 103' ' ' ALA . 5.9 mp -97.93 108.99 21.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.192 -175.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.556 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 3.9 mm? -95.79 130.62 42.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.157 0.503 . . . . 0.0 111.254 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -120.35 105.02 10.5 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.731 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.7 mp -118.08 140.08 42.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.49 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -82.83 172.02 13.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.575 -178.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.2 m -62.48 -18.91 62.9 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.941 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.4 m -89.07 2.5 53.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.227 -178.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 82.47 0.72 90.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.368 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -91.88 159.82 15.59 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.3 m -90.91 137.05 22.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.152 0.501 . . . . 0.0 110.758 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 42.9 t -96.42 -55.33 6.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.914 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -141.52 144.01 34.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.686 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.545 ' NH1' ' HA ' ' A' ' 79' ' ' TYR . 47.2 mtt180 -108.91 141.02 41.59 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 177.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.448 HD21 HD21 ' A' ' 87' ' ' LEU . 45.0 tp -152.46 111.23 3.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.159 0.504 . . . . 0.0 111.862 -175.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.507 HG13 HG21 ' A' ' 86' ' ' THR . 25.1 m -101.15 128.35 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.793 172.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.72 135.71 8.99 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.537 -176.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.63 ' HB3' HD11 ' A' ' 87' ' ' LEU . . . -118.67 143.23 46.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.901 0.381 . . . . 0.0 111.473 -174.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.463 ' HB3' ' HB2' ' A' ' 108' ' ' GLU . 70.3 mm-40 -105.1 -175.34 2.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.294 176.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.447 ' OD2' ' HD2' ' A' ' 107' ' ' PRO . 1.2 p-10 -75.9 173.36 11.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.8 175.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.536 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -51.56 -50.87 74.45 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -172.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.536 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 43.3 Cg_exo -58.2 -46.41 25.37 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.857 1.704 . . . . 0.0 112.473 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.463 ' HB2' ' HB3' ' A' ' 104' ' ' GLU . 31.0 mm-40 -71.91 -27.9 63.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.082 -179.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 45.0 tp -60.08 -57.56 12.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.036 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.7 mt -60.92 -31.77 71.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.578 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.449 ' O ' ' HG ' ' A' ' 115' ' ' LEU . 23.1 tptm -62.37 -52.05 65.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.414 177.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -69.54 -37.77 77.22 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -175.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 35.5 m -64.36 -39.75 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.223 0 CA-C-N 118.096 0.407 . . . . 0.0 111.173 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -67.61 -34.47 77.06 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.268 176.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 97.4 mt -73.48 -33.27 64.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.052 0.454 . . . . 0.0 110.768 178.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -69.24 -42.04 76.96 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.859 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 32.4 m -90.27 -19.36 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 122.721 -0.282 . . . . 0.0 111.015 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 56.16 82.83 0.1 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.365 -174.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.8 t -68.78 100.94 1.23 Allowed 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.811 -176.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -149.45 90.3 1.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.847 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.828 -0.984 . . . . 0.0 111.585 -179.34 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.939 0.4 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -115.81 -178.4 3.38 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 175.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.25 92.43 9.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.082 0.468 . . . . 0.0 110.508 177.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -92.6 -29.81 15.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.342 176.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -130.34 -137.91 4.25 Favored Glycine 0 N--CA 1.44 -1.053 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.493 177.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.0 mt -80.96 115.62 23.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.82 118.63 30.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.669 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.637 ' HE2' ' HE2' ' A' ' 47' ' ' PHE . 96.6 m-85 -91.34 141.34 28.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.549 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.582 ' HG2' ' O ' ' A' ' 62' ' ' ASN . 19.4 ptp180 -103.69 121.03 42.12 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.151 0.501 . . . . 0.0 109.666 177.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -87.56 101.82 13.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.177 0.513 . . . . 0.0 111.03 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.8 mt -125.33 165.24 18.72 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.385 174.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.405 ' HB2' ' HG2' ' A' ' 15' ' ' GLU . 3.0 m -67.31 154.61 40.91 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 173.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.437 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 89.8 t80 -53.86 -54.56 45.29 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-O 119.694 -0.193 . . . . 0.0 111.357 -178.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 19.5 Cg_endo -59.7 -38.17 82.76 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 121.96 1.773 . . . . 0.0 112.526 176.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' HG2' ' HB2' ' A' ' 12' ' ' SER . 55.3 mm-40 -60.14 -51.55 69.12 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.091 0.472 . . . . 0.0 111.066 178.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.61 -35.0 76.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.93 -177.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.5 tp -63.45 -41.38 98.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.455 0.645 . . . . 0.0 109.448 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -60.56 -45.59 93.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.406 176.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -58.71 -41.74 87.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.919 175.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.66 -32.93 73.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.053 0.454 . . . . 0.0 110.936 177.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -67.65 -50.07 59.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.1 t -73.88 -43.41 52.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.722 -174.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -78.5 -17.73 55.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.936 -178.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.2 t70 67.35 21.23 9.84 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.505 0.669 . . . . 0.0 111.306 173.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -109.57 165.21 11.84 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.055 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -74.9 143.11 43.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.677 -177.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.605 ' HB3' HG21 ' A' ' 90' ' ' ILE . 60.4 tp -90.58 113.97 26.11 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.776 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -90.94 106.0 18.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.326 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.633 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 39.5 t -93.3 110.43 23.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 120.929 0.395 . . . . 0.0 110.81 -176.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -91.06 107.87 19.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.09 176.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.9 m -116.59 113.51 22.82 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.105 176.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -129.93 155.42 46.09 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.075 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.06 157.66 16.59 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 176.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.8 p -57.48 -28.43 63.38 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -176.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 13.7 m-90 -67.97 102.63 1.32 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.958 0.408 . . . . 0.0 109.933 175.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.7 m -90.65 110.64 21.8 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -176.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.15 -94.83 0.72 Allowed Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.726 178.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.56 ' HG2' ' HG3' ' A' ' 85' ' ' PRO . 13.0 Cg_endo -57.82 -28.35 81.98 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 123.003 2.469 . . . . 0.0 112.499 177.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.6 t -64.68 -27.37 68.87 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.554 178.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -70.22 -42.15 72.67 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -60.16 -45.59 92.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.245 0.545 . . . . 0.0 109.682 176.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.561 HD13 ' HB1' ' A' ' 103' ' ' ALA . 45.7 tp -56.98 -51.98 67.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.928 178.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.684 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 21.1 m -66.57 -31.14 71.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.416 -177.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -66.32 -36.62 83.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.51 -176.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.592 HG13 HG23 ' A' ' 46' ' ' VAL . 13.1 p -105.31 -45.55 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -173.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.592 HG23 HG13 ' A' ' 45' ' ' VAL . 61.7 t -79.17 -43.16 24.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.072 -175.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.684 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 8.2 m-85 -80.28 38.73 0.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -171.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.479 ' HB2' ' HZ2' ' A' ' 48' ' ' LYS . 3.7 ttmp? -134.42 -10.63 2.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.079 0.466 . . . . 0.0 110.555 173.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.426 ' OD1' ' HG ' ' A' ' 51' ' ' LEU . 12.1 t70 -85.41 131.86 34.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.921 -175.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.1 t -70.92 -55.53 8.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.8 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.426 ' HG ' ' OD1' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -70.87 -39.32 72.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.806 -170.585 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 82.3 t -63.15 -45.45 98.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.856 0.36 . . . . 0.0 110.291 177.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.37 -45.93 88.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -59.68 -44.42 93.64 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.642 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -55.32 -50.44 69.6 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.048 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -68.19 -49.16 62.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.12 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.521 ' HA ' ' ND2' ' A' ' 62' ' ' ASN . 64.7 t30 -62.03 -30.07 70.71 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.838 0.351 . . . . 0.0 111.533 -175.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -80.98 -46.19 15.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.698 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -87.2 -21.98 25.55 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -173.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -128.13 134.55 49.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.511 HG23 HD13 ' A' ' 27' ' ' LEU . 3.8 m -83.57 110.28 18.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.305 0.574 . . . . 0.0 109.684 174.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.582 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 41.3 m-80 -80.59 103.45 10.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.174 -172.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.409 ' HG ' ' HG3' ' A' ' 65' ' ' MET . 58.1 tp -99.83 127.99 45.95 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.748 -178.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -93.32 117.51 30.17 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.419 176.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.409 ' HG3' ' HG ' ' A' ' 63' ' ' LEU . 86.7 mtp -127.75 112.99 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.084 0.469 . . . . 0.0 110.604 177.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.552 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 4.4 m-20 -68.37 136.06 52.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.432 179.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 50.6 mtt -74.22 -15.57 60.99 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.259 0.552 . . . . 0.0 111.116 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -114.49 36.39 3.8 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.095 0.95 . . . . 0.0 109.626 -174.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.592 ' HG2' ' H ' ' A' ' 70' ' ' GLY . 77.4 tttt -105.84 -179.74 4.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.027 -1.442 . . . . 0.0 110.126 -176.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.592 ' H ' ' HG2' ' A' ' 69' ' ' LYS . . . -58.69 -31.32 67.22 Favored Glycine 0 C--N 1.334 0.451 0 C-N-CA 121.684 -0.293 . . . . 0.0 112.906 179.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.529 ' O ' HD23 ' A' ' 75' ' ' LEU . 2.9 mp0 -107.43 7.43 28.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.023 0.44 . . . . 0.0 110.173 176.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.95 -46.1 68.89 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.962 -0.637 . . . . 0.0 113.342 -172.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.3 m -69.2 -22.64 26.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.503 0.192 . . . . 0.0 110.813 -175.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.64 -54.9 24.53 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 174.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.529 HD23 ' O ' ' A' ' 71' ' ' GLU . 2.5 mm? -58.39 -36.0 72.87 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.655 178.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.44 ' HG2' ' CG2' ' A' ' 81' ' ' VAL . 12.0 mtp180 -58.62 -44.37 89.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.644 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -76.5 -41.3 47.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.042 0.448 . . . . 0.0 110.459 178.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -57.8 -49.21 77.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.256 -176.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -104.01 2.94 32.84 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.846 -176.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 53.31 63.89 4.67 Favored Glycine 0 C--N 1.333 0.412 0 CA-C-N 115.528 -0.76 . . . . 0.0 113.03 176.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.462 HG13 HG21 ' A' ' 86' ' ' THR . 19.3 m -83.36 143.35 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-O 121.085 0.469 . . . . 0.0 110.895 -177.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -137.37 -22.03 1.15 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.312 176.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.1 176.82 6.82 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 174.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.575 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 36.1 m-85 -91.15 -49.19 0.34 Allowed Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.575 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 98.6 Cg_endo -90.05 110.04 0.41 Allowed 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 121.508 1.472 . . . . 0.0 112.212 174.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.462 HG21 HG13 ' A' ' 81' ' ' VAL . 37.8 m -131.71 118.28 19.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.923 0.392 . . . . 0.0 110.691 -179.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.529 HD13 HD21 ' A' ' 100' ' ' LEU . 82.6 mt -109.07 143.36 38.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.536 -175.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.633 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 3.0 mm? -128.63 141.81 51.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.882 0.373 . . . . 0.0 111.485 -177.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -115.99 114.87 25.2 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.241 174.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.605 HG21 ' HB3' ' A' ' 27' ' ' LEU . 15.3 tt -130.03 145.68 35.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.918 0.389 . . . . 0.0 111.41 -173.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -80.88 169.74 17.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.917 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -63.7 -27.07 68.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.171 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 p -81.89 -7.43 59.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.537 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.584 ' HA2' HD11 ' A' ' 90' ' ' ILE . . . 90.32 32.81 9.2 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.305 -0.95 . . . . 0.0 112.082 -177.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -104.28 130.67 52.09 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.471 -0.196 . . . . 0.0 110.471 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.2 t -86.71 114.53 26.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 27.3 m -88.86 -28.1 5.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.14 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -165.54 138.26 4.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.139 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.517 ' H ' ' HD2' ' A' ' 99' ' ' ARG . 0.8 OUTLIER -112.12 140.51 46.75 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 175.534 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.529 HD21 HD13 ' A' ' 87' ' ' LEU . 33.0 tp -124.73 126.79 46.23 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.012 0.434 . . . . 0.0 110.997 -176.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 49.1 t -124.03 109.91 24.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.784 177.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.12 158.26 19.77 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.475 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.561 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -145.41 115.06 7.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.077 0.465 . . . . 0.0 111.534 -174.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -100.94 -174.9 2.73 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.064 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.24 162.93 3.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 177.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.574 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -47.63 -54.24 24.44 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -172.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.574 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 25.4 Cg_exo -62.67 -38.58 49.29 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.689 1.593 . . . . 0.0 111.953 -179.165 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -69.11 -44.51 72.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.571 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 37.6 tp -60.14 -50.56 73.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.978 178.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.463 ' HA ' HG23 ' A' ' 113' ' ' VAL . 54.0 tp -60.23 -37.33 80.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.07 179.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.454 ' O ' HD22 ' A' ' 115' ' ' LEU . 26.1 tptp -60.66 -45.52 93.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.006 0.432 . . . . 0.0 109.995 178.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -61.0 -53.91 51.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.528 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.463 HG23 ' HA ' ' A' ' 110' ' ' LEU . 17.9 m -67.88 -34.63 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.212 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.916 -175.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.532 ' O ' ' HB2' ' A' ' 118' ' ' GLU . 23.5 ttmm -63.43 -39.8 95.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.783 0.325 . . . . 0.0 110.891 -179.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.454 HD22 ' O ' ' A' ' 111' ' ' LYS . 4.5 mm? -75.71 -12.6 60.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.978 0.418 . . . . 0.0 110.983 178.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -91.58 -44.53 4.25 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.383 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 62.4 t -84.15 -43.64 17.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -176.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.532 ' HB2' ' O ' ' A' ' 114' ' ' LYS . 0.5 OUTLIER -74.29 87.55 1.99 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 111.574 -177.018 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.3 t 65.69 98.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.993 173.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -82.74 -32.2 28.0 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 172.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.08 -1.4 . . . . 0.0 110.983 178.694 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.867 0.365 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.2 mp0 -127.68 172.69 10.55 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.32 65.21 7.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.276 0.56 . . . . 0.0 109.682 174.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -108.93 -51.62 2.86 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.77 -178.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.74 -145.57 48.94 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.529 -0.76 . . . . 0.0 113.545 176.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.45 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 64.9 mt -81.21 121.1 34.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.014 0.435 . . . . 0.0 110.214 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.83 103.19 15.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.597 -177.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.73 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 64.2 m-85 -83.72 119.42 24.77 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.039 178.265 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -83.53 119.11 24.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.761 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -80.98 97.0 7.28 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.14 -178.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.461 HD21 ' HG2' ' A' ' 15' ' ' GLU . 94.5 mt -122.38 167.32 13.43 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.063 -178.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.451 ' OG ' ' HB2' ' A' ' 15' ' ' GLU . 49.7 p -82.39 176.69 9.23 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 176.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -57.84 -56.97 29.07 Favored Pre-proline 0 CA--C 1.54 0.564 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.49 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -64.33 -36.69 43.98 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 121.794 1.663 . . . . 0.0 112.279 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.461 ' HG2' HD21 ' A' ' 11' ' ' LEU . 6.4 tp10 -58.9 -49.58 77.24 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.786 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.88 99.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.435 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 17' ' ' LEU . 1.3 tm? -61.22 -49.77 75.78 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -60.9 -40.87 94.72 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.899 177.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.458 ' HA ' HG21 ' A' ' 22' ' ' VAL . 10.3 tpp180 -60.98 -43.66 98.5 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.045 -178.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.501 ' HA ' HG22 ' A' ' 61' ' ' VAL . . . -62.67 -35.63 80.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.918 0.389 . . . . 0.0 110.793 178.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -76.14 -43.33 43.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.471 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.458 HG21 ' HA ' ' A' ' 19' ' ' ARG . 35.9 m -69.46 -29.8 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -175.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -94.51 -16.7 23.09 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.165 174.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.9 t70 56.19 71.66 0.55 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.294 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HB2' HG21 ' A' ' 61' ' ' VAL . 96.8 mttt -143.05 174.55 10.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.603 -177.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.441 HD12 ' HE1' ' A' ' 60' ' ' PHE . 91.2 mt -81.27 135.24 35.71 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 176.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.5 tp -90.65 113.04 25.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.781 -176.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -99.47 108.42 20.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.347 176.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.607 HG11 ' HG ' ' A' ' 31' ' ' CYS . 31.3 t -99.7 113.39 34.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.519 -177.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -87.14 109.67 19.61 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 175.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.607 ' HG ' HG11 ' A' ' 29' ' ' VAL . 62.4 m -110.39 111.87 23.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.849 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.447 ' O ' ' HB2' ' A' ' 67' ' ' MET . 45.4 p90 -123.14 154.11 39.09 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.844 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.707 ' HB ' ' HD1' ' A' ' 35' ' ' TRP . 12.6 p -99.63 160.39 14.33 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.149 0.5 . . . . 0.0 110.917 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.06 11.54 6.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.189 -177.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.707 ' HD1' ' HB ' ' A' ' 33' ' ' THR . 35.2 m95 -76.11 -74.84 0.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.062 -175.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.8 m -119.31 -164.04 1.02 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -177.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.09 61.92 0.63 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.411 -0.9 . . . . 0.0 113.233 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -66.62 -26.49 46.28 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.208 1.938 . . . . 0.0 110.888 175.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.2 m -68.71 -26.79 65.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.513 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -67.88 -44.86 76.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.786 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -63.62 -36.99 85.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.208 176.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.0 tp -60.37 -41.55 93.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.296 175.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.644 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 25.8 m -65.89 -30.39 70.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.334 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -59.3 -45.22 91.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.042 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.7 t -97.67 -51.29 10.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.009 -174.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.9 t -76.92 -46.61 29.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -171.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.644 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 5.0 m-85 -74.7 10.87 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -172.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -104.18 -17.7 14.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.9 0.381 . . . . 0.0 110.485 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.573 ' HB3' ' CG2' ' A' ' 52' ' ' VAL . 9.2 t70 -72.25 127.67 33.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.062 -178.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.2 m -69.63 -32.1 70.59 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.509 -177.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.6 tp -72.05 -50.19 30.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.051 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.573 ' CG2' ' HB3' ' A' ' 49' ' ' ASP . 19.6 m -57.21 -39.2 65.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.98 0.419 . . . . 0.0 111.71 -175.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.64 -52.89 63.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.316 178.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.63 -34.18 76.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.437 0.636 . . . . 0.0 109.96 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.434 ' O ' ' HB2' ' A' ' 59' ' ' HIS . 42.5 t80 -54.19 -58.72 6.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.623 -1.171 . . . . 0.0 110.56 177.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -76.98 -50.01 14.15 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -176.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -60.64 -33.65 73.1 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -171.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -89.55 -42.73 11.26 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.434 ' HB2' ' O ' ' A' ' 55' ' ' TYR . 58.5 m-70 -82.34 -30.56 30.31 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -173.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.441 ' HE1' HD12 ' A' ' 26' ' ' LEU . 67.6 m-85 -122.44 166.03 15.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.933 0.397 . . . . 0.0 111.35 -173.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.501 HG22 ' HA ' ' A' ' 20' ' ' ALA . 62.1 t -95.19 110.22 23.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 173.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -92.98 111.14 22.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.907 0.384 . . . . 0.0 110.54 -176.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.428 HD22 HG12 ' A' ' 29' ' ' VAL . 50.9 tp -109.89 136.94 48.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.24 -176.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.73 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 56.7 tttm -114.7 122.11 45.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.982 175.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 85.3 mtp -136.27 158.48 44.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.475 0.178 . . . . 0.0 110.584 178.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.95 156.13 17.06 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.25 0.548 . . . . 0.0 110.762 177.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.476 ' SD ' ' HB3' ' A' ' 31' ' ' CYS . 4.8 tpt -95.23 -21.39 18.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.123 -0.944 . . . . 0.0 112.766 -166.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -113.98 93.8 4.53 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.825 0.821 . . . . 0.0 109.852 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.403 ' HG2' ' H ' ' A' ' 71' ' ' GLU . 21.8 ttmm -163.3 160.99 24.44 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 113.874 -1.512 . . . . 0.0 107.478 -177.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -53.49 -39.9 60.94 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.114 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.403 ' H ' ' HG2' ' A' ' 69' ' ' LYS . 2.4 mp0 -80.4 -37.39 32.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.667 0.27 . . . . 0.0 110.819 177.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.88 -43.74 98.79 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.819 -178.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.0 p -67.24 -28.63 43.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.871 0.367 . . . . 0.0 110.562 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -69.3 -46.02 68.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.184 0.516 . . . . 0.0 109.907 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 82.8 mt -67.25 -34.72 78.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.592 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -60.44 -39.15 86.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.213 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -76.33 -36.2 58.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.445 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -63.12 -38.53 91.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.7 -174.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -109.63 -9.16 14.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.287 -176.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.2 26.81 73.72 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.409 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.584 ' HB ' HG21 ' A' ' 86' ' ' THR . 15.7 m -86.67 102.57 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 CA-C-O 121.573 0.702 . . . . 0.0 111.009 -177.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -123.88 77.0 1.49 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.605 0.717 . . . . 0.0 110.553 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.82 -163.36 1.61 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.218 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.887 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 25.4 m-85 -107.92 -58.31 0.05 OUTLIER Pre-proline 0 C--N 1.322 -0.609 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.166 176.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.887 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 15.3 Cg_endo -94.8 105.34 0.12 Allowed 'Trans proline' 0 N--CA 1.445 -1.372 0 C-N-CA 122.245 1.963 . . . . 0.0 110.784 169.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.584 HG21 ' HB ' ' A' ' 81' ' ' VAL . 23.8 m -117.73 122.79 44.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.003 0.43 . . . . 0.0 111.685 -174.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.1 mp -104.04 111.4 23.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.556 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.52 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 40.0 tp -109.84 123.33 49.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.8 -176.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -104.27 114.32 28.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.188 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.476 HG22 ' O ' ' A' ' 91' ' ' ASN . 56.0 mt -123.4 145.86 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.454 -176.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.542 ' HB2' ' HB2' ' A' ' 95' ' ' GLU . 84.6 m-20 -74.74 167.78 21.14 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 173.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.9 p -68.48 -36.54 79.1 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.698 -172.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 t -80.53 -8.52 59.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.075 0.464 . . . . 0.0 110.699 -178.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 101.17 70.14 0.88 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.525 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.542 ' HB2' ' HB2' ' A' ' 91' ' ' ASN . 49.0 mt-10 -138.2 144.26 40.59 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.515 -0.179 . . . . 0.0 110.515 178.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.9 t -77.99 113.92 17.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.671 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.5 HG12 HG13 ' A' ' 117' ' ' VAL . 31.0 t -92.08 -61.5 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.406 178.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -146.09 138.11 25.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.234 -175.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -110.94 113.62 26.32 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.564 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 48.9 tp -120.33 127.57 52.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.069 0.461 . . . . 0.0 111.227 -174.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.1 t -109.04 116.21 51.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.267 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.95 157.47 29.28 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.149 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -125.91 141.55 51.93 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -123.48 -179.46 4.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.754 -174.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.97 155.82 15.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.606 ' HB2' ' HD3' ' A' ' 107' ' ' PRO . . . -49.04 -56.58 14.83 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -172.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.606 ' HD3' ' HB2' ' A' ' 106' ' ' ALA . 27.3 Cg_exo -62.23 -35.93 71.53 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.674 1.582 . . . . 0.0 112.191 -178.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -74.08 -40.75 62.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.436 -178.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.437 ' O ' HG23 ' A' ' 113' ' ' VAL . 27.3 tp -65.51 -48.83 71.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.325 178.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 106' ' ' ALA . 96.5 mt -52.86 -40.37 63.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.667 177.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -66.21 -42.01 89.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.5 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -65.58 -38.11 88.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.218 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 109' ' ' LEU . 89.6 t -63.67 -52.4 57.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.628 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -63.4 -40.14 96.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 111.174 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 61.4 tp -66.9 -40.95 87.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.383 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -81.31 -44.64 7.9 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.497 -0.858 . . . . 0.0 113.316 -175.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.5 HG13 HG12 ' A' ' 97' ' ' VAL . 59.0 t -81.43 -48.36 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -173.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -81.92 87.09 6.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.261 0.553 . . . . 0.0 111.448 -175.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 13.8 p -117.31 167.91 10.81 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.362 174.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.12 142.24 44.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.951 0.405 . . . . 0.0 110.705 178.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.567 -1.129 . . . . 0.0 111.178 -179.065 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.01 0 CA-C-O 120.887 0.375 . . . . 0.0 110.719 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -92.77 119.62 32.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.978 0.418 . . . . 0.0 110.998 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.28 79.06 8.64 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 173.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -93.14 -174.97 3.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.31 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.75 -175.22 17.83 Favored Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -175.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.61 HG23 ' HB3' ' A' ' 47' ' ' PHE . 2.3 tp -96.78 142.29 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.635 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.91 88.72 3.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.286 0.565 . . . . 0.0 111.097 -176.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 62' ' ' ASN . 96.4 m-85 -65.39 145.42 56.18 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.916 174.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.452 ' O ' HD13 ' A' ' 63' ' ' LEU . 33.5 mmt180 -83.77 115.12 22.06 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 175.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' C ' HD11 ' A' ' 11' ' ' LEU . 24.1 mt-10 -94.18 91.53 6.82 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.555 0.693 . . . . 0.0 109.298 178.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.415 HD11 ' C ' ' A' ' 10' ' ' GLU . 6.1 mp -140.04 168.48 19.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.059 -174.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.4 m -62.02 151.75 34.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.226 175.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.495 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 82.1 t80 -54.95 -52.74 68.33 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -176.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 11.5 Cg_endo -55.13 -37.88 93.85 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.252 1.968 . . . . 0.0 112.707 178.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.601 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 55.5 mm-40 -66.73 -47.38 72.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.341 179.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.99 -45.36 90.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.919 0.39 . . . . 0.0 111.057 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.8 tp -63.41 -44.59 94.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.013 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -55.28 -47.4 75.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.529 177.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.601 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 11.9 mmt180 -63.24 -39.95 96.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.028 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.71 -46.6 78.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.808 0.337 . . . . 0.0 110.482 176.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -54.57 -45.4 73.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.438 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.0 t -85.91 -54.49 8.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -173.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -93.53 -29.35 15.56 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -167.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.442 ' HB3' HG22 ' A' ' 61' ' ' VAL . 6.8 t70 -125.74 -143.99 0.31 Allowed 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.0 -0.68 . . . . 0.0 111.437 -173.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HE3' ' HB3' ' A' ' 25' ' ' LYS . 5.8 ptpp? -129.24 -40.0 1.49 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -170.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.7 mt -142.33 166.16 25.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.794 0.331 . . . . 0.0 110.6 -176.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.546 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 55.6 tp -116.83 112.71 21.48 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.271 179.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -92.8 106.58 18.53 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.414 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.76 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 39.0 t -97.96 110.55 25.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.069 0.461 . . . . 0.0 111.134 -175.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -86.65 111.67 20.88 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.597 174.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.622 ' HG ' HG12 ' A' ' 29' ' ' VAL . 73.2 m -111.52 113.23 25.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.135 0.493 . . . . 0.0 109.992 178.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -124.25 156.51 36.74 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.438 0.637 . . . . 0.0 110.921 -175.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.437 ' C ' ' H ' ' A' ' 35' ' ' TRP . 22.4 m -101.95 159.47 15.33 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.549 171.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.7 t -65.65 2.82 0.87 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.181 0.515 . . . . 0.0 111.557 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.437 ' H ' ' C ' ' A' ' 33' ' ' THR . 58.7 t-105 -59.5 125.51 23.92 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.235 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.6 p -83.2 27.72 0.56 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.268 -0.423 . . . . 0.0 112.005 -174.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.01 -113.06 3.66 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.644 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.49 ' HB2' ' HG3' ' A' ' 85' ' ' PRO . 72.7 Cg_exo -50.45 -38.61 53.9 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.673 2.915 . . . . 0.0 113.809 -177.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 70.1 m -59.7 -33.87 72.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.776 0.322 . . . . 0.0 111.475 -178.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -79.99 -43.71 21.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.899 0.381 . . . . 0.0 110.678 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -62.7 -37.41 86.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.639 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.479 HD11 ' HB1' ' A' ' 103' ' ' ALA . 60.4 tp -57.01 -44.08 82.45 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.965 178.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.0 m -70.98 -30.78 67.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -82.08 -28.41 32.36 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -175.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.1 t -95.0 -54.24 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.541 -0.463 . . . . 0.0 111.566 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.65 HG11 HD22 ' A' ' 109' ' ' LEU . 47.9 t -83.82 -58.69 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.881 -173.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.61 ' HB3' HG23 ' A' ' 6' ' ' ILE . 25.0 m-85 -78.57 -11.27 59.95 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -169.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -77.65 -23.82 49.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.078 0.466 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -73.25 128.61 35.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.039 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.1 m -57.62 -42.61 83.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.842 -176.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.1 mp -71.54 -42.33 68.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.732 0.301 . . . . 0.0 110.922 -177.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.5 t -69.76 -45.35 77.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.388 -178.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.79 -46.02 88.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.969 0.414 . . . . 0.0 110.578 177.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.37 -40.49 96.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.401 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -59.61 -48.74 80.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.662 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -66.24 -42.9 87.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.221 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.584 ' HB2' HD13 ' A' ' 6' ' ' ILE . 25.8 t-20 -61.48 -39.76 92.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.81 -177.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.803 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 1.3 mmp_? -89.04 -23.76 22.49 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -176.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -87.88 -23.2 24.02 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.166 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -150.9 167.22 28.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.442 HG22 ' HB3' ' A' ' 24' ' ' ASP . 78.3 t -85.66 120.55 35.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 171.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.522 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.8 OUTLIER -84.84 119.77 25.7 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.83 -176.034 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 9' ' ' ARG . 46.1 tp -114.68 138.08 51.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.143 179.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.452 ' HB2' ' CB ' ' A' ' 8' ' ' PHE . 37.0 ttmt -105.75 127.98 53.42 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 177.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.468 ' HG2' HD23 ' A' ' 75' ' ' LEU . 55.3 tpp -137.95 136.82 37.36 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.836 -178.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.426 ' O ' ' HA3' ' A' ' 72' ' ' GLY . 18.6 t70 -87.12 156.26 19.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 176.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 13.1 mmt -78.34 -15.54 58.62 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.746 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -119.14 -55.95 2.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.539 -177.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.404 ' HD2' ' HA ' ' A' ' 69' ' ' LYS . 44.1 tptt -88.82 162.58 16.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.709 -175.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . 73.42 29.0 64.66 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.342 178.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 0.8 OUTLIER 68.62 20.09 8.4 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.837 0.351 . . . . 0.0 110.618 -177.756 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.426 ' HA3' ' O ' ' A' ' 66' ' ' ASP . . . -55.24 -32.41 57.23 Favored Glycine 0 C--N 1.333 0.404 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.879 178.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.4 p -59.32 -29.83 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-O 120.658 0.266 . . . . 0.0 111.293 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.42 -42.72 78.52 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.468 HD23 ' HG2' ' A' ' 65' ' ' MET . 6.7 mp -72.11 -40.34 68.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.244 178.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -56.03 -45.62 79.09 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.508 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -71.04 -34.48 71.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.333 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -67.33 -41.82 84.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.883 -172.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.401 ' CE2' HD11 ' A' ' 88' ' ' LEU . 52.5 m-85 -105.12 8.39 34.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.302 -173.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 59.8 35.2 85.72 Favored Glycine 0 C--N 1.332 0.316 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.93 175.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.433 HG21 ' OG1' ' A' ' 86' ' ' THR . 7.4 p -94.96 129.86 44.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.139 0.495 . . . . 0.0 111.002 -176.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -113.22 -3.23 13.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.877 176.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.21 173.05 12.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.373 -175.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.715 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 81.7 m-85 -92.33 -50.21 0.29 Allowed Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.828 -177.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.715 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 88.9 Cg_endo -94.81 133.15 0.63 Allowed 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 122.132 1.888 . . . . 0.0 111.923 173.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.433 ' OG1' HG21 ' A' ' 81' ' ' VAL . 40.1 m -150.94 129.4 12.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.091 0.472 . . . . 0.0 111.622 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.452 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 7.2 mp -104.72 116.14 31.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.018 178.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.76 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 92.0 mt -106.19 133.95 50.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.705 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.411 ' CZ ' HG23 ' A' ' 113' ' ' VAL . 41.5 m-85 -113.31 106.33 14.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.207 -179.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.546 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 36.9 mm -107.49 136.81 41.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.194 -176.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 35.1 p30 -90.66 176.68 6.58 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 174.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.0 m -62.91 -18.37 62.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.821 0.343 . . . . 0.0 111.491 -177.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.9 t -77.89 -15.63 58.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.046 0.451 . . . . 0.0 110.473 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 89.88 20.2 44.29 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.693 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -120.29 163.68 17.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.661 0.267 . . . . 0.0 110.407 -177.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.2 m -93.53 142.16 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.092 0.472 . . . . 0.0 111.799 -176.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 31.3 m -105.68 -24.25 4.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.329 173.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -161.68 147.62 13.78 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.693 -177.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -123.56 126.08 46.02 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 176.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.452 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 50.4 tp -114.55 109.17 17.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.022 0.439 . . . . 0.0 110.78 -179.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 61.2 t -95.94 113.66 30.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.307 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.22 -155.87 16.01 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.479 ' HB1' HD11 ' A' ' 42' ' ' LEU . . . -150.61 149.18 29.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.066 0.46 . . . . 0.0 111.497 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -115.18 179.35 3.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.113 175.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -80.21 174.94 11.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 174.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.569 ' HB2' ' HD3' ' A' ' 107' ' ' PRO . . . -53.79 -54.98 40.43 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -172.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.569 ' HD3' ' HB2' ' A' ' 106' ' ' ALA . 24.2 Cg_exo -63.22 -44.32 15.55 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 121.781 1.654 . . . . 0.0 112.826 -177.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -74.62 -27.29 60.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.989 -176.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.65 HD22 HG11 ' A' ' 46' ' ' VAL . 17.8 tp -64.83 -47.01 79.54 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 178.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.442 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 10.5 mp -56.61 -38.0 71.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.435 175.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -63.04 -45.9 90.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.375 178.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -58.47 -46.44 86.61 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.951 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 109' ' ' LEU . 43.5 t -67.57 -43.81 86.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.823 -179.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 110' ' ' LEU . 39.1 tttm -64.19 -46.12 85.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.096 -175.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 87.5 mt -76.51 -18.87 58.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.909 0.385 . . . . 0.0 110.704 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -75.91 -31.05 56.66 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.253 178.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 33.5 m -99.19 0.21 10.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.024 0.44 . . . . 0.0 110.9 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -103.94 143.61 32.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.122 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.9 m -86.43 80.74 8.57 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.491 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -63.89 134.9 56.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.792 178.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.811 0 CA-C-O 118.749 -1.028 . . . . 0.0 111.376 -179.008 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -96.91 82.25 3.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.111 0.481 . . . . 0.0 110.258 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.24 5.48 14.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.238 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -63.63 124.09 20.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.855 177.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.669 ' HA2' ' O ' ' A' ' 47' ' ' PHE . . . 131.88 150.49 6.61 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -174.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.971 HG13 ' HA ' ' A' ' 47' ' ' PHE . 52.3 mt -68.49 125.81 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 117.22 0.51 . . . . 0.0 110.361 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.49 83.4 6.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.886 0.374 . . . . 0.0 111.093 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.617 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 17.2 m-85 -71.36 121.34 18.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.911 174.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.486 ' O ' HD11 ' A' ' 63' ' ' LEU . 28.7 mtt180 -94.48 124.15 38.34 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.837 -174.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -100.63 95.3 6.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.516 0.674 . . . . 0.0 111.285 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -110.69 169.03 9.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.63 177.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.7 m -67.36 146.89 53.62 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 175.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.476 ' HB2' ' HE1' ' A' ' 65' ' ' MET . 81.1 t80 -57.05 -55.03 48.29 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -174.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 17.7 Cg_endo -57.85 -40.38 79.04 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.891 1.727 . . . . 0.0 112.034 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -63.21 -49.6 73.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.41 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.14 -37.65 88.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.892 -177.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.9 tp -65.16 -42.91 93.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.487 0.661 . . . . 0.0 109.962 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -57.87 -50.33 73.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.002 175.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -58.95 -46.08 88.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.503 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.65 -39.51 68.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 111.386 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.45 ' HA ' ' OG ' ' A' ' 92' ' ' SER . 37.3 tt0 -70.08 -45.47 66.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.914 -178.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.2 m -75.66 -28.07 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.942 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -77.83 -18.73 55.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.9 t70 59.26 50.79 7.46 Favored 'General case' 0 N--CA 1.46 0.056 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.644 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HB3' ' HA ' ' A' ' 60' ' ' PHE . 43.7 mmtm -137.13 153.6 50.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.801 -178.303 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.727 ' HB2' ' HB3' ' A' ' 60' ' ' PHE . 88.8 mt -64.01 141.71 58.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.134 175.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.572 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 61.0 tp -92.33 101.2 13.68 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.406 ' CZ ' HD21 ' A' ' 87' ' ' LEU . 88.4 t80 -92.51 107.29 19.1 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.007 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.602 HG23 HD23 ' A' ' 63' ' ' LEU . 38.4 t -102.68 124.21 56.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.021 -176.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -99.92 117.84 35.08 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.264 175.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 75.9 m -122.52 111.76 17.21 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 173.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -112.53 154.36 26.06 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.106 0.479 . . . . 0.0 111.368 -174.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.46 ' C ' ' H ' ' A' ' 35' ' ' TRP . 35.7 m -100.27 149.05 23.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.107 175.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.8 p -70.93 16.42 0.09 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.46 ' H ' ' C ' ' A' ' 33' ' ' THR . 8.0 t90 -67.21 -23.32 65.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.278 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.9 m 59.78 29.71 19.27 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.327 175.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.47 -108.24 1.54 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.213 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.94 -31.38 81.51 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.758 2.305 . . . . 0.0 112.494 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 76.5 m -55.72 -48.02 75.89 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.811 0.339 . . . . 0.0 111.536 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -75.36 -37.0 60.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.819 0.342 . . . . 0.0 110.821 -174.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -71.07 -33.23 70.04 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.579 178.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.775 HD11 HD21 ' A' ' 109' ' ' LEU . 43.8 tp -63.0 -45.34 92.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.071 0.462 . . . . 0.0 109.807 174.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.715 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 33.8 m -61.04 -30.7 70.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.9 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -78.73 -22.19 46.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.371 -177.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.528 HG13 ' HB2' ' A' ' 106' ' ' ALA . 65.7 t -108.29 -53.92 6.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -174.04 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.505 HG12 ' O ' ' A' ' 42' ' ' LEU . 8.7 p -79.76 -31.13 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.489 -171.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.971 ' HA ' HG13 ' A' ' 6' ' ' ILE . 10.0 m-85 -68.75 -29.01 67.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.267 0.556 . . . . 0.0 110.21 178.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -70.18 -25.78 63.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.792 -174.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -89.62 107.92 19.37 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.471 -177.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.0 m -69.43 -31.0 69.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.321 -177.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.73 -44.7 85.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 0.0 110.33 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.4 t -68.65 -38.49 79.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.561 177.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.427 ' CB ' HG12 ' A' ' 6' ' ' ILE . . . -57.56 -50.73 72.14 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 177.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -34.73 78.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.239 179.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -59.75 -48.4 81.81 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.346 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -61.14 -55.44 32.34 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.648 177.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -61.07 -30.57 70.42 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -174.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -68.54 -46.76 68.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.747 0.308 . . . . 0.0 110.951 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -81.98 -31.46 31.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.009 -173.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.727 ' HB3' ' HB2' ' A' ' 26' ' ' LEU . 9.0 p90 -155.4 157.96 37.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.212 0.53 . . . . 0.0 111.787 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.8 m -80.72 133.69 28.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.858 -177.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.431 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -92.75 106.86 18.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.615 -178.866 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.602 HD23 HG23 ' A' ' 29' ' ' VAL . 45.1 tp -110.19 128.53 55.53 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.113 -178.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.617 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 26.4 ttpp -113.02 126.92 56.01 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.229 177.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.476 ' HE1' ' HB2' ' A' ' 13' ' ' PHE . 79.1 mtp -136.77 113.75 10.51 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -66.94 155.67 37.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.309 -174.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 61.3 mtt -78.77 -10.15 59.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.293 175.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -113.21 21.6 15.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.769 0.795 . . . . 0.0 109.49 175.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -93.05 158.94 15.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.699 174.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.31 -56.44 23.38 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.308 -0.473 . . . . 0.0 113.195 -176.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -75.97 -12.42 60.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.032 0.444 . . . . 0.0 110.737 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.16 -31.14 75.77 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.618 -178.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 35.6 m -55.54 -38.53 49.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -177.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -73.31 -45.13 57.2 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.322 -178.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 46.4 mt -62.73 -41.5 99.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.172 0.511 . . . . 0.0 110.499 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.621 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 51.9 ttp180 -57.09 -47.15 81.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.249 179.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.453 ' HE2' ' HB3' ' A' ' 77' ' ' LYS . 31.3 ttpt -74.23 -35.15 63.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.78 -178.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -80.79 -48.24 12.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.345 -170.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -92.2 -9.45 42.26 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -171.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.3 84.26 1.79 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.296 -0.954 . . . . 0.0 113.318 174.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.621 ' HB ' ' HG3' ' A' ' 76' ' ' ARG . 7.5 p -64.85 141.08 18.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.203 0.525 . . . . 0.0 110.655 174.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -137.22 -91.7 0.24 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.853 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.438 ' HA ' HG23 ' A' ' 33' ' ' THR . . . -174.73 22.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.701 0.762 . . . . 0.0 109.873 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.611 ' HB3' ' HD2' ' A' ' 85' ' ' PRO . 9.8 m-85 -128.94 -179.45 1.0 Allowed Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.125 -170.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.611 ' HD2' ' HB3' ' A' ' 84' ' ' TYR . 58.4 Cg_endo -79.33 116.06 3.55 Favored 'Trans proline' 0 N--CA 1.449 -1.136 0 C-N-CA 121.612 1.541 . . . . 0.0 110.835 165.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.4 m -95.33 105.55 17.51 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.87 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.621 HD12 HD22 ' A' ' 100' ' ' LEU . 43.6 mt -94.12 115.65 27.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.434 0.635 . . . . 0.0 109.91 -177.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.545 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 60.7 mt -111.58 123.71 50.78 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.386 -172.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -102.14 110.97 23.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.745 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.572 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 65.3 mt -113.98 138.71 42.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.782 -179.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -76.39 167.65 21.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.017 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.45 ' OG ' ' HA ' ' A' ' 21' ' ' GLU . 48.0 t -65.47 -26.75 68.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.72 175.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.2 m -77.96 1.79 19.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.322 179.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.96 26.55 62.07 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.423 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -113.14 144.62 42.35 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 -178.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.6 m -78.04 128.71 38.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.86 0.362 . . . . 0.0 110.232 176.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.4 p -106.75 -43.15 6.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -142.14 131.53 23.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.11 0.481 . . . . 0.0 110.465 177.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -108.21 119.93 40.89 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.464 175.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.621 HD22 HD12 ' A' ' 87' ' ' LEU . 50.3 tp -116.04 106.5 13.83 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.172 0.51 . . . . 0.0 110.642 -179.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.9 m -103.38 101.68 12.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.327 0.584 . . . . 0.0 109.976 174.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.89 164.41 10.11 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.121 -177.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.469 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -160.27 118.97 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.884 0.373 . . . . 0.0 110.91 -178.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -100.33 -175.16 2.85 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.45 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -54.8 151.98 7.78 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.579 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -44.42 -54.72 11.5 Favored Pre-proline 0 N--CA 1.476 0.827 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -169.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.579 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 40.1 Cg_exo -58.97 -36.54 96.64 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.978 1.786 . . . . 0.0 112.711 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -74.12 -38.52 63.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.801 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.775 HD21 HD11 ' A' ' 42' ' ' LEU . 50.7 tp -62.46 -53.86 48.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.032 0.444 . . . . 0.0 110.29 176.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 62.2 tp -54.62 -36.29 64.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.828 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -67.15 -41.55 85.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.495 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.6 -34.25 77.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.788 177.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.421 HG21 ' O ' ' A' ' 109' ' ' LEU . 98.9 t -59.89 -42.47 89.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.24 175.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -61.55 -41.42 97.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.03 -17.14 63.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.051 177.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -91.31 -43.36 4.65 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.652 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.444 ' O ' ' HB2' ' A' ' 118' ' ' GLU . 64.8 t -67.74 -33.83 64.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-O 120.295 0.093 . . . . 0.0 111.16 -178.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 117' ' ' VAL . 28.4 mm-40 70.17 108.99 0.06 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.394 0.616 . . . . 0.0 111.18 -179.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.0 m -152.49 134.47 14.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.17 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.38 108.66 17.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.319 0.581 . . . . 0.0 110.6 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.881 0 CA-C-O 118.94 -0.922 . . . . 0.0 111.346 -179.331 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.747 0.308 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -116.63 -60.59 1.83 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 69.46 90.65 0.09 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.115 174.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -91.06 -22.24 20.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.178 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 101.14 -163.56 18.16 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.711 175.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.545 HG12 ' HA ' ' A' ' 53' ' ' ALA . 40.6 mt -75.07 141.74 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.12 106.82 14.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.796 0.332 . . . . 0.0 110.776 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.726 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 83.8 m-85 -91.95 133.21 35.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.24 177.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 62' ' ' ASN . 13.8 ptp180 -101.32 137.55 39.51 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.925 0.393 . . . . 0.0 110.217 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -94.12 94.47 8.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.821 -174.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.455 ' O ' HD13 ' A' ' 63' ' ' LEU . 95.0 mt -127.93 161.74 28.39 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.282 -178.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.9 m -70.29 160.72 31.7 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 175.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.416 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 74.1 t80 -58.63 -56.13 38.86 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.596 -177.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 18.9 Cg_endo -59.94 -34.26 95.26 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 121.974 1.783 . . . . 0.0 111.943 178.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -63.05 -48.73 77.43 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.385 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.33 -42.37 88.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.484 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.3 tp -57.6 -52.62 64.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.613 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -56.3 -48.26 77.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.784 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -59.49 -40.82 88.27 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.761 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 25' ' ' LYS . . . -69.43 -30.74 68.73 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.877 -178.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.89 -47.27 78.42 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.05 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.5 m -73.53 -26.19 21.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.576 -177.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -84.3 -15.14 47.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.574 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.5 t70 55.94 70.04 0.68 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.679 0.752 . . . . 0.0 110.139 -173.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.521 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 36.5 ttmt -155.77 153.39 29.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.701 -175.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.2 mp -88.02 159.0 18.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.914 0.387 . . . . 0.0 111.195 -176.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.571 ' HB2' ' HB ' ' A' ' 90' ' ' ILE . 3.3 mm? -94.19 122.77 37.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.173 -178.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -109.52 102.11 11.0 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 172.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.443 ' HB ' ' HB3' ' A' ' 88' ' ' LEU . 39.7 t -100.94 120.52 50.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.631 -176.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -105.18 128.56 53.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.996 0.427 . . . . 0.0 110.227 175.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.539 ' HB2' ' HB ' ' A' ' 86' ' ' THR . 71.1 m -124.03 111.53 16.1 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.254 175.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -107.74 157.93 17.71 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 m -99.79 163.54 12.42 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.267 -178.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.8 p -73.48 -22.32 60.19 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -174.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -65.96 160.71 22.94 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.312 178.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.9 p -91.3 173.43 7.92 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.025 -177.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.06 -109.52 1.82 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.363 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.87 -29.1 61.83 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.387 2.725 . . . . 0.0 113.266 -178.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.4 m -61.16 -58.23 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.055 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -63.86 -31.15 72.23 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.992 0.425 . . . . 0.0 110.791 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -56.79 -42.32 79.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.58 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.426 ' O ' HG23 ' A' ' 46' ' ' VAL . 94.1 mt -75.89 -43.58 44.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.506 176.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.628 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 50.5 m -51.98 -30.67 26.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.962 -178.29 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -88.99 -46.29 8.99 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.585 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 83.9 t -81.35 -54.18 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -170.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 42' ' ' LEU . 33.4 m -83.1 -21.61 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.276 -0.57 . . . . 0.0 111.536 -174.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.628 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 83.1 m-85 -91.68 32.4 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.178 0.513 . . . . 0.0 111.052 177.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 43.0 tttm -129.83 -59.28 1.07 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.635 173.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -53.19 117.61 3.16 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.844 0.715 . . . . 0.0 111.694 -172.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.3 p -69.19 -29.57 67.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.668 -174.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.8 mt -71.0 -48.34 53.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.34 . . . . 0.0 110.466 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.47 -46.9 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.221 175.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.545 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -60.37 -39.49 87.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.37 179.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.96 -45.61 88.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.736 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -61.06 -47.13 87.8 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.152 -176.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -70.43 -48.58 55.29 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -60.11 -30.81 69.51 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.767 0.317 . . . . 0.0 111.38 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.7 ttm-85 -88.21 -53.5 4.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.266 -0.425 . . . . 0.0 112.132 -176.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -84.69 -19.62 32.52 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -169.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -129.6 161.86 29.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.079 0.466 . . . . 0.0 111.498 -175.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.8 t -95.92 110.11 23.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 170.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.508 ' HB3' ' CD1' ' A' ' 8' ' ' PHE . 34.7 m-80 -82.78 104.0 12.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.885 -173.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 11' ' ' LEU . 54.4 tp -100.19 126.82 46.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.523 -178.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.726 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 64.0 tttm -99.28 122.24 42.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.454 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.483 ' HB2' ' HG ' ' A' ' 31' ' ' CYS . 12.6 mmt -132.04 123.54 27.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.968 178.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.56 ' HB2' ' HB3' ' A' ' 69' ' ' LYS . 4.0 m-20 -92.32 149.27 21.53 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.532 175.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 24.7 mmt -67.36 -20.41 65.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.057 0.456 . . . . 0.0 111.201 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -115.85 14.73 16.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.615 -176.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.56 ' HB3' ' HB2' ' A' ' 66' ' ' ASP . 81.0 tttt -129.28 129.06 44.43 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 120.799 0.333 . . . . 0.0 110.628 -175.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.44 -131.39 38.16 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.374 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 1.8 mp0 -90.63 8.86 32.11 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.013 -0.094 . . . . 0.0 111.092 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' A' ' 66' ' ' ASP . . . -55.16 -40.6 75.45 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 121.416 -0.421 . . . . 0.0 112.759 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.47 -36.71 77.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.772 0.32 . . . . 0.0 110.997 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -71.31 -37.73 71.78 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 92.6 mt -61.8 -39.54 92.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.886 0.374 . . . . 0.0 110.24 177.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -57.88 -44.97 87.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.547 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -76.59 -29.49 56.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.939 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -68.62 -49.71 57.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.075 -177.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.441 ' CZ ' HD23 ' A' ' 88' ' ' LEU . 85.3 m-85 -96.72 -4.19 41.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.313 -174.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 60.27 41.2 98.24 Favored Glycine 0 C--N 1.332 0.306 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.6 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.468 HG13 HG21 ' A' ' 86' ' ' THR . 26.9 m -78.48 139.33 18.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.803 0.335 . . . . 0.0 110.81 -177.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -127.82 9.05 6.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.679 -176.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.452 ' CB ' ' HB ' ' A' ' 101' ' ' VAL . . . -101.56 179.75 4.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.473 0.177 . . . . 0.0 110.697 -177.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.783 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 68.2 m-85 -90.76 -51.48 0.32 Allowed Pre-proline 0 C--O 1.237 0.402 0 CA-C-O 119.52 -0.276 . . . . 0.0 111.071 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.783 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 11.4 Cg_endo -93.24 137.55 1.38 Allowed 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 122.569 2.179 . . . . 0.0 110.978 170.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.539 ' HB ' ' HB2' ' A' ' 31' ' ' CYS . 2.2 m -133.75 114.5 13.47 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.459 -176.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.7 mp -103.97 111.71 24.38 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.443 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 16.4 tp -116.81 135.49 53.7 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.044 -173.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -109.06 109.36 20.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.386 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.571 ' HB ' ' HB2' ' A' ' 27' ' ' LEU . 48.6 mm -104.89 130.54 55.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.102 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -100.42 -178.42 3.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.983 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.3 m -65.14 -19.65 66.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.095 -175.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.2 m -78.18 0.53 24.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.97 0.414 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 73.45 30.87 61.7 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.274 177.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -143.22 -179.29 6.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.537 0.208 . . . . 0.0 110.681 -178.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 10.2 p -108.93 151.75 11.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.252 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 45.1 t -107.22 -48.25 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 174.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -126.69 125.61 42.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.476 178.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -91.53 126.86 36.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.832 175.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.9 tt -126.47 112.11 15.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.193 0.521 . . . . 0.0 110.283 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.452 ' HB ' ' CB ' ' A' ' 83' ' ' ALA . 30.7 m -109.64 140.42 28.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.161 176.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.55 171.05 27.97 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.86 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.414 ' HB1' HD21 ' A' ' 42' ' ' LEU . . . -145.35 161.15 40.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.834 0.317 . . . . 0.0 111.07 -178.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.636 ' HG3' ' HD3' ' A' ' 112' ' ' LYS . 29.1 mm-40 -129.64 -174.01 3.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.866 -175.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.423 ' OD1' ' HD2' ' A' ' 107' ' ' PRO . 5.8 t70 -65.26 162.9 16.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 170.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.83 -57.01 17.75 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -171.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.423 ' HD2' ' OD1' ' A' ' 105' ' ' ASP . 28.6 Cg_endo -62.98 -39.53 39.88 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.995 1.796 . . . . 0.0 112.799 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -70.42 -38.48 74.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.342 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 41.0 tp -58.74 -49.19 78.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.232 0.539 . . . . 0.0 109.767 178.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 40.9 tp -58.86 -35.38 72.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.93 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -65.06 -52.28 56.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.337 177.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.636 ' HD3' ' HG3' ' A' ' 104' ' ' GLU . 49.1 mtpt -63.81 -38.0 89.47 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -172.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 27.2 m -69.47 -44.63 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.301 0 CA-C-O 120.407 0.146 . . . . 0.0 111.235 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -67.42 -35.22 78.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.071 0.462 . . . . 0.0 111.25 178.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 50.5 tp -66.78 -39.16 87.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.41 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -66.36 -36.04 91.06 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.889 -178.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 34.3 m -92.92 -0.74 10.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -176.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 57.35 87.02 0.07 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.455 0.472 . . . . 0.0 111.381 -178.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.1 m -80.92 -63.77 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.92 -178.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -158.89 -45.97 0.06 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.77 0.319 . . . . 0.0 110.911 -177.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.392 -1.227 . . . . 0.0 111.486 -179.155 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.975 0 CA-C-O 120.736 0.303 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -94.41 139.66 30.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.752 0.31 . . . . 0.0 110.418 177.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -138.41 86.93 2.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.874 178.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -105.78 100.67 10.22 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -174.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 93.23 -145.65 17.72 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.987 176.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.518 HG12 ' HA ' ' A' ' 53' ' ' ALA . 62.8 mt -91.12 135.74 26.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.74 0.305 . . . . 0.0 110.516 -177.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.65 108.46 20.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.025 0.44 . . . . 0.0 111.148 -178.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -93.15 152.84 19.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.098 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -117.76 152.61 34.95 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.178 177.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -98.61 94.68 6.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.662 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.489 ' O ' HD12 ' A' ' 63' ' ' LEU . 92.8 mt -139.94 164.41 30.09 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 p -89.47 174.44 7.79 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 172.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.506 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 69.7 t80 -59.75 -52.52 73.24 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.249 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 15.7 Cg_endo -57.5 -35.69 98.81 Favored 'Trans proline' 0 C--N 1.359 1.119 0 C-N-CA 122.377 2.051 . . . . 0.0 112.417 176.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.19 -42.5 88.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.96 0.409 . . . . 0.0 111.089 178.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.452 ' HB2' HD22 ' A' ' 63' ' ' LEU . . . -70.92 -35.25 72.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.612 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.5 tp -67.26 -36.56 81.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.377 0.608 . . . . 0.0 109.878 177.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.59 ' HE2' ' HA ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -55.95 -52.31 64.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.743 172.436 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -58.59 -36.38 73.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.861 176.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.37 -35.74 76.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.653 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -69.18 -37.27 78.09 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.483 177.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.2 t -73.72 -56.5 9.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.519 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -77.34 -30.25 53.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.59 -175.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.9 t70 60.38 37.6 19.96 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 122.339 1.066 . . . . 0.0 109.038 -175.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . 35.8 ttmt -112.37 151.8 29.36 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.429 -1.259 . . . . 0.0 109.322 -176.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 98.5 mt -66.88 145.71 55.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.899 0.381 . . . . 0.0 110.879 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.432 ' HB2' HG21 ' A' ' 90' ' ' ILE . 3.1 mm? -96.4 130.44 43.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.818 -176.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -113.4 103.05 10.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.277 175.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.6 ' HB ' ' HB3' ' A' ' 88' ' ' LEU . 37.3 t -103.11 111.94 34.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.051 0.453 . . . . 0.0 110.858 -177.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -84.08 116.5 22.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.012 176.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.472 ' HB3' ' HE1' ' A' ' 67' ' ' MET . 82.2 m -114.06 113.3 24.56 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 177.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -111.37 149.3 31.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.33 -173.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.446 ' C ' ' H ' ' A' ' 35' ' ' TRP . 30.4 m -100.88 152.54 20.41 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 169.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.8 p -73.07 15.0 0.23 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.451 ' HD1' ' HD2' ' A' ' 38' ' ' PRO . 62.4 t-105 -75.92 129.56 37.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.455 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 54.1 t -89.92 115.63 27.38 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.228 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 160.55 -98.11 0.16 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.357 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.451 ' HD2' ' HD1' ' A' ' 35' ' ' TRP . 78.3 Cg_exo -50.7 -30.49 29.16 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.735 2.957 . . . . 0.0 113.277 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.1 p -57.95 -41.28 82.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.359 . . . . 0.0 111.232 178.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -72.42 -37.96 68.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.119 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -59.78 -40.31 87.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.339 178.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.621 HD13 ' HB2' ' A' ' 103' ' ' ALA . 43.5 tp -70.41 -55.75 8.3 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.533 177.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.555 ' HA ' ' CD2' ' A' ' 47' ' ' PHE . 13.9 t -59.25 -30.99 68.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.865 -173.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -65.01 -33.98 77.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -176.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.579 HG22 HG13 ' A' ' 46' ' ' VAL . 4.8 m -108.75 -52.75 6.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -175.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.635 HG12 ' HA ' ' A' ' 106' ' ' ALA . 15.7 m -74.61 -26.2 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -169.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.555 ' CD2' ' HA ' ' A' ' 43' ' ' SER . 22.6 m-85 -101.66 18.06 21.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.091 0.472 . . . . 0.0 109.975 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -123.49 -34.63 3.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.279 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.422 ' OD2' ' HB2' ' A' ' 51' ' ' LEU . 32.1 t70 -72.99 121.65 20.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.038 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.8 m -69.74 -25.69 63.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.994 -175.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.422 ' HB2' ' OD2' ' A' ' 49' ' ' ASP . 79.8 mt -70.3 -51.13 32.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.964 0.412 . . . . 0.0 110.412 -178.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 84.2 t -63.02 -42.18 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.119 176.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.518 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -58.31 -51.43 69.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.625 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -57.61 -42.44 83.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.159 -178.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -59.46 -48.68 80.7 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.225 -178.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -74.6 -41.67 60.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.824 -177.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -57.95 -30.79 66.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.884 0.373 . . . . 0.0 111.34 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.0 ttm105 -88.52 -51.95 5.43 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -89.53 -11.08 43.85 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -168.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -130.81 146.69 52.32 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.402 -176.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.2 t -87.41 109.79 19.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 169.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -84.07 110.16 18.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.372 0.606 . . . . 0.0 111.259 -172.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 11' ' ' LEU . 58.5 tp -118.56 143.09 47.01 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.855 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -117.21 132.45 56.63 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.343 175.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.9 tpt -129.97 135.82 48.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.819 0.342 . . . . 0.0 111.287 -175.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -69.18 159.85 32.21 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.947 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.472 ' HE1' ' HB3' ' A' ' 31' ' ' CYS . 43.3 tpp -98.69 -18.47 18.02 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.229 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -114.73 -51.12 2.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.451 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -73.84 131.53 41.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.969 -175.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.31 -147.99 21.88 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.592 -178.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -89.39 18.6 5.1 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 122.572 -0.369 . . . . 0.0 110.926 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -57.64 -36.96 80.96 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 121.149 -0.548 . . . . 0.0 112.28 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 32.3 m -65.15 -25.57 37.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.011 0.434 . . . . 0.0 111.147 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -75.29 -48.36 23.61 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.92 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.4 mp -60.1 -39.1 84.98 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.729 176.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.816 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 55.8 ttp180 -58.77 -43.43 90.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.02 0.438 . . . . 0.0 110.773 178.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.571 ' HZ1' ' HB2' ' A' ' 77' ' ' LYS . 5.1 ttmp? -74.64 -30.21 61.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.13 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -74.84 -44.5 48.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.558 -175.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -95.68 -0.19 51.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.374 -175.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.7 58.67 8.06 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.343 178.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.816 ' HB ' ' HG3' ' A' ' 76' ' ' ARG . 84.7 t -92.64 113.43 27.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.036 0.446 . . . . 0.0 111.217 -176.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -120.17 -22.13 6.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.673 174.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.89 177.25 8.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.562 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.701 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 22.8 m-85 -92.49 -53.18 0.27 Allowed Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -172.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.701 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 32.8 Cg_endo -93.69 105.6 0.15 Allowed 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 122.179 1.919 . . . . 0.0 111.823 176.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.8 m -118.79 121.7 40.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.95 0.405 . . . . 0.0 110.874 -177.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.5 mp -103.84 119.9 39.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.908 -177.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.6 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 1.3 tt -105.52 121.93 44.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.353 -177.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -111.39 118.82 36.88 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 175.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.432 HG21 ' HB2' ' A' ' 27' ' ' LEU . 13.5 tt -135.83 154.33 34.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.449 -178.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -105.34 177.89 4.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.772 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.4 t -62.25 -28.72 69.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.437 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.0 t -68.98 -22.51 64.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.058 0.456 . . . . 0.0 110.527 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 87.35 23.39 40.48 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.627 -0.797 . . . . 0.0 111.786 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -109.71 149.22 30.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.921 0.391 . . . . 0.0 110.124 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.528 HG13 ' HG3' ' A' ' 99' ' ' ARG . 21.5 t -96.4 107.7 20.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.573 -177.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.4 t -71.62 -50.17 41.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 177.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -151.9 136.42 16.91 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.283 0.563 . . . . 0.0 110.952 178.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.528 ' HG3' HG13 ' A' ' 96' ' ' VAL . 13.5 mtm180 -96.98 155.07 16.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.701 174.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 42.8 tp -135.46 107.23 7.01 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.02 0.438 . . . . 0.0 110.445 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.0 m -105.49 101.64 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.705 0.764 . . . . 0.0 110.705 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 117.85 151.49 9.24 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.233 -176.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.621 ' HB2' HD13 ' A' ' 42' ' ' LEU . . . -140.67 129.04 22.5 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 122.556 -0.379 . . . . 0.0 110.908 -174.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -102.47 -175.12 2.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.38 -176.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.05 164.96 3.61 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.978 178.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.635 ' HA ' HG12 ' A' ' 46' ' ' VAL . . . -48.22 -56.45 14.04 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -173.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -61.9 -42.32 31.71 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.863 1.709 . . . . 0.0 112.551 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -65.49 -43.07 91.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 -178.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.4 tp -64.86 -47.1 79.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.362 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 48.0 tp -53.98 -49.85 67.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.054 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -70.56 -35.75 73.25 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.046 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -57.57 -42.78 83.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.026 0.441 . . . . 0.0 110.833 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.502 ' O ' HG21 ' A' ' 117' ' ' VAL . 87.9 t -69.67 -47.31 71.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -63.59 -45.37 90.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.273 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 34.5 tp -71.48 -22.6 61.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.17 0.51 . . . . 0.0 110.498 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.6 -19.2 79.95 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.097 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.502 HG21 ' O ' ' A' ' 113' ' ' VAL . 23.1 t -97.8 -51.04 10.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.933 0.397 . . . . 0.0 110.559 178.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -90.26 108.69 19.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -177.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.3 t -74.71 -31.29 61.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.845 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -109.37 146.06 35.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.892 0.377 . . . . 0.0 111.054 -175.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.252 0 CA-C-O 117.92 -1.489 . . . . 0.0 111.311 -178.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 120.617 0.246 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -112.0 150.3 30.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.781 0.324 . . . . 0.0 110.646 -179.121 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.79 124.16 33.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.654 176.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -165.07 -45.69 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.168 0.508 . . . . 0.0 110.447 -178.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' A' ' 47' ' ' PHE . . . -88.8 -133.8 4.76 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.003 176.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.52 ' CD1' ' HA ' ' A' ' 53' ' ' ALA . 28.2 mm -59.75 131.41 24.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 177.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -103.43 88.95 3.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.124 176.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.748 ' HB3' ' HB3' ' A' ' 64' ' ' LYS . 53.7 m-85 -74.07 118.31 16.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.299 178.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -97.66 155.61 16.92 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.453 -177.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.39 114.27 17.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.828 0.823 . . . . 0.0 111.667 -179.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.485 ' HG ' ' HB3' ' A' ' 16' ' ' ALA . 1.4 pt? -137.47 165.85 25.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.24 -0.891 . . . . 0.0 108.899 176.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.4 m -57.54 138.7 54.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.31 0.381 . . . . 0.0 110.765 -177.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.606 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 68.7 t80 -50.26 -52.32 55.17 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.123 -177.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.606 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 71.2 Cg_exo -49.98 -43.32 42.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 C-N-CA 122.261 1.974 . . . . 0.0 112.789 174.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -68.34 -43.94 76.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.326 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.485 ' HB3' ' HG ' ' A' ' 11' ' ' LEU . . . -67.02 -41.92 85.79 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.034 -176.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.443 HD12 ' HA2' ' A' ' 94' ' ' GLY . 19.8 tp -62.08 -43.45 98.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.305 0.574 . . . . 0.0 110.069 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -62.95 -43.55 98.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.626 176.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.404 ' HA ' HG22 ' A' ' 22' ' ' VAL . 20.0 tpp180 -61.02 -39.41 89.67 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.894 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.424 ' HB2' ' HG ' ' A' ' 27' ' ' LEU . . . -62.81 -40.51 97.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.022 0.439 . . . . 0.0 110.527 176.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -67.16 -45.49 76.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.198 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.404 HG22 ' HA ' ' A' ' 19' ' ' ARG . 35.4 m -72.41 -25.71 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.857 0.361 . . . . 0.0 111.174 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -84.42 -13.71 51.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 110.392 177.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 65.0 29.35 12.26 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.908 -178.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -126.96 176.31 7.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.956 0.408 . . . . 0.0 110.404 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.444 ' HG ' ' HA ' ' A' ' 91' ' ' ASN . 7.3 mp -101.39 157.53 16.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.285 179.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.489 HD22 ' HB ' ' A' ' 61' ' ' VAL . 72.9 mt -89.03 115.18 26.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.43 178.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.407 ' CZ ' HD11 ' A' ' 87' ' ' LEU . 79.3 t80 -90.81 101.27 14.02 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 172.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.847 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 48.6 t -93.87 113.59 28.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.249 -172.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -79.78 100.98 8.21 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.429 174.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.6 t -103.07 113.29 26.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.455 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -140.1 152.87 46.49 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.19 -177.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.85 155.23 17.49 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.0 m -71.26 -4.75 27.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.063 0.458 . . . . 0.0 111.637 -174.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -74.96 131.36 40.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.908 176.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.4 t -81.05 114.44 19.92 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.412 ' HA3' ' HD2' ' A' ' 38' ' ' PRO . . . -152.55 -131.77 1.71 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.074 -179.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.412 ' HD2' ' HA3' ' A' ' 37' ' ' GLY . 10.1 Cg_endo -54.82 -24.42 38.32 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.353 2.702 . . . . 0.0 112.905 -179.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.4 p -60.12 -30.36 69.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.59 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -62.89 -28.99 70.42 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.833 0.349 . . . . 0.0 110.503 -178.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -73.89 -43.2 59.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.912 177.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.607 ' O ' HG12 ' A' ' 46' ' ' VAL . 58.5 tp -62.56 -48.45 79.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.449 178.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.479 ' HA ' ' CD2' ' A' ' 47' ' ' PHE . 22.3 m -57.65 -29.21 64.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.247 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -75.23 -29.03 60.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.727 -177.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.3 m -100.27 -49.19 11.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -175.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 42' ' ' LEU . 14.1 p -74.04 -26.74 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.945 0.402 . . . . 0.0 111.791 -171.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.479 ' CD2' ' HA ' ' A' ' 43' ' ' SER . 48.0 m-85 -91.47 15.63 11.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.521 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -125.25 -41.86 2.03 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.635 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.416 ' OD2' HG22 ' A' ' 52' ' ' VAL . 26.3 t70 -73.96 118.04 16.45 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.019 0.438 . . . . 0.0 111.02 -177.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.5 m -69.52 -26.28 64.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.91 -175.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.9 tp -69.85 -49.18 55.03 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.586 HG21 HD12 ' A' ' 110' ' ' LEU . 97.5 t -62.06 -39.65 84.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.143 176.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.52 ' HA ' ' CD1' ' A' ' 6' ' ' ILE . . . -56.72 -45.71 81.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.154 178.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -72.41 -41.2 66.5 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.952 0.406 . . . . 0.0 110.798 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -56.53 -52.45 64.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.339 -176.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -75.16 -30.63 60.79 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -178.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -72.14 -40.7 67.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.67 0.271 . . . . 0.0 111.6 -177.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -81.27 -37.34 28.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.599 -174.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -81.25 -36.61 29.72 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -175.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -129.35 163.29 26.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.957 0.408 . . . . 0.0 111.098 -175.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.489 ' HB ' HD22 ' A' ' 27' ' ' LEU . 46.1 t -85.75 122.01 37.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 174.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -81.12 100.48 9.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.207 0.527 . . . . 0.0 110.578 -176.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.483 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 47.9 tp -119.21 125.74 49.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.201 -178.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.748 ' HB3' ' HB3' ' A' ' 8' ' ' PHE . 13.6 ptmm? -103.73 141.9 35.28 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 176.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 18.7 mmt -137.2 129.29 29.32 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.737 0.303 . . . . 0.0 110.426 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.563 ' O ' ' HA3' ' A' ' 72' ' ' GLY . 2.2 t70 -73.51 157.68 36.31 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 176.394 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.476 ' HE2' ' HG3' ' A' ' 76' ' ' ARG . 87.0 mtp -94.55 -12.32 27.78 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.058 -178.121 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -115.59 -42.68 3.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.791 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -83.33 129.38 34.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -177.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.86 -149.01 21.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.47 176.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -84.48 3.08 37.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.796 0.331 . . . . 0.0 110.502 178.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.563 ' HA3' ' O ' ' A' ' 66' ' ' ASP . . . -57.84 -31.7 64.87 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.477 178.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.45 HG23 ' NH2' ' A' ' 76' ' ' ARG . 6.7 p -60.61 -33.66 55.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 177.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -67.52 -49.63 62.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.115 -179.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.03 -35.4 80.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.642 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.476 ' HG3' ' HE2' ' A' ' 67' ' ' MET . 61.4 ttp180 -55.38 -47.6 75.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.423 178.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.425 ' HB3' ' HE3' ' A' ' 77' ' ' LYS . 22.6 ttpp -76.38 -35.16 58.8 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.105 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -66.48 -41.32 89.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.612 -173.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -87.18 -9.06 56.18 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.047 -177.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 62.66 64.39 3.88 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.927 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.3 m -72.78 138.75 20.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.214 0.53 . . . . 0.0 112.059 -175.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -133.47 18.59 3.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.425 0.631 . . . . 0.0 109.62 171.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.74 167.75 19.57 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.75 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.7 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 77.7 m-85 -92.36 -51.44 0.28 Allowed Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.307 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.7 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 7.4 Cg_endo -88.48 125.64 1.79 Allowed 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 122.197 1.931 . . . . 0.0 111.547 174.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 64.1 m -139.55 127.79 22.59 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.762 0.315 . . . . 0.0 110.568 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 3.0 mm? -97.3 117.01 30.57 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.847 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 94.7 mt -106.44 133.43 51.13 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.782 -177.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -116.02 106.24 13.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.833 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 65.1 mt -112.44 121.85 65.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.444 ' HA ' ' HG ' ' A' ' 26' ' ' LEU . 22.4 p-10 -84.21 177.08 8.34 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.509 -176.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.1 m -63.05 -22.26 66.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.26 -176.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.8 m -80.73 -0.21 37.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.197 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.443 ' HA2' HD12 ' A' ' 17' ' ' LEU . . . 72.95 34.3 59.0 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.02 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -124.27 150.87 44.88 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.973 0.415 . . . . 0.0 110.76 -177.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.5 t -78.99 93.55 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.543 176.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 9.2 p -72.05 -34.05 49.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.437 -178.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -154.26 147.23 24.51 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.595 177.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -126.38 128.59 47.28 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 177.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.548 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 47.0 tp -120.11 111.62 18.09 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.41 -178.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 60.8 t -93.81 120.01 42.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.257 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.73 159.59 32.75 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.585 -0.816 . . . . 0.0 111.348 -177.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.429 ' HB1' HD22 ' A' ' 42' ' ' LEU . . . -131.24 138.92 49.54 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.109 0.481 . . . . 0.0 110.658 -178.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.488 ' HG3' ' HZ2' ' A' ' 112' ' ' LYS . 5.9 mm-40 -112.55 -175.22 2.62 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.715 -174.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -59.86 155.22 16.79 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 173.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.586 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -48.39 -54.04 29.4 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.586 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 24.3 Cg_exo -64.13 -38.0 38.9 Favored 'Trans proline' 0 C--N 1.359 1.098 0 C-N-CA 121.783 1.655 . . . . 0.0 112.219 177.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -65.83 -33.7 76.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.583 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.9 tp -69.06 -44.03 73.42 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.12 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.586 HD12 HG21 ' A' ' 52' ' ' VAL . 94.7 mt -54.88 -47.59 74.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.548 -179.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.545 ' HB2' ' HZ3' ' A' ' 111' ' ' LYS . 0.0 OUTLIER -65.71 -41.42 92.35 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.128 -0.229 . . . . 0.0 111.379 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.488 ' HZ2' ' HG3' ' A' ' 104' ' ' GLU . 39.1 mttp -57.17 -46.06 83.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.184 175.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.2 t -67.13 -48.9 77.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.701 0.286 . . . . 0.0 110.9 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -58.84 -45.88 88.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.425 -176.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 40.1 tp -77.22 -29.77 54.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.985 0.421 . . . . 0.0 111.049 -178.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -68.22 -42.87 82.27 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.149 -0.548 . . . . 0.0 113.348 -175.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 35.3 m -89.39 -3.08 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -176.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -126.68 98.41 5.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.916 0.389 . . . . 0.0 110.943 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.2 t -102.51 143.73 31.84 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 172.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -80.37 95.14 6.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.244 0.545 . . . . 0.0 109.938 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.966 0 CA-C-O 118.474 -1.181 . . . . 0.0 111.208 -176.848 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.628 0.251 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -98.4 105.63 17.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.059 0.457 . . . . 0.0 110.124 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.34 144.5 42.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.068 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -110.93 -49.89 2.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.922 0.391 . . . . 0.0 110.728 -177.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.1 -126.21 2.54 Favored Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.875 -173.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.442 HG12 ' HA ' ' A' ' 53' ' ' ALA . 25.6 mt -59.95 138.69 20.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 114.951 -0.625 . . . . 0.0 111.165 -178.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -102.68 102.58 12.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.074 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.889 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 80.6 m-85 -90.58 131.33 36.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.107 178.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.462 ' HG3' HD11 ' A' ' 11' ' ' LEU . 15.2 ptp180 -108.66 142.18 39.53 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.711 -177.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -93.41 94.16 8.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.786 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.462 HD11 ' HG3' ' A' ' 9' ' ' ARG . 9.9 mp -122.44 167.36 13.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.545 175.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.41 ' HB2' ' HG3' ' A' ' 15' ' ' GLU . 9.2 m -73.83 161.9 29.69 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.499 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 38.3 t80 -62.38 -50.69 78.07 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-O 119.481 -0.295 . . . . 0.0 111.133 -178.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 10.1 Cg_endo -55.31 -42.32 69.59 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 122.036 1.824 . . . . 0.0 112.214 174.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.41 ' HG3' ' HB2' ' A' ' 12' ' ' SER . 47.0 mt-10 -57.78 -53.99 51.93 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.129 0.49 . . . . 0.0 110.856 177.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.39 -33.2 75.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.109 -177.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.9 tp -64.25 -46.63 82.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.225 0.536 . . . . 0.0 109.835 177.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -61.22 -41.42 96.83 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.901 176.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.7 mmm-85 -60.35 -47.91 84.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.816 175.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.07 -37.35 76.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.98 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -63.14 -47.59 82.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.879 177.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.9 t -70.74 -48.88 55.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.612 -177.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -63.94 -24.99 67.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.988 0.423 . . . . 0.0 109.946 177.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.5 t0 58.98 64.18 1.46 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.555 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -159.77 174.81 13.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.664 -178.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.7 mp -73.6 141.74 46.59 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.226 0.536 . . . . 0.0 111.196 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.516 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 59.5 tp -90.34 122.26 33.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.551 178.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -102.28 111.38 23.65 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.864 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 46.0 t -101.59 117.73 47.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.321 0.582 . . . . 0.0 111.227 -176.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.503 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 11.7 t70 -81.3 112.8 18.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.029 175.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.8 m -122.16 122.63 39.63 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.166 175.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -143.75 155.45 44.19 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.006 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -100.8 152.79 20.08 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 171.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.4 t -66.24 -2.94 4.84 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -176.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -71.83 117.78 13.85 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 175.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.8 p -90.92 88.51 7.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.254 0.55 . . . . 0.0 111.874 -172.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.38 -106.71 1.03 Allowed Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -53.76 -32.47 66.13 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.911 2.407 . . . . 0.0 112.57 175.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.0 t -64.61 -33.54 76.18 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 110.593 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -74.42 -35.43 63.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.945 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 32.3 mtp-105 -62.55 -42.27 99.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.206 0.527 . . . . 0.0 109.985 177.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.566 HD12 HG22 ' A' ' 46' ' ' VAL . 42.1 tp -61.6 -49.52 76.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.408 177.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.601 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 47.9 m -64.42 -29.88 70.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.676 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -66.07 -58.99 4.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.117 -177.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.42 HG23 HG21 ' A' ' 46' ' ' VAL . 14.5 m -95.18 -45.56 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -171.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.566 HG22 HD12 ' A' ' 42' ' ' LEU . 62.1 t -71.01 -39.94 75.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.827 0.346 . . . . 0.0 111.545 -172.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.601 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 59.7 m-85 -81.68 48.55 1.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.088 0.471 . . . . 0.0 111.521 -177.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -147.49 -38.83 0.19 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.289 177.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.506 ' HB3' HG12 ' A' ' 52' ' ' VAL . 29.1 t70 -64.22 130.04 42.31 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -178.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.7 m -67.93 -39.9 83.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.607 -175.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.0 mt -70.24 -48.36 57.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.642 -173.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.545 HG21 HD21 ' A' ' 110' ' ' LEU . 6.1 p -66.45 -39.3 83.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.36 0.6 . . . . 0.0 110.23 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.442 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -62.79 -50.04 72.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.795 177.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -57.51 -44.12 84.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.781 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -54.67 -57.67 10.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.285 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -71.52 -37.25 71.22 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -177.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.55 ' HA ' ' ND2' ' A' ' 62' ' ' ASN . 65.4 t30 -69.43 -35.95 76.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.58 0.229 . . . . 0.0 111.417 -175.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -88.25 -48.44 7.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.794 0.33 . . . . 0.0 111.559 -178.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -73.68 -25.84 60.44 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -171.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -123.74 154.98 38.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.628 0.252 . . . . 0.0 110.599 -177.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.4 t -89.61 114.1 27.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 170.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.55 ' ND2' ' HA ' ' A' ' 57' ' ' ASN . 41.3 m-80 -90.47 109.19 20.32 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.5 0.667 . . . . 0.0 111.785 -171.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.456 HD21 ' HE3' ' A' ' 65' ' ' MET . 49.3 tp -104.25 139.85 38.68 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.548 178.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.889 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 57.5 tttp -121.88 133.11 54.86 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.6 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.456 ' HE3' HD21 ' A' ' 63' ' ' LEU . 51.7 mtt -146.53 157.82 43.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.729 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.554 ' HB3' ' H ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -96.41 160.22 14.53 Favored 'General case' 0 CA--C 1.492 -1.264 0 CA-C-O 121.261 0.553 . . . . 0.0 109.815 172.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 12.4 ptp -103.85 -1.04 28.39 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.88 169.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -113.3 -24.75 9.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.118 0.485 . . . . 0.0 110.362 -177.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.554 ' H ' ' HB3' ' A' ' 66' ' ' ASP . 34.1 mmtp -101.22 146.69 27.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.06 178.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 62.88 -135.42 43.75 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.782 -0.645 . . . . 0.0 113.393 174.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -83.19 10.93 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.055 0.455 . . . . 0.0 110.769 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -58.84 -31.67 68.47 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.632 -0.713 . . . . 0.0 113.125 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.4 m -62.31 -35.7 70.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 116.953 0.377 . . . . 0.0 111.684 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -73.92 -40.6 63.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.839 0.352 . . . . 0.0 110.527 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.48 ' O ' ' HD1' ' A' ' 79' ' ' TYR . 94.8 mt -66.19 -31.25 71.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.111 176.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.895 ' HG3' HG21 ' A' ' 81' ' ' VAL . 19.0 ttm180 -58.16 -55.72 31.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.859 177.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -72.31 -22.37 61.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 110.702 -178.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -64.43 -39.97 94.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.825 178.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.48 ' HD1' ' O ' ' A' ' 75' ' ' LEU . 78.0 m-85 -105.45 -14.63 15.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.436 -176.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 113.34 -49.1 0.87 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.506 -0.854 . . . . 0.0 114.032 169.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.895 HG21 ' HG3' ' A' ' 76' ' ' ARG . 48.0 t 53.58 103.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 122.03 0.919 . . . . 0.0 112.797 -170.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -121.46 -40.89 2.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.167 171.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.54 -167.45 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.17 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.745 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 71.3 m-85 -98.93 -52.4 0.2 Allowed Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.837 -0.165 . . . . 0.0 111.171 176.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.745 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 12.1 Cg_endo -93.01 142.49 2.07 Favored 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 122.329 2.02 . . . . 0.0 112.122 175.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.3 m -147.19 124.8 11.76 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.981 0.419 . . . . 0.0 110.893 178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.481 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 2.4 mm? -101.73 119.52 38.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.472 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.864 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 88.9 mt -106.96 130.99 54.53 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.112 0.482 . . . . 0.0 111.546 -175.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -108.91 110.93 22.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.587 175.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.516 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 39.6 mm -112.52 138.29 42.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.761 -176.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -74.83 161.9 29.15 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 174.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.9 p -69.36 -17.0 63.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.101 0.477 . . . . 0.0 110.701 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.4 m -79.45 -9.28 59.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.354 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 85.21 53.93 2.99 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.396 -178.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.85 154.52 38.53 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -179.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 33.5 m -85.93 137.09 21.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.185 0.516 . . . . 0.0 111.39 -174.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.8 t -89.52 -58.57 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.349 175.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -155.56 141.27 18.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.541 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -103.15 113.72 27.43 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.481 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 51.0 tp -99.86 107.51 19.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.923 0.392 . . . . 0.0 110.269 -179.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 30.8 m -98.25 144.46 11.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.523 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 88.85 145.93 12.18 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.813 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.476 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . . . -116.93 115.09 24.8 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.932 0.396 . . . . 0.0 110.373 -178.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -99.22 175.32 5.93 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.726 -178.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -73.76 173.94 9.12 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 175.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.574 ' HB2' ' HD3' ' A' ' 107' ' ' PRO . . . -52.34 -55.16 34.26 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -171.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.574 ' HD3' ' HB2' ' A' ' 106' ' ' ALA . 22.8 Cg_exo -63.53 -42.62 20.48 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 121.774 1.649 . . . . 0.0 112.478 -178.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 49.0 tp10 -69.48 -39.62 77.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.693 -177.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 41.6 tp -59.71 -47.31 86.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.075 0.464 . . . . 0.0 110.073 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.545 HD21 HG21 ' A' ' 52' ' ' VAL . 84.8 mt -58.04 -35.02 70.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.124 -0.943 . . . . 0.0 111.047 177.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -66.77 -47.16 73.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.146 0.498 . . . . 0.0 110.116 176.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 108' ' ' GLU . 14.4 mmmm -63.42 -36.98 85.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.767 -176.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.0 p -73.53 -39.92 54.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.082 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -65.33 -55.24 19.34 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.552 0.215 . . . . 0.0 110.999 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.5 -9.23 56.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.475 -176.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -80.74 -28.18 47.8 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.265 178.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 40.5 t -115.07 -52.87 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.698 0.285 . . . . 0.0 110.676 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 66.8 116.5 0.03 OUTLIER 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.568 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.6 m 64.18 84.74 0.15 Allowed 'General case' 0 C--O 1.236 0.387 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.408 175.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -81.78 -13.36 57.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.565 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.781 0 CA-C-O 118.923 -0.932 . . . . 0.0 111.256 -178.653 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 120.814 0.34 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -147.92 159.25 44.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.339 0.59 . . . . 0.0 111.723 -177.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -138.04 23.54 2.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.15 174.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -86.82 108.32 18.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.946 -1.024 . . . . 0.0 111.291 -175.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 67.22 -170.37 34.37 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.85 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.567 ' HB ' ' CD2' ' A' ' 47' ' ' PHE . 73.6 mt -95.81 114.42 32.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.026 0.441 . . . . 0.0 109.945 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.82 121.56 32.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.084 -176.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.563 ' HE2' ' HE2' ' A' ' 47' ' ' PHE . 57.6 m-85 -94.9 147.77 23.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.275 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.406 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 20.4 mtt180 -113.27 144.79 42.13 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -126.36 93.5 3.82 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.88 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.3 mt -114.67 168.04 10.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.428 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 m -58.03 154.22 13.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.809 0.338 . . . . 0.0 110.677 175.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.427 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 74.6 t80 -53.73 -54.76 42.76 Favored Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -176.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 28.9 Cg_endo -62.52 -32.95 79.9 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 121.952 1.768 . . . . 0.0 112.144 178.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -62.89 -49.54 74.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.707 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.03 -42.53 98.64 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.254 -176.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.4 mt -64.33 -46.52 83.14 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.895 0.379 . . . . 0.0 111.03 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -61.64 -46.49 89.57 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.738 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -64.07 -40.14 95.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.089 178.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.442 ' HA ' ' HB2' ' A' ' 24' ' ' ASP . . . -57.16 -48.48 78.62 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.734 177.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.83 -38.52 85.74 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.51 -177.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.8 t -84.66 -57.35 4.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -173.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -109.55 0.35 19.14 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -169.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.442 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 30.7 m-20 -136.23 -149.29 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 177.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -129.04 -78.99 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.486 HD21 ' HA ' ' A' ' 91' ' ' ASN . 92.4 mt -112.06 159.45 18.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.911 0.386 . . . . 0.0 110.946 -177.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.507 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 58.3 tp -95.75 129.89 42.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.279 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -116.67 107.94 15.31 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.647 HG22 HD21 ' A' ' 63' ' ' LEU . 48.5 t -99.3 120.83 49.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 120.937 0.399 . . . . 0.0 110.674 -178.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -90.69 105.04 17.55 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.654 176.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 94.5 m -109.79 113.08 25.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.307 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -126.55 160.91 29.28 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.458 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 m -100.79 164.12 12.0 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 177.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.0 t -64.83 -13.35 55.67 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -176.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -63.24 145.16 56.11 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.751 0.31 . . . . 0.0 110.313 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 56.4 m -92.77 172.37 8.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.846 -176.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.19 -112.25 1.77 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.446 -0.883 . . . . 0.0 113.608 176.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.495 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 10.0 Cg_endo -51.39 -42.56 54.33 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.725 2.95 . . . . 0.0 113.96 -171.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 70.0 m -62.73 -29.87 71.0 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -174.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 40' ' ' LYS . 21.0 tptm -79.42 -35.45 40.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 110.322 178.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.8 mtm105 -63.43 -36.62 84.36 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.27 177.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 38' ' ' PRO . 95.4 mt -55.83 -45.75 78.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.417 176.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.546 ' HA ' ' HB2' ' A' ' 47' ' ' PHE . 16.4 m -58.23 -29.67 65.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.591 -178.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -86.29 -23.77 26.19 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -177.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.9 t -109.02 -56.44 4.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -175.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.475 ' HA ' ' HB3' ' A' ' 106' ' ' ALA . 11.9 p -84.78 -33.97 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.389 -175.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.567 ' CD2' ' HB ' ' A' ' 6' ' ' ILE . 58.5 m-85 -80.88 15.91 1.63 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.896 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -106.32 -34.53 7.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.802 0.334 . . . . 0.0 111.412 -176.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.425 ' OD2' ' HB3' ' A' ' 51' ' ' LEU . 36.1 t70 -76.16 124.62 27.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.883 0.373 . . . . 0.0 111.284 -175.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.7 m -67.79 -30.65 70.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.64 -176.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.425 ' HB3' ' OD2' ' A' ' 49' ' ' ASP . 41.4 tp -69.43 -51.99 31.05 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 83.3 t -61.63 -42.27 93.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.418 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.542 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -55.65 -43.48 76.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.098 178.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -72.32 -43.31 64.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -55.02 -48.73 73.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.31 -176.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -78.26 -30.76 48.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.457 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 53' ' ' ALA . 21.0 t-20 -61.01 -45.77 93.46 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.01 0.433 . . . . 0.0 111.079 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -90.49 -35.04 15.33 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -175.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -87.92 -18.53 28.95 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -172.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -133.65 157.14 46.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.974 0.416 . . . . 0.0 110.75 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 65.9 t -90.41 110.12 21.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 171.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.511 ' HB3' ' CD1' ' A' ' 8' ' ' PHE . 93.2 m-20 -79.98 103.77 10.1 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.998 -179.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.647 HD21 HG22 ' A' ' 29' ' ' VAL . 48.9 tp -108.11 125.08 51.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.251 -0.432 . . . . 0.0 109.902 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -107.3 124.59 50.0 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.53 ' HE2' ' HG2' ' A' ' 71' ' ' GLU . 82.9 mtp -136.15 138.19 41.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.81 0.338 . . . . 0.0 111.102 -179.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.4 ' O ' ' HA3' ' A' ' 72' ' ' GLY . 2.6 t70 -89.13 156.92 18.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.56 175.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.482 ' HE1' HG21 ' A' ' 81' ' ' VAL . 60.4 mtt -85.52 -4.11 59.06 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.623 -177.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -112.76 -12.96 13.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.431 0.634 . . . . 0.0 109.93 -178.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -101.62 120.34 40.18 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.431 -176.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.58 -123.91 20.55 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.723 -0.671 . . . . 0.0 113.507 171.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.53 ' HG2' ' HE2' ' A' ' 65' ' ' MET . 1.1 pm0 -93.38 11.28 28.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.625 0.25 . . . . 0.0 110.786 -177.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 66' ' ' ASP . . . -59.4 -34.2 79.66 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.385 174.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.3 p -67.28 -34.12 67.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 120.986 0.422 . . . . 0.0 110.955 176.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -71.04 -46.61 61.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.185 178.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.02 -31.26 72.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.161 0.505 . . . . 0.0 110.339 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -59.51 -52.34 65.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.916 178.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -77.05 -31.57 56.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.39 -178.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -63.14 -44.58 95.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.997 -177.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -89.74 -28.29 19.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.636 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 81.03 74.48 1.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.492 176.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.482 HG21 ' HE1' ' A' ' 67' ' ' MET . 14.8 p -76.26 134.79 28.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.254 0.549 . . . . 0.0 111.183 -178.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -136.18 21.5 3.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.601 176.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -139.5 -168.23 2.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.716 -176.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.845 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 36.8 m-85 -92.46 -57.63 0.23 Allowed Pre-proline 0 C--N 1.325 -0.476 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.909 175.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.845 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 73.7 Cg_endo -97.58 151.66 0.92 Allowed 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 122.673 2.249 . . . . 0.0 112.641 177.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.6 m -148.84 122.1 8.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.511 174.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.585 HD21 HD21 ' A' ' 100' ' ' LEU . 6.9 mp -99.33 117.35 33.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.891 179.029 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.474 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 3.0 mm? -102.56 136.22 42.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.808 -178.175 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.423 ' HZ ' HG21 ' A' ' 113' ' ' VAL . 93.6 m-85 -118.21 107.04 13.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.849 176.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.507 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 35.7 mm -106.64 127.85 61.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.188 0.518 . . . . 0.0 111.148 -176.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.486 ' HA ' HD21 ' A' ' 26' ' ' LEU . 28.7 p-10 -95.83 -178.15 4.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.985 178.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.0 m -66.72 -18.38 65.34 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.7 m -80.66 -26.15 37.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.873 0.368 . . . . 0.0 110.506 177.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.16 11.61 84.75 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.512 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -96.68 16.04 20.13 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -174.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 27.0 t 67.18 103.87 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 O-C-N 123.693 0.62 . . . . 0.0 111.241 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.8 p -79.07 -31.26 14.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.989 0.423 . . . . 0.0 109.879 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -166.1 146.4 6.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.947 176.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.401 ' HD3' HH11 ' A' ' 99' ' ' ARG . 35.4 ttt180 -125.09 117.81 24.76 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.585 HD21 HD21 ' A' ' 87' ' ' LEU . 57.0 tp -99.22 110.09 22.68 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.088 0.47 . . . . 0.0 110.745 -177.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 46.6 t -94.66 104.71 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.751 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 119.51 151.84 8.95 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -176.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -138.14 114.67 10.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.135 0.467 . . . . 0.0 111.596 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -99.8 -175.41 2.96 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.706 177.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.467 ' OD2' ' HD2' ' A' ' 107' ' ' PRO . 7.3 p-10 -72.12 170.31 14.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.69 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.55 ' HB1' ' HD3' ' A' ' 107' ' ' PRO . . . -45.11 -54.57 13.48 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -171.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.55 ' HD3' ' HB1' ' A' ' 106' ' ' ALA . 33.6 Cg_exo -58.8 -53.82 3.43 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.73 1.62 . . . . 0.0 112.982 -174.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -76.02 -23.09 55.16 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.494 ' O ' HG22 ' A' ' 113' ' ' VAL . 24.6 tp -66.04 -51.92 53.81 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.2 tp -59.18 -33.16 70.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.307 177.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -58.88 -48.78 80.18 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.509 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -70.15 -37.73 75.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.25 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.515 ' O ' HG21 ' A' ' 117' ' ' VAL . 70.4 t -61.47 -53.08 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.646 0.26 . . . . 0.0 111.019 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' 118' ' ' GLU . 27.4 mtpp -66.21 -54.73 21.67 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -176.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 89.5 mt -73.37 -14.2 61.23 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -175.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -82.78 -31.25 30.07 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.548 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.515 HG21 ' O ' ' A' ' 113' ' ' VAL . 69.7 t -79.05 -30.61 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 111.042 -178.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 114' ' ' LYS . 7.1 pt-20 -100.86 115.5 30.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.877 0.37 . . . . 0.0 111.166 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.2 t 74.83 111.48 0.07 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.121 177.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -92.19 -5.33 52.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.985 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.801 0 CA-C-O 118.78 -1.011 . . . . 0.0 111.394 -179.731 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.724 0 CA-C-O 120.961 0.201 . . . . 0.0 112.912 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.509 HG12 ' HA ' ' A' ' 53' ' ' ALA . 45.8 mt -63.17 126.11 20.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.231 -0.485 . . . . 0.0 110.966 -178.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -130.51 111.34 12.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 176.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -80.34 138.14 36.67 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.446 -176.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -86.21 163.08 17.99 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 175.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -126.8 111.61 14.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.914 0.388 . . . . 0.0 111.225 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.411 HD12 HD13 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -143.19 164.96 28.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.399 175.187 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.442 ' HB2' ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -70.54 166.13 21.21 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -174.929 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.664 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 17.5 t80 -53.34 -54.18 48.01 Favored Pre-proline 0 CA--C 1.543 0.705 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.107 -175.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.664 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 32.3 Cg_exo -58.8 -42.81 49.35 Favored 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 121.912 1.741 . . . . 0.0 112.19 178.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -62.87 -35.98 81.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.096 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.69 -54.57 40.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.278 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.79 -43.97 97.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.279 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -61.85 -44.2 97.31 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.291 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.569 ' HA ' HG12 ' A' ' 22' ' ' VAL . 22.1 tpt180 -68.32 -38.41 81.54 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.117 -177.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.627 ' HA ' HG21 ' A' ' 61' ' ' VAL . . . -57.27 -48.25 79.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.373 . . . . 0.0 110.368 176.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -63.93 -44.0 94.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.612 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.569 HG12 ' HA ' ' A' ' 19' ' ' ARG . 12.5 p -78.52 -35.52 19.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -174.061 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -78.62 -37.43 42.24 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 122.102 -0.374 . . . . 0.0 111.054 -176.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -174.02 -79.71 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.689 0 CA-C-O 121.335 0.588 . . . . 0.0 110.956 175.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.902 ' HG2' ' HG ' ' A' ' 26' ' ' LEU . 38.5 ttmt 176.51 151.03 0.15 Allowed 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.365 -173.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.902 ' HG ' ' HG2' ' A' ' 25' ' ' LYS . 89.0 mt 72.52 142.05 0.06 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.848 0.832 . . . . 0.0 112.241 170.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.676 ' HB3' HG23 ' A' ' 90' ' ' ILE . 21.5 tp -123.24 122.27 37.97 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.026 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -96.92 101.1 12.62 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 176.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.731 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 41.5 t -93.12 105.88 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.184 -173.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -85.52 103.05 14.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.887 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 62.9 m -99.55 119.53 38.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.736 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -123.91 157.05 35.15 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.717 -177.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.647 HG22 ' H ' ' A' ' 35' ' ' TRP . 93.6 m -98.67 148.98 23.28 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.425 176.039 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 m -53.47 -21.19 5.75 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.443 0.64 . . . . 0.0 111.4 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.647 ' H ' HG22 ' A' ' 33' ' ' THR . 55.0 t-105 -54.02 -33.67 57.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.097 -0.956 . . . . 0.0 112.109 178.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 35' ' ' TRP . 41.1 t 69.7 -89.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.528 -173.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.443 ' O ' ' HG2' ' A' ' 40' ' ' LYS . . . 54.37 -115.51 5.34 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.449 -0.405 . . . . 0.0 113.302 176.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' HA3' ' A' ' 37' ' ' GLY . 53.2 Cg_exo -54.96 -24.68 40.54 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.622 2.881 . . . . 0.0 113.641 -177.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.1 t -52.69 -41.97 64.37 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.863 0.364 . . . . 0.0 111.342 -178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.469 ' HB2' ' HE3' ' A' ' 40' ' ' LYS . 17.3 ptmt -79.0 -23.24 44.53 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.384 -178.047 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 41' ' ' ARG . 11.4 ttm180 -64.68 -49.38 71.18 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.6 mp -62.32 -37.95 87.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.856 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.594 ' O ' ' HB2' ' A' ' 47' ' ' PHE . 7.6 t -62.39 -29.29 70.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.571 177.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -73.26 -56.54 4.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.432 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.0 t -89.59 -52.5 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -171.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.449 HG22 ' HB2' ' A' ' 106' ' ' ALA . 41.3 t -71.25 -37.22 65.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.876 0.37 . . . . 0.0 111.275 -173.174 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.594 ' HB2' ' O ' ' A' ' 43' ' ' SER . 4.6 m-30 -80.68 32.5 0.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.296 -177.079 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -127.63 -16.83 4.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.02 0.438 . . . . 0.0 110.145 174.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -88.71 121.98 31.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.496 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 m -69.41 -37.38 77.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.735 -177.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.2 tt -68.82 -50.95 45.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.575 0.226 . . . . 0.0 110.56 -175.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.2 t -61.61 -40.15 85.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.086 0.469 . . . . 0.0 110.306 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.509 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -64.42 -47.42 79.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.024 177.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -58.91 -45.49 90.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.197 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -58.28 -43.88 88.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.432 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -69.56 -52.27 27.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.184 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -66.15 -30.78 71.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 112.099 -173.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -89.03 -44.03 10.68 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.966 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -83.22 -9.78 58.95 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -173.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -140.6 169.74 17.08 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.627 HG21 ' HA ' ' A' ' 20' ' ' ALA . 89.4 t -104.89 121.25 56.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 169.636 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -85.94 142.44 28.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.151 0.5 . . . . 0.0 111.691 -171.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.411 HD13 HD12 ' A' ' 11' ' ' LEU . 39.0 tp -150.1 126.09 10.54 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.642 179.295 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -91.23 116.43 28.81 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 171.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.8 tpt -102.86 132.66 48.9 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 120.919 0.39 . . . . 0.0 110.545 -175.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.441 ' HB3' ' O ' ' A' ' 69' ' ' LYS . 0.8 OUTLIER -73.28 157.03 37.84 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.182 178.715 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 73.6 mmm -128.27 -5.91 5.41 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.077 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -115.94 -32.83 5.29 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.55 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 66' ' ' ASP . 60.7 mttm -121.26 176.86 5.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.623 175.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 60.47 48.94 83.68 Favored Glycine 0 CA--C 1.518 0.263 0 CA-C-N 115.91 -0.586 . . . . 0.0 114.042 171.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 64.5 19.07 11.68 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 122.714 0.406 . . . . 0.0 111.516 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.44 -31.79 71.2 Favored Glycine 0 C--N 1.331 0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.883 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.7 m -54.76 -35.71 34.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -69.6 -47.47 63.41 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.178 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.7 mt -66.81 -35.45 80.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.065 0.46 . . . . 0.0 110.115 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.404 ' HG3' HG11 ' A' ' 81' ' ' VAL . 61.4 ttp180 -58.9 -49.32 78.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.862 178.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -76.99 -37.78 54.46 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.226 -175.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -80.45 -34.05 36.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.109 -172.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.647 ' HD2' ' HD3' ' A' ' 99' ' ' ARG . 69.0 m-85 -97.51 1.93 49.6 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.71 0.291 . . . . 0.0 111.626 -177.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 63.55 76.51 0.27 Allowed Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.738 -0.664 . . . . 0.0 113.866 172.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.404 HG11 ' HG3' ' A' ' 76' ' ' ARG . 9.0 p -77.42 143.27 13.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -126.79 -32.13 2.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.737 0.303 . . . . 0.0 111.273 -178.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.21 -148.12 0.34 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.301 -179.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.667 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 24.5 m-85 -91.95 -53.73 0.27 Allowed Pre-proline 0 CA--C 1.539 0.522 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -172.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.667 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 29.2 Cg_endo -96.09 123.79 0.28 Allowed 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.827 2.351 . . . . 0.0 113.02 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.0 m -134.19 126.26 29.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.304 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.69 HD12 HD23 ' A' ' 100' ' ' LEU . 90.7 mt -107.49 124.43 49.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.995 0.426 . . . . 0.0 110.661 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.731 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 78.1 mt -109.86 120.43 42.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.783 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -97.54 106.67 19.03 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 175.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.676 HG23 ' HB3' ' A' ' 27' ' ' LEU . 16.8 tt -125.71 139.94 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-O 121.173 0.511 . . . . 0.0 111.134 -172.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -77.89 168.1 20.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.019 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.4 m -67.5 -19.05 65.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.105 0.478 . . . . 0.0 110.699 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.5 m -72.05 -14.64 61.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.953 177.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 92.62 19.16 38.66 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.851 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -114.35 137.39 51.87 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.562 ' HA ' ' HA ' ' A' ' 90' ' ' ILE . 26.9 m -86.91 144.6 8.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.97 0.414 . . . . 0.0 110.356 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 34.7 m -97.71 -23.56 4.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.232 177.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -165.14 136.25 4.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.152 -177.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.647 ' HD3' ' HD2' ' A' ' 79' ' ' TYR . 52.0 mtm180 -108.78 114.18 27.75 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.89 174.242 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.69 HD23 HD12 ' A' ' 87' ' ' LEU . 53.9 tp -91.82 107.03 18.92 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.138 0.494 . . . . 0.0 109.916 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 59.1 t -97.46 103.45 14.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.13 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.8 173.49 17.36 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.655 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -134.92 132.03 37.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.031 0.444 . . . . 0.0 110.275 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -119.89 -178.52 3.66 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.79 157.64 34.29 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.104 -0.239 . . . . 0.0 110.473 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.449 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -43.89 -56.26 7.77 Favored Pre-proline 0 N--CA 1.474 0.725 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -171.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.04 -39.45 80.2 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 121.982 1.788 . . . . 0.0 112.273 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -69.7 -39.56 76.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.344 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.52 ' O ' HG23 ' A' ' 113' ' ' VAL . 0.8 OUTLIER -62.52 -50.37 71.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.765 179.643 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.1 tp -58.41 -37.4 75.28 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.222 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -64.31 -48.1 76.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.489 178.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -60.62 -34.48 74.31 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.248 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 109' ' ' LEU . 82.8 t -60.41 -50.69 79.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.622 177.006 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -65.25 -45.38 84.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.218 -178.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.66 -25.82 68.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.302 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -79.02 -40.95 15.13 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.588 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 48.6 t -80.61 -40.57 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.078 0.466 . . . . 0.0 110.639 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.873 -179.713 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.618 0 CA-C-O 120.953 0.196 . . . . 0.0 113.158 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.599 HG12 ' HA ' ' A' ' 47' ' ' PHE . 20.4 mm -86.48 138.64 18.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.675 0.274 . . . . 0.0 110.339 -178.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -116.41 109.79 17.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.072 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.809 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 46.7 m-85 -100.83 146.39 27.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.14 0.495 . . . . 0.0 111.496 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.447 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -108.94 147.29 32.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.335 173.867 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -121.12 94.98 4.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.994 0.426 . . . . 0.0 111.021 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.402 ' H ' HD11 ' A' ' 63' ' ' LEU . 3.4 mm? -126.61 167.46 15.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.357 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.8 m -75.82 159.64 30.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.988 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.606 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 91.3 t80 -52.13 -53.05 56.41 Favored Pre-proline 0 CA--C 1.539 0.529 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.606 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 71.6 Cg_exo -48.48 -49.88 13.55 Favored 'Trans proline' 0 C--N 1.358 1.068 0 C-N-CA 122.203 1.936 . . . . 0.0 112.806 176.305 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -61.24 -46.9 88.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.377 178.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.5 -42.89 79.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.795 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.481 ' HA ' HD21 ' A' ' 27' ' ' LEU . 39.0 tp -67.92 -53.31 27.42 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.536 0.684 . . . . 0.0 110.207 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -56.84 -49.51 75.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.638 -1.165 . . . . 0.0 111.648 -177.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -65.63 -39.77 91.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.755 -177.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.41 -33.76 76.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.672 0.272 . . . . 0.0 111.017 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.07 -40.69 82.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.661 0.267 . . . . 0.0 110.788 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.678 HG23 ' HG3' ' A' ' 23' ' ' GLU . 30.4 m -86.17 -34.71 8.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -175.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.678 ' HG3' HG23 ' A' ' 22' ' ' VAL . 45.7 mt-10 -108.51 -36.97 6.07 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -173.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.518 ' CG ' ' H ' ' A' ' 25' ' ' LYS . 10.3 t70 -118.2 -148.44 0.42 Allowed 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.201 -0.6 . . . . 0.0 112.532 -164.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.518 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 43.9 tttm -126.53 -51.57 1.49 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.687 -165.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 50.1 mt -148.95 157.45 43.43 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.522 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.481 HD21 ' HA ' ' A' ' 17' ' ' LEU . 8.6 mp -87.26 111.17 20.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.234 176.044 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.476 ' HB3' ' O ' ' A' ' 61' ' ' VAL . 82.8 t80 -110.06 114.78 28.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 178.083 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.822 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 98.4 t -107.36 121.19 59.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.864 0.364 . . . . 0.0 111.133 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -87.83 108.97 19.41 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.026 173.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.498 ' SG ' ' HG2' ' A' ' 67' ' ' MET . 51.5 t -115.04 113.77 24.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.145 -178.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.493 ' CE1' ' HE3' ' A' ' 64' ' ' LYS . 21.4 p90 -123.68 159.85 28.46 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.312 -0.403 . . . . 0.0 109.917 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 m -99.3 155.1 17.68 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.8 m -62.12 -16.57 53.42 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -174.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -60.68 132.98 55.59 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.954 0.407 . . . . 0.0 111.19 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.9 m -80.61 107.37 13.36 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.712 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.44 ' HA3' ' HD2' ' A' ' 38' ' ' PRO . . . -154.26 -123.46 0.89 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.419 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.554 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 9.5 Cg_endo -52.32 -36.88 70.05 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.403 2.735 . . . . 0.0 112.633 -178.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.6 p -54.24 -37.25 64.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.585 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -74.01 -37.23 64.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.773 -177.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -70.94 -40.31 72.1 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 38' ' ' PRO . 94.3 mt -56.6 -42.67 79.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.964 176.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' ' 47' ' ' PHE . 50.1 m -59.55 -28.61 67.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.667 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -84.7 -47.71 10.18 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -177.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.554 HG13 HG23 ' A' ' 46' ' ' VAL . 7.4 p -95.64 -53.15 8.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.127 0.489 . . . . 0.0 112.103 -174.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.554 HG23 HG13 ' A' ' 45' ' ' VAL . 58.0 t -67.47 -42.38 87.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.194 -177.096 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.599 ' HA ' HG12 ' A' ' 6' ' ' ILE . 3.6 m-85 -81.58 29.26 0.38 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.175 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -134.73 -28.82 1.2 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 176.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -72.85 130.98 41.66 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.374 -176.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.7 m -69.81 -40.31 76.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.486 -177.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.94 -51.27 68.79 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.817 0.342 . . . . 0.0 110.666 -177.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.534 HG11 HG13 ' A' ' 46' ' ' VAL . 93.7 t -60.07 -45.79 95.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.908 178.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.479 ' HA ' HD13 ' A' ' 6' ' ' ILE . . . -60.03 -51.17 70.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.471 -178.165 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -63.99 -39.02 93.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.75 -176.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -61.84 -58.68 7.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.907 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -61.7 -46.24 90.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.79 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -71.05 -49.01 49.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -172.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -79.47 -24.3 42.47 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -170.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -95.55 -25.23 16.27 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 89.7 m-85 -142.9 163.68 32.14 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 121.18 -0.208 . . . . 0.0 111.074 -177.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.476 ' O ' ' HB3' ' A' ' 28' ' ' PHE . 85.4 t -78.78 118.16 25.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.506 176.085 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.513 ' HB3' ' CD1' ' A' ' 8' ' ' PHE . 3.1 m-20 -88.89 94.94 10.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.157 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.717 HD23 HG22 ' A' ' 29' ' ' VAL . 52.9 tp -96.9 125.93 41.68 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.965 0.412 . . . . 0.0 110.18 -178.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.809 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 48.2 tptt -100.62 122.03 42.6 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.7 mtt -132.39 158.09 42.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.543 0.687 . . . . 0.0 111.824 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.87 156.26 17.63 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.143 175.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.498 ' HG2' ' SG ' ' A' ' 31' ' ' CYS . 66.1 mtp -78.42 -19.4 53.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.945 0.402 . . . . 0.0 110.388 -179.229 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 45.1 mt-10 -141.83 132.88 26.1 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 176.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 68' ' ' GLU . 10.4 mtmp? 76.56 111.85 0.07 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.406 1.066 . . . . 0.0 110.356 -170.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.17 46.27 1.37 Allowed Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.916 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 66.11 14.07 9.44 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.329 0.652 . . . . 0.0 111.56 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.44 -35.91 59.5 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.503 -177.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.3 p -60.71 -36.69 72.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 120.69 0.281 . . . . 0.0 110.955 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.545 ' O ' ' HB2' ' A' ' 78' ' ' LYS . 0.3 OUTLIER -66.67 -49.99 64.38 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.799 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.9 mt -60.02 -38.14 81.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.56 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -61.14 -50.03 74.86 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.863 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HE3' ' HB2' ' A' ' 77' ' ' LYS . 3.6 tppp? -72.07 -28.16 63.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.505 0.669 . . . . 0.0 110.151 -178.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.545 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 28.8 tttp -65.92 -49.31 68.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.602 -175.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.401 ' CE1' HG11 ' A' ' 96' ' ' VAL . 18.8 m-85 -105.22 -27.68 11.41 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -173.219 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.85 51.32 15.5 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.483 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.7 m -77.56 156.84 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.51 0.195 . . . . 0.0 110.996 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -143.01 18.3 1.95 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.822 0.344 . . . . 0.0 111.651 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.09 -178.21 3.58 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.879 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 95.2 m-85 -92.53 -58.19 0.23 Allowed Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.607 176.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.879 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 38.2 Cg_endo -98.45 119.89 0.13 Allowed 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 122.621 2.214 . . . . 0.0 112.129 175.138 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.2 m -128.48 139.86 52.12 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.761 0.315 . . . . 0.0 111.005 -177.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.529 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 72.8 mt -108.86 113.07 25.69 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.822 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 87.6 mt -98.94 120.33 39.21 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.501 -177.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -110.66 127.67 55.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.558 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.407 ' HB ' ' HB2' ' A' ' 27' ' ' LEU . 66.7 mt -131.58 136.41 57.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 177.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -95.44 178.53 5.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.494 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.3 m -63.14 -19.01 64.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.288 -173.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.0 m -74.96 -11.34 60.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.671 0.272 . . . . 0.0 111.129 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 86.16 22.65 47.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.422 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -127.43 154.58 44.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.887 0.375 . . . . 0.0 110.833 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.401 HG11 ' CE1' ' A' ' 79' ' ' TYR . 6.3 p -91.7 127.83 43.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.799 174.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 47.5 t -92.95 -48.04 13.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.093 0.473 . . . . 0.0 110.073 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.425 ' HE2' HD23 ' A' ' 100' ' ' LEU . 91.7 t80 -134.73 136.19 42.49 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.837 -178.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -102.1 124.72 48.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.021 177.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 2.8 tm? -104.22 107.56 18.53 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.407 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 19.1 m -103.21 136.0 38.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.666 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.41 119.05 0.94 Allowed Glycine 0 N--CA 1.443 -0.891 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.281 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.5 ' H ' ' HG2' ' A' ' 85' ' ' PRO . . . -101.43 146.47 27.58 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.334 -0.433 . . . . 0.0 110.176 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.446 ' HG3' ' HG3' ' A' ' 108' ' ' GLU . 26.3 mm-40 -117.83 -174.71 2.69 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.28 -178.33 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.27 158.58 13.92 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 170.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.616 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -44.26 -57.19 6.7 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -171.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.616 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 25.2 Cg_exo -63.44 -40.16 32.8 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.658 1.572 . . . . 0.0 112.851 -177.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.446 ' HG3' ' HG3' ' A' ' 104' ' ' GLU . 45.2 tp10 -70.46 -38.81 74.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.523 -177.233 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 103' ' ' ALA . 37.0 tp -64.36 -45.77 86.31 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 120.987 0.422 . . . . 0.0 110.001 177.508 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 69.6 mt -52.49 -38.73 60.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.343 176.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.567 ' HG2' ' O ' ' A' ' 107' ' ' PRO . 34.7 mmtp -61.5 -48.33 81.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.411 177.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.515 ' HB3' HD21 ' A' ' 100' ' ' LEU . 54.9 mtpt -64.67 -40.12 94.86 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.321 -178.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 109' ' ' LEU . 89.4 t -67.18 -47.58 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.674 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -63.79 -38.95 93.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.573 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 115' ' ' LEU . 2.7 tm? -77.6 -22.64 50.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.486 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -86.24 -38.15 8.61 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.42 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.1 t -82.44 -47.7 18.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.825 0.312 . . . . 0.0 110.92 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.424 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.052 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.3 mt -85.85 121.43 37.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.923 0.392 . . . . 0.0 110.363 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.52 90.87 4.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.057 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -83.92 126.95 33.49 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.235 174.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.431 ' O ' HD12 ' A' ' 63' ' ' LEU . 53.6 mtp180 -92.98 160.33 14.93 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 177.144 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -125.44 93.87 3.98 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 176.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.8 mt -125.63 161.51 27.06 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.421 -175.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.5 m -69.88 162.81 27.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.748 176.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.657 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 57.5 t80 -57.84 -52.77 71.98 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.062 -177.083 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.657 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 31.8 Cg_exo -55.51 -45.74 37.39 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 121.934 1.756 . . . . 0.0 112.225 175.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.27 -54.22 49.29 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.878 -177.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.08 -49.24 78.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.652 -176.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.502 ' CD2' ' HG ' ' A' ' 27' ' ' LEU . 41.4 mt -61.37 -53.59 54.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.212 -177.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -65.27 -42.27 93.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.727 -173.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -60.89 -39.53 89.6 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-O 120.992 0.425 . . . . 0.0 110.053 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.95 ' HA ' ' HB2' ' A' ' 24' ' ' ASP . . . -69.37 -42.19 75.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.638 178.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -58.98 -35.4 73.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.257 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.6 t -88.04 -54.95 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -105.11 -33.79 8.16 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -171.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.95 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 23.4 m-20 -100.38 -156.97 0.58 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.821 -171.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -120.19 -90.45 0.58 Allowed 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.553 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.9 mt -103.9 162.27 13.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.99 0.424 . . . . 0.0 111.711 -172.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.559 ' HB2' ' HB ' ' A' ' 90' ' ' ILE . 3.5 mm? -97.36 123.7 41.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.688 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -113.67 106.55 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 174.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.857 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 21.9 t -100.88 112.03 32.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.479 -176.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -93.94 100.66 12.78 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.425 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.5 m -106.67 113.39 26.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.455 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -125.27 158.76 33.32 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.122 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.6 p -99.37 157.98 16.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.384 0.611 . . . . 0.0 111.127 177.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.2 p -90.5 16.56 8.71 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.283 -0.872 . . . . 0.0 110.449 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -55.55 -68.67 0.18 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.977 -1.01 . . . . 0.0 112.271 -172.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.7 p -121.89 -73.44 0.65 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.679 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.665 ' H ' ' HD3' ' A' ' 38' ' ' PRO . . . 171.67 49.64 0.04 OUTLIER Glycine 0 CA--C 1.523 0.567 0 C-N-CA 120.728 -0.748 . . . . 0.0 113.922 174.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.665 ' HD3' ' H ' ' A' ' 37' ' ' GLY . 23.8 Cg_exo -64.73 -34.43 50.56 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.105 1.87 . . . . 0.0 111.804 176.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.5 t -65.65 -31.95 73.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.155 0.502 . . . . 0.0 109.886 177.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -72.73 -31.31 64.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.057 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -61.18 -48.93 79.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.169 173.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.3 mt -66.36 -21.22 66.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.76 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.586 ' HA ' ' HB2' ' A' ' 47' ' ' PHE . 37.2 t -65.51 -28.84 69.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.176 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.519 ' HG3' HG23 ' A' ' 45' ' ' VAL . 27.3 tptp -58.81 -66.47 0.49 Allowed 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.927 0.344 . . . . 0.0 111.927 -177.11 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.519 HG23 ' HG3' ' A' ' 44' ' ' LYS . 58.5 t -108.21 -50.29 7.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.645 0.26 . . . . 0.0 111.314 -176.199 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.5 t -55.2 -50.62 62.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.517 -172.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.586 ' HB2' ' HA ' ' A' ' 43' ' ' SER . 20.4 m-30 -85.52 17.58 3.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.76 -176.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -130.82 -0.51 4.26 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -86.32 122.21 29.97 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.3 m -70.13 -42.71 72.23 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -177.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.6 tp -65.78 -47.59 74.65 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.814 0.34 . . . . 0.0 111.147 -175.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.4 t -66.77 -35.43 74.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.693 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.12 -44.9 94.54 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 178.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -58.82 -43.05 90.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.406 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -61.36 -45.84 92.72 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.487 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -65.95 -47.01 76.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.409 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -61.22 -31.09 70.87 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.204 0.526 . . . . 0.0 111.196 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -76.62 -41.97 44.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.172 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -85.84 -41.73 14.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -174.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -132.06 174.95 9.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.051 0.453 . . . . 0.0 110.691 -173.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 22.1 m -95.05 125.07 47.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 166.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -85.23 98.81 10.71 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.154 0.502 . . . . 0.0 110.532 -177.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 9' ' ' ARG . 44.0 tp -116.82 125.46 51.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.577 -177.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -94.29 131.97 39.36 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 174.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.0 tpt -133.1 116.02 15.8 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.831 0.348 . . . . 0.0 110.413 -178.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -70.55 141.1 51.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.121 0.486 . . . . 0.0 110.002 176.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.7 ttp -94.55 6.09 49.87 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.979 -172.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -120.86 8.14 10.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.686 176.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -124.85 150.93 45.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.151 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 57.84 -128.85 48.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.645 178.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 0.9 OUTLIER -92.86 9.9 33.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.896 0.379 . . . . 0.0 110.255 176.521 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.474 ' HA2' HD12 ' A' ' 75' ' ' LEU . . . -61.39 -33.52 84.9 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.338 178.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.425 ' O ' ' HB3' ' A' ' 76' ' ' ARG . 7.8 p -65.89 -36.82 78.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.261 0.553 . . . . 0.0 109.809 176.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 23.4 mm-40 -65.84 -43.65 87.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.822 175.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.505 HD23 ' HD2' ' A' ' 78' ' ' LYS . 75.3 mt -57.63 -36.12 71.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.412 176.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' A' ' 73' ' ' VAL . 14.3 ttm180 -57.85 -42.82 85.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.251 177.115 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -76.55 -28.58 56.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.056 177.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.505 ' HD2' HD23 ' A' ' 75' ' ' LEU . 68.0 mttm -74.72 -48.67 24.56 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -175.342 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -100.88 0.6 38.79 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -171.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.08 70.51 0.95 Allowed Glycine 0 C--N 1.33 0.24 0 O-C-N 123.418 0.449 . . . . 0.0 113.178 174.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.5 p -60.39 137.7 22.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.109 0.48 . . . . 0.0 110.797 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -122.01 -48.41 2.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.56 178.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.13 -159.39 0.6 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.313 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.852 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 44.7 m-85 -91.62 -54.27 0.27 Allowed Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.773 -0.194 . . . . 0.0 110.561 178.212 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.852 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 4.1 Cg_endo -89.88 140.42 3.46 Favored 'Trans proline' 0 N--CA 1.451 -0.989 0 C-N-CA 122.239 1.959 . . . . 0.0 111.652 173.11 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 47.2 m -133.77 110.38 9.76 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.995 0.426 . . . . 0.0 110.359 177.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.551 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 6.9 mp -83.9 122.04 28.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.656 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.857 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 79.7 mt -114.42 135.66 53.85 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -178.107 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.473 ' CZ ' HG23 ' A' ' 113' ' ' VAL . 53.2 m-85 -121.25 109.35 14.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.052 -177.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.559 ' HB ' ' HB2' ' A' ' 27' ' ' LEU . 68.8 mt -108.66 131.71 58.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.896 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -94.69 177.66 5.84 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 m -60.3 -30.0 69.2 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.002 0.43 . . . . 0.0 111.173 -177.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.2 t -81.82 -11.93 58.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.468 -176.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.64 25.4 62.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.311 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -99.91 150.67 22.16 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 44.0 t -78.17 101.4 3.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.95 0.405 . . . . 0.0 110.184 -178.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.2 t -77.33 -57.27 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.601 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -146.03 143.35 29.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.145 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.421 ' HD3' HH11 ' A' ' 99' ' ' ARG . 2.5 ptm180 -120.84 130.17 53.84 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 175.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.551 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 4.2 tt -129.36 110.88 12.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.817 0.342 . . . . 0.0 110.205 -174.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.6 m -103.9 120.62 54.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.123 0.487 . . . . 0.0 110.466 176.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.12 160.81 13.67 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.759 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -135.78 132.8 37.21 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.945 0.402 . . . . 0.0 110.653 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.596 ' HG2' ' HD2' ' A' ' 112' ' ' LYS . 69.4 mm-40 -94.45 -175.71 3.71 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.328 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.561 ' HB3' ' HD2' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -67.87 165.13 18.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.958 173.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.543 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -47.66 -52.24 39.49 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -177.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.561 ' HD2' ' HB3' ' A' ' 105' ' ' ASP . 33.0 Cg_exo -61.01 -45.73 18.61 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 121.775 1.65 . . . . 0.0 112.389 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.59 -26.32 60.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.64 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.401 ' O ' HG12 ' A' ' 113' ' ' VAL . 0.3 OUTLIER -55.79 -46.31 78.0 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.472 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.9 tp -66.84 -41.82 86.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.135 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -69.21 -41.38 77.15 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.474 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.596 ' HD2' ' HG2' ' A' ' 104' ' ' GLU . 28.9 tttp -63.32 -44.48 94.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.75 -176.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.473 HG23 ' CZ ' ' A' ' 89' ' ' PHE . 7.9 p -70.71 -38.63 73.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.633 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -64.73 -52.66 55.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.809 0.338 . . . . 0.0 110.592 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 43.7 tp -68.7 -26.56 65.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -76.62 -47.01 10.59 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.647 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 90.4 t -72.3 -35.66 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.62 0.248 . . . . 0.0 111.014 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 . . . . . 0 C--N 1.326 -0.434 0 CA-C-O 120.92 0.391 . . . . 0.0 110.755 178.331 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.972 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.552 HG12 ' HA ' ' A' ' 53' ' ' ALA . 49.5 mt -59.7 119.29 3.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.022 0.439 . . . . 0.0 111.342 -174.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.55 94.9 5.06 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.231 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -71.56 129.86 39.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.451 177.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 9' ' ' ARG . 16.6 mmm-85 -78.11 136.75 37.93 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.913 -176.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -101.73 96.17 6.91 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 172.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.6 mt -135.74 167.48 21.07 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.734 -175.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.402 ' HB3' ' CG ' ' A' ' 15' ' ' GLU . 28.1 t -79.29 163.5 24.87 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 174.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.513 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 50.9 t80 -54.63 -60.15 8.58 Favored Pre-proline 0 CA--C 1.544 0.714 0 O-C-N 123.265 0.353 . . . . 0.0 111.778 -176.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.513 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 34.3 Cg_endo -65.34 -36.59 34.73 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 121.845 1.697 . . . . 0.0 112.156 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.581 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 34.4 mm-40 -58.52 -54.67 44.43 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.069 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.21 89.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.4 -174.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.6 tp -58.24 -53.47 57.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.296 0.57 . . . . 0.0 110.382 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.475 ' HB2' ' NZ ' ' A' ' 18' ' ' LYS . 2.7 ttmp? -62.18 -39.93 94.33 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.546 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.581 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 24.6 mmt180 -58.81 -41.53 86.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.736 177.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.667 ' HA ' HG21 ' A' ' 61' ' ' VAL . . . -62.55 -44.54 96.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.232 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -56.27 -40.95 75.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.345 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 85.3 t -90.17 -50.72 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -83.63 -38.31 21.73 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -167.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.528 ' HB2' ' CG2' ' A' ' 61' ' ' VAL . 54.9 m-20 -140.23 -127.41 0.11 Allowed 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.299 -173.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.644 ' HG2' ' HG ' ' A' ' 26' ' ' LEU . 37.6 tttp -156.66 127.82 6.93 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.491 -174.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.644 ' HG ' ' HG2' ' A' ' 25' ' ' LYS . 96.9 mt 66.91 142.68 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.834 0.826 . . . . 0.0 112.221 174.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.523 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 35.7 tp -104.46 108.15 19.44 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.63 177.115 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.414 ' CZ ' HD22 ' A' ' 87' ' ' LEU . 64.2 t80 -90.56 101.56 14.3 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.74 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 47.9 t -95.7 116.84 38.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.805 -176.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -100.95 107.09 18.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.844 175.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.521 ' HB2' ' HB ' ' A' ' 86' ' ' THR . 80.4 m -94.78 114.08 25.92 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.357 176.233 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -119.34 154.87 32.89 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.187 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 51.9 p -98.35 171.87 7.91 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.8 m -70.81 -23.29 62.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.954 0.407 . . . . 0.0 110.354 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -69.22 122.41 18.78 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.184 175.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.2 p -99.04 121.85 41.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.178 0.514 . . . . 0.0 111.104 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.24 -87.25 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.521 177.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.438 ' HB2' ' HG3' ' A' ' 85' ' ' PRO . 48.7 Cg_exo -55.07 -40.71 84.46 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 123.18 2.587 . . . . 0.0 112.854 177.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 85' ' ' PRO . 56.8 m -70.34 -21.91 62.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.598 0.237 . . . . 0.0 110.916 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -70.45 -29.22 65.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.181 0.515 . . . . 0.0 109.947 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -60.12 -39.2 85.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.022 174.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.533 HD11 HD22 ' A' ' 109' ' ' LEU . 12.2 tp -67.68 -40.26 84.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.891 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.61 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 15.6 m -61.92 -38.98 90.45 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.207 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -56.17 -57.83 10.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.25 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.474 HG23 HG23 ' A' ' 46' ' ' VAL . 5.3 m -97.4 -45.41 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -172.16 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.474 HG23 HG23 ' A' ' 45' ' ' VAL . 36.1 t -72.5 -28.93 29.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.071 0.462 . . . . 0.0 111.323 -171.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.61 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 34.2 m-85 -95.55 21.35 8.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.861 0.363 . . . . 0.0 110.736 178.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -134.45 -44.16 0.76 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.047 -177.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.88 130.14 42.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.989 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.0 m -66.73 -45.61 78.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.078 -176.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.6 mt -70.74 -43.51 68.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.373 -174.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.8 t -61.79 -50.03 81.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.471 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.552 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -59.99 -39.91 87.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.408 ' O ' ' HG3' ' A' ' 58' ' ' ARG . 23.3 t70 -64.42 -48.18 76.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.182 -179.532 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -61.71 -51.73 67.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.35 -176.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -67.94 -30.72 70.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.865 -175.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -70.76 -34.35 71.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.75 0.31 . . . . 0.0 111.159 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 54' ' ' ASP . 58.2 mtt180 -83.12 -44.11 15.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.708 -178.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -88.16 -10.03 51.22 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -170.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.497 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 69.4 m-85 -142.6 146.3 34.41 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.667 HG21 ' HA ' ' A' ' 20' ' ' ALA . 89.0 t -91.47 110.1 22.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 168.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -86.23 116.08 24.19 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.661 -174.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 54.8 tp -113.7 126.25 55.03 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.472 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -103.79 133.38 48.87 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 176.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 53.2 ttm -147.25 140.83 25.56 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.95 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -75.55 156.25 35.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.711 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 79.8 mtp -98.99 -3.53 34.7 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 172.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 47.3 mt-10 -127.06 111.11 13.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.326 173.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 68' ' ' GLU . 97.6 mttt 73.4 160.99 0.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.3 1.0 . . . . 0.0 110.778 -173.442 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 78.56 28.57 54.97 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.885 -178.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 69.29 16.17 8.43 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.405 0.682 . . . . 0.0 111.352 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.82 -32.05 82.87 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.193 178.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.3 p -57.61 -35.5 50.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-O 120.696 0.284 . . . . 0.0 111.297 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -64.07 -51.65 63.05 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.037 0.446 . . . . 0.0 110.428 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.9 mp -71.24 -31.72 67.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.308 -176.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.666 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 37.3 ttt180 -59.22 -42.25 90.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.254 0.55 . . . . 0.0 110.291 177.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -77.17 -30.08 54.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.804 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -76.07 -49.68 16.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.979 -172.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -98.36 -16.64 19.23 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.992 -174.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.52 110.86 1.49 Allowed Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 176.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.666 ' HB ' ' HG3' ' A' ' 76' ' ' ARG . 8.4 p -71.83 134.32 30.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.149 0.5 . . . . 0.0 110.31 176.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 54.5 m80 -136.1 -70.35 0.47 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.972 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.36 -160.15 0.76 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.003 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.675 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 42.3 m-85 -90.86 -48.04 0.36 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.554 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.675 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 84.8 Cg_endo -89.28 143.35 4.64 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 121.871 1.714 . . . . 0.0 111.597 170.409 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.521 ' HB ' ' HB2' ' A' ' 31' ' ' CYS . 62.6 m -148.55 114.26 5.69 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.03 0.443 . . . . 0.0 110.608 177.197 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.648 HD12 HD23 ' A' ' 100' ' ' LEU . 82.0 mt -93.66 116.5 29.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.074 -178.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.74 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 81.9 mt -105.48 127.6 53.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.908 176.497 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -109.17 106.62 16.57 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.284 -177.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.523 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 45.4 mm -113.68 118.84 59.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.737 -175.6 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -93.23 -174.08 3.43 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 176.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.1 p -56.34 -27.56 56.21 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -177.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.8 m -66.25 -27.47 67.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.726 0.298 . . . . 0.0 111.764 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 91.02 -11.13 73.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.766 -176.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -88.29 167.83 13.22 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 18.3 m -93.22 124.31 45.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.057 0.456 . . . . 0.0 111.261 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.43 HG13 ' HD1' ' A' ' 98' ' ' TYR . 3.4 p -74.42 -43.31 49.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 174.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.531 ' OH ' ' HA ' ' A' ' 113' ' ' VAL . 18.3 p90 -161.72 165.07 28.62 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 172.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -125.15 140.64 52.69 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.648 HD23 HD12 ' A' ' 87' ' ' LEU . 48.0 tp -125.66 125.42 43.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.902 0.382 . . . . 0.0 110.819 -176.284 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 60.5 t -102.73 107.86 22.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.289 177.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.404 ' HA2' ' HG2' ' A' ' 85' ' ' PRO . . . 119.64 148.13 8.16 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.121 179.038 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -124.93 114.86 19.71 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -95.92 -175.53 3.44 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.676 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.83 166.31 9.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.326 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.558 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -52.13 -51.79 68.34 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -172.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.558 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 37.2 Cg_exo -58.21 -45.14 33.22 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.787 1.658 . . . . 0.0 112.534 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.521 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 11.0 mm-40 -69.39 -40.29 77.46 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 -179.468 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.533 HD22 HD11 ' A' ' 42' ' ' LEU . 47.7 tp -52.63 -55.62 21.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.465 178.13 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 54.8 tp -56.35 -39.89 73.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.099 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -65.37 -42.91 92.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.844 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 108' ' ' GLU . 13.7 mmmm -65.99 -27.56 68.23 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 120.626 0.25 . . . . 0.0 111.294 -177.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.531 ' HA ' ' OH ' ' A' ' 98' ' ' TYR . 76.2 t -71.13 -52.92 23.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.363 . . . . 0.0 110.45 177.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 118' ' ' GLU . 96.2 mttt -66.25 -44.94 82.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.438 -178.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 30.1 tp -67.33 -20.66 65.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.05 -177.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -89.66 -40.7 5.9 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.844 -0.693 . . . . 0.0 113.134 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 22.0 m -66.31 -35.85 75.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.91 0.355 . . . . 0.0 111.901 -176.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 114' ' ' LYS . 9.9 pt-20 . . . . . 0 N--CA 1.447 -0.597 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 175.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.587 0 CA-C-O 121.03 0.239 . . . . 0.0 113.457 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.1 mt -57.86 123.55 9.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.163 -0.519 . . . . 0.0 111.507 -177.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -113.17 114.39 26.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.454 177.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.687 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 83.9 m-85 -84.14 145.4 28.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.53 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -94.69 128.64 41.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.239 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -82.72 94.42 7.6 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 174.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 11' ' ' LEU . 12.6 tp -139.12 167.92 20.98 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.234 -175.132 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.8 p -83.23 168.8 16.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.093 0.473 . . . . 0.0 110.363 176.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.495 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 81.3 t80 -63.22 -53.44 53.88 Favored Pre-proline 0 C--N 1.317 -0.82 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.886 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 20.8 Cg_endo -61.16 -39.58 57.75 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.113 1.876 . . . . 0.0 112.592 -177.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.4 -54.71 32.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.353 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.54 -41.08 84.74 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.073 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.6 tp -58.03 -50.38 73.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.17 0.51 . . . . 0.0 110.528 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -56.85 -43.14 80.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.711 178.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -58.68 -49.01 79.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.491 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.414 ' HB1' ' O ' ' A' ' 25' ' ' LYS . . . -66.48 -30.98 71.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.728 0.299 . . . . 0.0 111.347 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -64.17 -46.7 82.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.125 0.488 . . . . 0.0 110.568 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.7 t -77.88 -39.26 25.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.327 -177.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.667 ' HG2' ' HE2' ' A' ' 25' ' ' LYS . 21.0 tt0 -85.31 -0.08 53.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.054 0.454 . . . . 0.0 110.778 -176.649 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.6 t70 61.49 52.17 3.82 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.989 170.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.667 ' HE2' ' HG2' ' A' ' 23' ' ' GLU . 56.2 mtmt -144.56 -178.65 6.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.898 179.389 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 91' ' ' ASN . 3.0 mm? -100.9 157.61 16.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.929 0.395 . . . . 0.0 111.142 -175.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.608 ' HB2' ' HB ' ' A' ' 90' ' ' ILE . 3.3 mm? -90.8 119.19 30.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.517 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.487 ' CZ ' HD22 ' A' ' 87' ' ' LEU . 76.9 t80 -105.79 101.41 10.92 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 171.079 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.592 ' HB ' ' HB3' ' A' ' 88' ' ' LEU . 27.6 t -97.26 111.66 27.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.515 -176.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -79.75 98.12 6.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.428 177.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.4 m -98.25 111.86 24.05 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -141.4 155.71 45.87 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.303 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -100.48 152.11 20.77 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.3 p -75.4 16.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -175.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.427 ' O ' ' HB3' ' A' ' 36' ' ' CYS . 49.6 t-105 -53.76 -34.22 58.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.542 177.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 35' ' ' TRP . 48.5 t 77.3 163.58 0.23 Allowed 'General case' 0 CA--C 1.53 0.2 0 O-C-N 124.038 0.836 . . . . 0.0 110.456 -177.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.64 -100.45 1.06 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.261 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.01 -45.05 43.84 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 123.378 2.719 . . . . 0.0 113.353 -177.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.7 p -64.97 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.085 0.469 . . . . 0.0 111.064 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -79.28 -39.74 32.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.363 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -61.55 -41.16 96.95 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.933 0.397 . . . . 0.0 110.393 175.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.7 tp -58.6 -37.04 74.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.128 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.654 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 49.9 m -69.37 -29.64 67.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.307 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -64.33 -37.75 88.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.533 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.63 HG13 HG23 ' A' ' 46' ' ' VAL . 7.4 p -107.39 -52.93 6.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -174.346 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.63 HG23 HG13 ' A' ' 45' ' ' VAL . 49.9 t -72.13 -38.53 63.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.537 -174.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.654 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 1.6 m-85 -84.65 39.08 0.72 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.135 0.493 . . . . 0.0 110.585 -177.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -133.82 -49.99 0.83 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.746 -178.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -63.18 126.35 27.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.531 -173.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.3 p -65.4 -40.03 92.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.675 -175.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 51' ' ' LEU . 4.3 mm? -70.62 -52.23 22.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.789 -0.187 . . . . 0.0 111.133 -178.162 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 88.2 t -59.76 -49.54 83.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.949 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.85 97.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.659 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -69.74 -50.72 40.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.757 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -58.92 -42.93 90.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.898 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -67.81 -49.64 61.16 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.074 -177.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -67.74 -30.65 70.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.897 -175.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -74.05 -51.04 17.05 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.147 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -74.49 -33.57 62.87 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -172.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -117.47 136.52 53.15 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.568 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.3 t -75.14 110.19 9.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.59 ' HB3' ' CD1' ' A' ' 8' ' ' PHE . 12.2 m120 -80.52 105.13 11.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.795 -175.188 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.442 HD23 HG22 ' A' ' 29' ' ' VAL . 64.7 tp -106.36 126.3 52.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.955 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.687 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 54.3 tttm -96.27 118.94 33.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.335 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 38.3 mtt -137.04 102.52 4.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.278 0.561 . . . . 0.0 111.292 177.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.31 140.37 58.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.473 -0.785 . . . . 0.0 108.921 174.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.432 ' SD ' HG11 ' A' ' 81' ' ' VAL . 45.8 mtm -77.14 1.46 18.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.309 0.576 . . . . 0.0 110.71 176.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -113.18 97.23 6.37 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 167.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.652 ' HG2' ' H ' ' A' ' 70' ' ' GLY . 17.0 ttmm 176.53 179.85 0.19 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 113.783 -1.553 . . . . 0.0 108.398 -168.493 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.652 ' H ' ' HG2' ' A' ' 69' ' ' LYS . . . -56.71 -69.06 1.39 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.172 -0.537 . . . . 0.0 112.45 177.164 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.566 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 2.3 mp0 -77.99 -10.75 59.75 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.884 -0.186 . . . . 0.0 111.117 178.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -58.18 -49.17 78.19 Favored Glycine 0 C--N 1.329 0.187 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.782 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.6 p -64.85 -32.71 59.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.686 0.279 . . . . 0.0 110.427 178.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.482 ' O ' ' HB2' ' A' ' 78' ' ' LYS . 43.1 tt0 -66.04 -50.59 63.63 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 81.9 mt -60.23 -40.53 90.52 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.285 0.366 . . . . 0.0 111.458 -177.273 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.453 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 53.0 ttt180 -61.05 -42.15 97.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.057 0.456 . . . . 0.0 110.613 -178.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -76.62 -35.71 57.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.559 0.695 . . . . 0.0 110.753 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 72.1 tttt -68.17 -49.23 62.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.681 -171.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.623 ' CE1' HG21 ' A' ' 96' ' ' VAL . 92.8 m-85 -101.37 13.37 35.24 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.775 -175.124 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.41 56.75 22.82 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.521 -0.763 . . . . 0.0 113.214 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.453 ' HB ' ' HG3' ' A' ' 76' ' ' ARG . 58.2 t -79.22 105.66 8.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.053 0.454 . . . . 0.0 110.798 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -109.33 22.89 15.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.302 0.572 . . . . 0.0 110.139 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -129.39 -172.53 2.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.618 176.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.765 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 59.1 m-85 -92.83 -52.32 0.27 Allowed Pre-proline 0 C--N 1.325 -0.463 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.188 177.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.765 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 71.7 Cg_endo -98.0 143.58 0.6 Allowed 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 122.388 2.058 . . . . 0.0 112.145 172.236 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 80.6 m -150.27 119.56 6.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.115 0.483 . . . . 0.0 110.657 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.666 HD12 HD23 ' A' ' 100' ' ' LEU . 47.6 mt -93.35 117.83 30.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.885 -178.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.592 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 34.1 tp -104.36 125.08 50.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -176.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.52 ' CE1' HG23 ' A' ' 113' ' ' VAL . 45.2 m-85 -107.41 113.7 27.22 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.282 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.773 HG12 HG22 ' A' ' 96' ' ' VAL . 65.9 mt -122.21 141.68 41.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.55 -176.111 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.511 ' HA ' HD12 ' A' ' 26' ' ' LEU . 18.1 p30 -92.46 168.84 11.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.522 176.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.6 m -61.91 -21.42 64.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.983 -176.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.7 p -79.99 0.34 32.0 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.872 0.368 . . . . 0.0 111.9 -177.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.26 -33.76 6.07 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.988 173.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -77.15 164.24 25.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.387 0.613 . . . . 0.0 111.968 -176.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.773 HG22 HG12 ' A' ' 90' ' ' ILE . 67.9 t -100.23 128.09 52.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.661 -177.014 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 30.0 m -88.9 -37.47 10.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.125 -178.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -163.12 155.45 18.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.114 -178.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -135.33 137.61 42.59 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 175.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.666 HD23 HD12 ' A' ' 87' ' ' LEU . 59.4 tp -106.79 109.48 21.4 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.27 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.0 p -85.57 102.78 11.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.617 0.723 . . . . 0.0 110.305 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 120.78 -166.11 13.93 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.515 -176.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -160.02 115.61 2.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.669 0.271 . . . . 0.0 110.626 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.685 ' HB3' ' HB2' ' A' ' 108' ' ' GLU . 0.8 OUTLIER -85.94 169.46 13.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.362 177.081 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -69.78 174.82 4.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.071 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.593 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -48.19 -54.47 24.82 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -170.037 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.593 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 24.3 Cg_exo -63.41 -47.51 7.55 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 121.834 1.69 . . . . 0.0 112.167 -178.531 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.685 ' HB2' ' HB3' ' A' ' 104' ' ' GLU . 44.0 mm-40 -68.29 -37.07 80.28 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.096 -176.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.409 ' HA ' HD22 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -60.71 -46.65 89.56 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -179.586 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 43.3 tp -62.46 -32.46 73.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.652 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -73.14 -42.02 63.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.452 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.513 ' HG2' ' O ' ' A' ' 108' ' ' GLU . 31.0 mmmt -64.89 -44.57 89.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.213 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.52 HG23 ' CE1' ' A' ' 89' ' ' PHE . 7.3 p -66.78 -41.52 88.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.029 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -66.55 -51.73 53.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.617 0.246 . . . . 0.0 111.053 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 89.3 mt -76.43 -12.89 60.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.539 -177.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.56 -36.82 47.93 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.372 173.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 61.0 t -84.29 -36.44 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.224 0.535 . . . . 0.0 109.983 176.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 . . . . . 0 C--N 1.327 -0.373 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.212 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.89 ' HA3' ' HB3' ' A' ' 47' ' ' PHE . . . . . . . . 0 N--CA 1.442 -0.928 0 N-CA-C 112.319 -0.312 . . . . 0.0 112.319 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.513 ' H ' ' HD2' ' A' ' 47' ' ' PHE . 80.8 mt -68.43 133.83 31.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.953 0.406 . . . . 0.0 111.6 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.92 115.96 28.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.805 172.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -72.63 159.07 34.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.12 0.486 . . . . 0.0 111.311 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 9' ' ' ARG . 15.1 mtm180 -118.54 115.0 23.68 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 174.323 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -81.54 111.45 17.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.529 0.68 . . . . 0.0 110.302 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.476 HD21 ' HB3' ' A' ' 15' ' ' GLU . 15.4 tp -145.72 165.48 28.65 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.361 -175.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.1 m -82.21 156.63 24.31 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.648 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 64.7 t80 -56.61 -56.51 31.56 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-O 119.032 -0.508 . . . . 0.0 112.248 -172.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.648 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 67.5 Cg_exo -50.13 -43.55 42.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 122.25 1.966 . . . . 0.0 113.122 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.476 ' HB3' HD21 ' A' ' 11' ' ' LEU . 37.9 mt-10 -65.18 -54.12 34.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.743 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.22 -32.83 72.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.251 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.527 HD11 ' HA ' ' A' ' 92' ' ' SER . 21.4 tp -61.72 -50.25 73.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.748 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -55.9 -42.2 75.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.711 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -62.97 -43.12 99.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.78 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.71 -51.44 68.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.546 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -60.62 -37.43 81.43 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -175.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.6 t -89.2 -51.29 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -173.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -99.46 -24.82 14.65 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -167.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -128.54 -145.04 0.29 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -176.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.529 ' HB3' HD12 ' A' ' 26' ' ' LEU . 51.8 mttp -125.66 -85.47 0.63 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' A' ' 25' ' ' LYS . 7.2 mp -102.73 162.92 12.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.01 0.434 . . . . 0.0 110.875 -177.378 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.31 117.85 35.79 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.243 -176.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -93.0 107.09 18.95 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 177.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.59 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 39.9 t -102.01 113.68 39.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.939 0.399 . . . . 0.0 111.382 -175.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -90.89 115.85 28.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.793 174.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 76.1 m -117.57 113.56 22.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.171 0.51 . . . . 0.0 110.342 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -133.39 154.86 50.4 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.782 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.411 HG23 ' H ' ' A' ' 35' ' ' TRP . 11.4 t -106.06 173.2 6.42 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.136 173.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 m -73.0 -3.13 24.14 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -174.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.461 ' HB2' ' CD1' ' A' ' 84' ' ' TYR . 80.3 m95 -80.1 103.98 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.7 m 61.5 -175.23 0.13 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.262 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.94 64.84 0.56 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.277 -0.963 . . . . 0.0 113.16 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.19 -41.19 53.34 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.489 2.126 . . . . 0.0 112.163 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.52 ' HA ' HD12 ' A' ' 42' ' ' LEU . 37.6 t -63.93 -30.96 72.0 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.91 0.386 . . . . 0.0 110.49 179.002 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -69.65 -28.97 66.34 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.182 0.515 . . . . 0.0 110.608 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -75.24 -31.12 60.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.255 0.55 . . . . 0.0 109.852 176.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 39' ' ' CYS . 95.4 mt -63.12 -33.19 74.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.349 175.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.638 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 14.0 m -61.36 -33.28 73.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.781 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -68.44 -56.39 8.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.179 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.518 HG23 HG23 ' A' ' 46' ' ' VAL . 7.3 m -84.36 -45.73 17.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -172.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.518 HG23 HG23 ' A' ' 45' ' ' VAL . 59.4 t -80.67 -49.12 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.891 0.377 . . . . 0.0 111.629 -173.333 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.89 ' HB3' ' HA3' ' A' ' 5' ' ' GLY . 11.5 m-85 -71.25 -5.27 30.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.953 -173.102 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -75.3 -26.49 58.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.692 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -73.94 128.59 35.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.812 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.9 p -69.53 -46.82 65.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.253 -175.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.17 -42.24 89.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.768 -176.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.3 t -66.29 -32.81 59.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.416 177.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.97 -51.75 51.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.572 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -59.07 -39.35 81.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.655 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -59.97 -57.7 11.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.356 -177.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 60' ' ' PHE . 32.1 m-85 -71.27 -39.57 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -177.12 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.419 ' HA ' ' OD1' ' A' ' 62' ' ' ASN . 4.0 t-20 -68.85 -41.41 78.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.56 -175.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.5 ttp85 -88.86 -36.97 15.69 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -172.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -88.91 -19.27 26.02 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.421 -174.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.492 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 79.7 m-85 -130.14 158.51 39.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.82 0.343 . . . . 0.0 110.664 -176.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 64.9 t -89.93 116.52 31.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.419 ' OD1' ' HA ' ' A' ' 57' ' ' ASN . 8.5 m120 -81.43 100.74 9.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.991 0.424 . . . . 0.0 110.352 -176.369 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.44 HD11 ' O ' ' A' ' 11' ' ' LEU . 45.4 tp -105.53 128.87 53.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.417 -178.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -116.79 120.07 37.39 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.403 ' CE ' ' H ' ' A' ' 71' ' ' GLU . 13.4 ttt -142.45 150.31 40.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.217 0.532 . . . . 0.0 111.097 -177.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -88.81 156.47 18.94 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.629 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 57.7 mtt -85.78 2.72 44.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.256 0.551 . . . . 0.0 110.573 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -113.34 -40.36 3.9 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.366 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -90.82 134.28 34.56 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.326 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.78 -116.85 5.52 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.479 -0.782 . . . . 0.0 113.696 169.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.403 ' H ' ' CE ' ' A' ' 65' ' ' MET . 33.9 mt-10 -94.32 4.27 54.09 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 122.584 0.354 . . . . 0.0 111.104 -174.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 76' ' ' ARG . . . -57.33 -45.5 92.76 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.668 -178.458 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.93 -32.77 58.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.897 0.38 . . . . 0.0 111.31 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -68.47 -52.21 34.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.2 -178.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.559 ' HA ' ' HB3' ' A' ' 78' ' ' LYS . 79.0 mt -66.04 -30.74 71.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.319 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 24.7 ttt180 -54.37 -51.06 65.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.477 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -77.02 -29.53 55.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.242 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.559 ' HB3' ' HA ' ' A' ' 75' ' ' LEU . 14.9 tppt? -59.12 -50.67 73.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.899 0.38 . . . . 0.0 111.175 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.593 ' HD1' ' HD3' ' A' ' 99' ' ' ARG . 87.5 m-85 -96.04 -3.97 43.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.935 -175.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 64.37 33.89 88.44 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.556 177.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.467 HG11 HG21 ' A' ' 86' ' ' THR . 20.4 m -85.52 135.59 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 CA-C-O 121.187 0.517 . . . . 0.0 111.274 -176.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -126.08 7.47 7.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.622 176.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.75 -179.6 7.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.755 -177.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.861 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 54.1 m-85 -96.21 -55.66 0.21 Allowed Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.337 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.861 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 11.1 Cg_endo -95.19 114.86 0.17 Allowed 'Trans proline' 0 N--CA 1.449 -1.121 0 C-N-CA 122.652 2.235 . . . . 0.0 112.128 172.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.467 HG21 HG11 ' A' ' 81' ' ' VAL . 41.7 m -124.6 119.52 29.28 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.069 0.461 . . . . 0.0 110.49 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.502 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 3.2 mm? -100.0 119.47 38.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.151 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.59 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 97.5 mt -110.69 129.67 55.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.741 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.61 ' HE2' HD23 ' A' ' 100' ' ' LEU . 27.5 m-85 -112.71 106.3 14.64 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.544 HD12 HG21 ' A' ' 29' ' ' VAL . 63.0 mt -117.69 142.39 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.767 -168.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -87.66 -174.3 4.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.891 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.527 ' HA ' HD11 ' A' ' 17' ' ' LEU . 5.4 p -71.38 -26.9 62.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 112.066 -176.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.556 ' HB3' ' HG2' ' A' ' 95' ' ' GLU . 43.4 t -75.79 -18.64 59.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.129 0.49 . . . . 0.0 110.937 177.694 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.417 ' HA2' ' HZ ' ' A' ' 13' ' ' PHE . . . 98.17 14.05 40.34 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.583 -0.817 . . . . 0.0 111.758 -175.219 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.556 ' HG2' ' HB3' ' A' ' 93' ' ' SER . 9.1 mm-40 -92.54 139.32 30.7 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.8 p -89.82 133.49 31.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.775 0.322 . . . . 0.0 110.157 177.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 30.3 m -82.83 -30.38 8.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.908 0.385 . . . . 0.0 110.894 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -166.98 143.81 4.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.461 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.593 ' HD3' ' HD1' ' A' ' 79' ' ' TYR . 73.1 mtm180 -106.25 121.55 44.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.901 -178.259 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.724 HD21 ' HB3' ' A' ' 112' ' ' LYS . 0.2 OUTLIER -97.02 132.34 42.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.022 179.566 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 37.7 t -118.11 114.8 46.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.03 -158.17 32.85 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.521 -0.847 . . . . 0.0 111.229 -176.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -158.83 144.93 16.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.02 0.438 . . . . 0.0 111.447 -178.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -116.39 -175.22 2.71 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.635 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -65.87 169.04 7.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.702 -0.227 . . . . 0.0 110.825 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.568 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -49.67 -52.16 53.31 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 -172.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.568 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 33.3 Cg_exo -62.84 -38.84 45.59 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 121.986 1.791 . . . . 0.0 112.307 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.44 -31.66 62.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.232 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.4 tp -60.81 -52.37 65.35 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.213 0.53 . . . . 0.0 109.686 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.9 tp -63.87 -36.69 84.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.16 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -59.11 -47.92 83.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.179 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.724 ' HB3' HD21 ' A' ' 100' ' ' LEU . 30.1 mmmt -61.75 -49.11 77.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.807 -178.518 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 5.9 p -68.54 -43.6 83.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.113 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -63.81 -39.9 95.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.678 -177.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 115' ' ' LEU . 1.7 tm? -77.5 -31.27 53.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.282 -178.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -64.77 -37.89 94.9 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.139 -0.553 . . . . 0.0 113.209 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 12.4 p -107.05 -12.34 10.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.309 0.575 . . . . 0.0 110.252 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.205 -176.729 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.682 0 N-CA-C 112.409 -0.277 . . . . 0.0 112.409 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.579 HG12 ' HA ' ' A' ' 53' ' ' ALA . 77.1 mt -59.38 122.26 9.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.934 0.397 . . . . 0.0 111.077 177.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -117.59 121.26 40.47 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.806 175.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -80.12 123.56 27.99 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.544 ' NH2' HG13 ' A' ' 61' ' ' VAL . 35.6 mtm-85 -87.17 147.14 25.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.549 -172.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.431 ' HG2' ' HD3' ' A' ' 64' ' ' LYS . 39.5 mt-10 -101.05 105.02 16.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.884 0.373 . . . . 0.0 110.952 -175.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.6 mt -129.44 160.62 32.57 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.026 177.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.8 m -74.4 157.7 35.2 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 176.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.735 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 46.6 t80 -54.26 -56.24 28.44 Favored Pre-proline 0 CA--C 1.544 0.712 0 CA-C-O 119.441 -0.314 . . . . 0.0 111.823 -175.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.735 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 31.7 Cg_exo -58.36 -44.79 35.2 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 121.91 1.74 . . . . 0.0 112.512 174.267 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -58.11 -51.28 70.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.918 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.82 95.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.104 -176.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.497 HD11 ' HA ' ' A' ' 92' ' ' SER . 42.9 tp -59.84 -51.8 68.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.274 0.559 . . . . 0.0 110.166 178.128 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -58.6 -44.36 89.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.848 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.9 tpp85 -61.89 -49.01 77.91 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.163 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.512 ' HA ' HG21 ' A' ' 61' ' ' VAL . . . -60.48 -40.32 90.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 177.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -63.53 -38.42 91.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.56 -176.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.8 m -89.65 -40.73 13.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -172.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -100.79 -38.22 8.37 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.135 -0.626 . . . . 0.0 112.327 -173.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -117.97 -138.07 0.35 Allowed 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.443 -171.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -116.15 -66.35 1.09 Allowed 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.162 -168.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 tt -143.47 161.04 39.46 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.846 -171.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.2 tp -87.64 105.27 17.24 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.86 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.414 ' CZ ' HD22 ' A' ' 87' ' ' LEU . 66.0 t80 -104.42 114.99 29.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.079 0.466 . . . . 0.0 109.829 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.577 HG22 HD23 ' A' ' 63' ' ' LEU . 38.6 t -108.28 132.56 55.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.974 -175.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -109.56 120.15 41.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.005 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.588 ' HB2' ' HB ' ' A' ' 86' ' ' THR . 74.5 m -117.38 113.68 22.45 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 177.039 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.416 ' O ' ' HG2' ' A' ' 67' ' ' MET . 42.3 p90 -103.5 147.55 27.02 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.504 -179.042 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.7 m -99.25 146.17 26.49 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 175.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.29 -9.35 1.48 Allowed 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -171.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -62.95 -44.55 95.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.709 0.29 . . . . 0.0 111.166 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.8 m 57.73 28.55 16.02 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.689 177.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.91 -71.62 0.87 Allowed Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.446 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.495 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 47.1 Cg_exo -55.71 -36.76 95.57 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.017 2.478 . . . . 0.0 112.39 175.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.0 t -58.83 -28.77 66.36 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.053 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -63.64 -45.53 89.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.101 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.416 ' HA ' ' HE2' ' A' ' 44' ' ' LYS . 49.6 mtm180 -67.33 -37.15 82.83 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.055 0.455 . . . . 0.0 110.659 177.255 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 38' ' ' PRO . 79.3 mt -65.24 -35.84 82.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.794 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.7 m -62.44 -29.91 70.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.742 -177.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' A' ' 41' ' ' ARG . 49.8 mtmt -72.49 -50.43 26.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.938 0.399 . . . . 0.0 111.828 -176.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 46' ' ' VAL . 7.5 p -105.91 -52.52 7.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -173.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.473 HG21 HD22 ' A' ' 42' ' ' LEU . 55.5 t -59.17 -47.34 90.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.584 -175.172 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -82.71 24.83 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -176.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -134.31 -38.66 0.84 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -60.86 113.17 2.36 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.885 0.374 . . . . 0.0 111.049 -176.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.8 m -69.21 -31.03 69.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.104 -176.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.53 -46.54 79.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.015 0.436 . . . . 0.0 110.702 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.524 HG12 HD11 ' A' ' 6' ' ' ILE . 57.3 t -68.88 -33.97 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.379 176.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.579 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -57.46 -51.23 70.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.663 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.09 -43.25 95.98 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.014 0.435 . . . . 0.0 110.347 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -54.87 -56.39 20.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.338 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -67.27 -52.89 35.2 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -64.72 -30.87 71.9 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -170.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.422 ' NE ' ' HA ' ' A' ' 58' ' ' ARG . 7.1 tpm_? -88.41 -34.89 17.39 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.786 -176.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -88.88 -33.74 17.22 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.726 -174.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -125.44 157.79 36.02 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.544 HG13 ' NH2' ' A' ' 9' ' ' ARG . 91.6 t -89.86 120.83 39.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -86.22 120.92 28.11 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.374 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.577 HD23 HG22 ' A' ' 29' ' ' VAL . 64.7 tp -122.14 125.29 45.84 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.539 -176.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HD3' ' HG2' ' A' ' 10' ' ' GLU . 66.6 tttt -93.71 122.77 36.51 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.45 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 97.3 mmm -129.91 133.61 46.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.012 0.434 . . . . 0.0 110.67 176.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.546 ' HB3' ' HB3' ' A' ' 69' ' ' LYS . 8.6 t70 -91.63 155.51 18.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 177.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' A' ' 32' ' ' PHE . 20.6 mmt -70.06 -28.3 65.34 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.584 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -115.14 16.05 17.02 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.342 -177.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.546 ' HB3' ' HB3' ' A' ' 66' ' ' ASP . 17.9 tppt? -107.79 111.67 23.95 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.83 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.75 -117.68 9.25 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.62 -0.718 . . . . 0.0 113.301 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -72.37 -4.43 29.93 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 122.439 0.296 . . . . 0.0 111.594 -175.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -55.56 -42.57 84.6 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.899 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 28.6 m -67.07 -34.07 67.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.058 0.456 . . . . 0.0 110.756 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.39 -47.53 63.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.005 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.21 -43.94 97.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.949 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.482 ' HG3' ' CG1' ' A' ' 81' ' ' VAL . 17.9 ttp180 -59.79 -43.44 94.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.338 -178.344 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -76.14 -23.85 54.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.932 0.396 . . . . 0.0 110.569 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -71.65 -50.02 34.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.199 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.404 ' HE1' HG11 ' A' ' 96' ' ' VAL . 94.7 m-85 -90.94 -7.15 52.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.118 -176.227 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 57.72 46.41 92.27 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.168 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.487 HG21 ' OG1' ' A' ' 86' ' ' THR . 6.2 p -74.44 120.78 24.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.626 0.726 . . . . 0.0 111.221 -176.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -109.55 8.27 25.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.352 176.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.4 -179.53 4.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.893 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.804 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 33.9 m-85 -95.33 -55.74 0.22 Allowed Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.095 -177.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.804 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 3.4 Cg_endo -87.94 130.01 2.55 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 122.214 1.942 . . . . 0.0 111.156 174.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.588 ' HB ' ' HB2' ' A' ' 31' ' ' CYS . 3.9 m -127.63 105.43 8.47 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.714 -0.395 . . . . 0.0 110.873 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.737 HD12 HD23 ' A' ' 100' ' ' LEU . 79.0 mt -96.38 137.84 34.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 176.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.573 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 19.8 tp -134.98 128.57 32.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.111 -171.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.637 ' HZ ' HG13 ' A' ' 113' ' ' VAL . 73.9 m-85 -110.64 106.54 15.82 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.293 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 57.3 mt -113.17 132.35 62.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.612 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 34.4 p30 -79.21 171.85 14.61 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.497 ' HA ' HD11 ' A' ' 17' ' ' LEU . 19.3 m -73.38 -1.37 17.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 0.0 111.738 -177.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.9 t -87.25 -31.81 20.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.887 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.82 14.3 8.74 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.441 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -113.19 148.17 35.98 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.767 0.317 . . . . 0.0 110.475 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.404 HG11 ' HE1' ' A' ' 79' ' ' TYR . 7.7 p -86.57 129.82 37.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.284 0.564 . . . . 0.0 110.52 178.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.6 t -93.23 -42.72 13.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.288 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -143.99 137.77 27.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.707 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -118.98 135.52 54.57 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.737 HD23 HD12 ' A' ' 87' ' ' LEU . 55.4 tp -126.37 107.23 10.1 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.059 0.457 . . . . 0.0 110.599 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 15.1 m -102.29 122.54 54.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.057 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.1 150.52 26.85 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -175.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.421 ' HB1' HD13 ' A' ' 109' ' ' LEU . . . -153.28 141.77 20.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.817 0.342 . . . . 0.0 111.573 -176.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -101.31 -174.14 2.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.434 174.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -59.55 170.17 1.11 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.975 0.416 . . . . 0.0 111.899 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.595 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -46.02 -57.49 8.08 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -169.187 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.595 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 27.4 Cg_exo -62.21 -43.53 23.3 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 121.715 1.61 . . . . 0.0 112.536 -174.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -73.21 -32.9 65.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.788 -176.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.443 ' O ' HG23 ' A' ' 113' ' ' VAL . 54.2 tp -65.09 -51.25 62.45 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.179 174.267 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 55.4 tp -54.47 -46.21 73.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.683 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.58 -38.72 91.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.748 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.418 ' HD2' ' HA ' ' A' ' 112' ' ' LYS . 35.8 tptt -69.05 -38.78 79.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.711 -178.371 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.637 HG13 ' HZ ' ' A' ' 89' ' ' PHE . 93.2 t -63.95 -46.68 93.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.524 177.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -62.34 -42.85 99.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.64 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.9 tp -72.8 -11.01 60.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.112 0.482 . . . . 0.0 110.772 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -80.11 -22.23 63.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.098 -0.572 . . . . 0.0 111.987 176.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 43.9 t -109.63 -45.32 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.743 0.306 . . . . 0.0 110.367 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 . . . . . 0 C--O 1.235 0.298 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.548 -179.34 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.678 0 CA-C-O 120.822 0.124 . . . . 0.0 113.152 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.555 HG12 ' HA ' ' A' ' 53' ' ' ALA . 19.1 mt -68.72 114.48 5.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.885 0.374 . . . . 0.0 110.481 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -98.01 96.86 8.44 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.135 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.526 ' CB ' ' HB2' ' A' ' 64' ' ' LYS . 77.3 m-85 -71.28 112.32 7.32 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 175.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -68.06 133.37 48.87 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.076 -174.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.7 mp0 -81.39 94.13 6.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.623 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.558 ' HB2' HD13 ' A' ' 63' ' ' LEU . 83.7 mt -113.02 152.65 29.22 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.194 174.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.8 m -81.83 169.3 17.04 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.453 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 63.8 t80 -55.29 -54.52 49.79 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-O 119.573 -0.251 . . . . 0.0 110.96 178.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 20.5 Cg_endo -61.16 -39.65 57.19 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 121.915 1.743 . . . . 0.0 112.32 176.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -58.04 -54.22 49.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.006 0.432 . . . . 0.0 111.542 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.466 ' HB1' HD21 ' A' ' 27' ' ' LEU . . . -63.89 -41.33 97.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.946 -177.034 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.0 tp -63.35 -45.11 92.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.3 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -56.27 -50.52 71.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.837 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.418 ' HA ' ' HD3' ' A' ' 19' ' ' ARG . 23.7 mmt180 -63.13 -36.25 82.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.283 -178.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.594 ' HB1' ' HA ' ' A' ' 92' ' ' SER . . . -58.51 -51.25 70.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.059 0.457 . . . . 0.0 110.751 176.079 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.33 -51.24 66.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.511 -177.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.1 m -79.11 -32.01 14.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -170.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -100.04 -23.04 15.0 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.635 -174.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.6 t70 64.99 90.29 0.09 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.293 0.568 . . . . 0.0 111.89 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -176.49 121.76 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.608 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.591 HD22 ' HA ' ' A' ' 91' ' ' ASN . 72.8 mt -63.3 154.7 30.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.404 0.621 . . . . 0.0 112.014 -172.076 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.701 ' HG ' ' HB ' ' A' ' 61' ' ' VAL . 10.1 mp -101.22 143.78 30.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.662 -174.12 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.401 ' CZ ' HD22 ' A' ' 87' ' ' LEU . 60.0 t80 -122.12 107.57 12.34 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 168.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.729 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 23.7 t -104.27 127.52 58.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.264 -172.607 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -98.91 112.7 24.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.433 173.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.4 ' SG ' HG12 ' A' ' 29' ' ' VAL . 79.2 m -122.09 112.3 18.06 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.491 ' O ' ' HG2' ' A' ' 67' ' ' MET . 50.4 p90 -127.11 165.65 19.14 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.495 0.664 . . . . 0.0 111.478 -174.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.9 m -99.39 151.63 20.87 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.922 -1.035 . . . . 0.0 108.85 173.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.6 m -43.48 -44.5 5.96 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.141 0.496 . . . . 0.0 110.97 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -82.48 94.2 7.4 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 170.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.576 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 6.6 p -134.05 83.01 2.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.25 0.547 . . . . 0.0 110.939 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.27 -65.4 3.59 Favored Glycine 0 CA--C 1.517 0.208 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.936 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.509 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 9.7 Cg_endo -53.71 -36.82 83.08 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.915 2.41 . . . . 0.0 112.838 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.576 ' HB3' ' HB2' ' A' ' 36' ' ' CYS . 53.0 t -64.62 -50.39 67.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.679 0.276 . . . . 0.0 110.467 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 71.3 mmtt -66.49 -28.33 68.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.822 179.402 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -63.12 -47.25 83.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.447 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.539 HD21 ' HB1' ' A' ' 103' ' ' ALA . 4.2 pp -78.9 -20.07 50.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.2 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.711 ' O ' ' HB2' ' A' ' 47' ' ' PHE . 71.3 m -58.52 -29.94 66.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 111.63 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -78.91 -46.88 17.51 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.285 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.536 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 6.8 m -89.24 -40.79 13.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -173.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.8 t -78.89 -33.12 15.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 O-C-N 122.186 -0.321 . . . . 0.0 110.844 -177.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.711 ' HB2' ' O ' ' A' ' 43' ' ' SER . 10.2 m-85 -91.05 19.31 5.82 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -176.11 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -113.34 -11.52 13.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.247 0.546 . . . . 0.0 110.206 171.562 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -92.0 114.76 27.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.447 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.7 t -69.62 -32.01 70.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.209 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.48 -42.22 71.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.616 0.246 . . . . 0.0 111.405 -176.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 84.6 t -61.75 -44.13 98.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.03 0.443 . . . . 0.0 110.081 175.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.555 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -61.34 -48.31 81.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.936 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -57.14 -43.31 82.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.132 178.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -56.19 -47.23 78.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.236 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -74.7 -42.23 58.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.608 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.586 ' HA ' ' OD1' ' A' ' 62' ' ' ASN . 26.1 t-20 -61.97 -37.54 85.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.726 -175.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -83.76 -46.84 11.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.977 -176.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 -84.89 -17.63 37.3 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -170.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -137.56 169.44 17.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.996 0.426 . . . . 0.0 110.88 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.701 ' HB ' ' HG ' ' A' ' 27' ' ' LEU . 61.1 t -92.48 121.8 43.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 173.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.586 ' OD1' ' HA ' ' A' ' 57' ' ' ASN . 7.1 m120 -83.57 115.96 22.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.113 -178.394 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.558 HD13 ' HB2' ' A' ' 11' ' ' LEU . 45.8 tp -126.61 129.32 48.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.768 0.318 . . . . 0.0 111.274 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.526 ' HB2' ' CB ' ' A' ' 8' ' ' PHE . 61.0 tttm -114.06 127.82 56.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.062 175.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 30.9 ttm -143.15 122.85 13.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.102 0.477 . . . . 0.0 110.367 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.669 ' HB2' ' HG2' ' A' ' 69' ' ' LYS . 4.1 m-20 -93.96 155.44 17.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.132 -173.254 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.491 ' HG2' ' O ' ' A' ' 32' ' ' PHE . 22.9 mmt -77.91 4.38 12.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.761 -176.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -114.37 9.28 16.84 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.085 0.469 . . . . 0.0 110.333 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.669 ' HG2' ' HB2' ' A' ' 66' ' ' ASP . 69.4 mmtt -104.16 163.86 12.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.726 -178.021 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.25 -16.32 62.29 Favored Glycine 0 N--CA 1.453 -0.197 0 CA-C-N 115.931 -0.577 . . . . 0.0 114.07 -172.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -112.77 -6.44 13.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.289 0.545 . . . . 0.0 110.962 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.56 -46.26 32.82 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.819 -0.705 . . . . 0.0 113.344 -173.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.2 m -68.7 -19.66 24.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 121.034 -0.267 . . . . 0.0 111.076 -175.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -65.45 -52.01 56.08 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.261 0.553 . . . . 0.0 109.658 177.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 76.7 mt -67.08 -36.05 81.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.637 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.497 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 62.0 ttp180 -57.16 -50.44 72.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.222 -179.25 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -73.93 -27.98 61.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.129 0.49 . . . . 0.0 110.512 -177.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -73.64 -32.84 64.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.616 -175.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -115.54 16.06 16.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -173.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.12 28.11 70.81 Favored Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 120.926 -0.654 . . . . 0.0 113.173 174.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.539 HG22 HG21 ' A' ' 86' ' ' THR . 30.6 t -79.86 147.13 6.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.134 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -127.02 -72.07 0.66 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -175.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -153.76 32.22 0.45 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.082 0.467 . . . . 0.0 111.566 -174.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.676 ' HB3' ' HD2' ' A' ' 85' ' ' PRO . 98.6 m-85 -127.4 178.87 1.39 Allowed Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.625 -178.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.676 ' HD2' ' HB3' ' A' ' 84' ' ' TYR . 57.1 Cg_endo -76.59 130.62 11.84 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 121.725 1.617 . . . . 0.0 110.992 163.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.561 HG23 ' HA ' ' A' ' 101' ' ' VAL . 25.2 m -131.66 129.61 41.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.924 0.393 . . . . 0.0 110.937 -176.305 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.401 HD22 ' CZ ' ' A' ' 28' ' ' PHE . 60.0 mt -94.99 132.78 39.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.155 -176.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.729 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 94.9 mt -120.92 121.79 38.8 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.891 0.377 . . . . 0.0 111.249 -177.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -102.61 106.78 17.51 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.477 HD12 HG21 ' A' ' 29' ' ' VAL . 58.9 mt -114.14 143.27 24.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.027 0.441 . . . . 0.0 111.329 -172.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.591 ' HA ' HD22 ' A' ' 26' ' ' LEU . 92.2 m-20 -87.76 -167.96 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.876 177.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.594 ' HA ' ' HB1' ' A' ' 20' ' ' ALA . 6.8 m -72.87 -43.9 62.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.576 -177.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.4 m -92.7 28.24 2.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.882 0.372 . . . . 0.0 110.381 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 91' ' ' ASN . . . 84.96 -129.55 9.3 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -170.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 56.84 95.99 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 117.241 0.52 . . . . 0.0 111.918 172.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.7 m -66.41 114.15 3.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.242 0.544 . . . . 0.0 110.489 177.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.3 p -77.81 -29.27 15.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.28 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -150.11 141.78 23.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.901 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -123.64 143.81 50.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.039 0.447 . . . . 0.0 110.732 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.1 tt -152.69 108.38 3.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.759 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.561 ' HA ' HG23 ' A' ' 86' ' ' THR . 48.5 t -92.03 105.64 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.18 175.32 14.34 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.083 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.539 ' HB1' HD21 ' A' ' 42' ' ' LEU . . . -144.91 126.69 15.29 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.416 ' H ' HD13 ' A' ' 109' ' ' LEU . 3.9 mm-40 -99.01 169.07 9.69 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.487 -175.067 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.602 ' OD1' ' HD2' ' A' ' 107' ' ' PRO . 1.5 p30 -69.91 166.49 19.4 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 110.224 -0.288 . . . . 0.0 110.224 174.519 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.591 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -46.1 -54.74 15.83 Favored Pre-proline 0 CA--C 1.54 0.585 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -173.026 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.602 ' HD2' ' OD1' ' A' ' 105' ' ' ASP . 24.3 Cg_exo -63.44 -47.7 7.18 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 122.036 1.824 . . . . 0.0 112.474 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 112' ' ' LYS . 12.1 tp10 -68.96 -32.65 72.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.827 -176.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.416 HD13 ' H ' ' A' ' 104' ' ' GLU . 25.9 tp -67.16 -49.22 65.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.927 -179.008 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 44.2 tp -61.61 -37.84 85.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.428 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.484 ' HG3' HD23 ' A' ' 115' ' ' LEU . 23.7 ttmm -70.07 -35.07 73.95 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.908 176.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 108' ' ' GLU . 6.0 tppt? -63.47 -44.47 94.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.107 -178.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.2 p -72.75 -41.42 61.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.962 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -66.66 -54.68 20.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.605 0.24 . . . . 0.0 111.417 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.484 HD23 ' HG3' ' A' ' 111' ' ' LYS . 4.5 mm? -73.81 -7.43 52.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 111.462 -176.312 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -90.16 -15.97 56.57 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.348 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.57 -52.63 2.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-O 120.662 0.268 . . . . 0.0 111.209 -177.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 120.958 0.409 . . . . 0.0 110.59 -176.959 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 47' ' ' PHE . . . . . . . . 0 N--CA 1.444 -0.788 0 N-CA-C 111.564 -0.614 . . . . 0.0 111.564 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.561 HG12 ' HA ' ' A' ' 53' ' ' ALA . 29.9 mt -64.91 134.16 29.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.873 0.368 . . . . 0.0 110.52 176.384 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.87 95.28 8.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.761 -178.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.813 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 89.2 m-85 -82.06 139.16 34.62 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.204 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -119.52 136.79 54.19 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.77 96.19 6.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.481 0.658 . . . . 0.0 111.789 -177.389 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.423 HD12 ' HG2' ' A' ' 15' ' ' GLU . 3.3 mm? -112.07 167.52 10.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.54 175.379 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.8 t -70.59 162.02 29.66 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 171.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.64 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 79.3 t80 -59.53 -53.63 63.89 Favored Pre-proline 0 CA--C 1.538 0.488 0 CA-C-O 119.327 -0.368 . . . . 0.0 111.724 -176.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.64 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 52.7 Cg_exo -53.21 -44.88 45.22 Favored 'Trans proline' 0 C--N 1.359 1.098 0 C-N-CA 121.928 1.752 . . . . 0.0 112.181 174.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.645 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 14.6 tp10 -57.89 -55.02 40.29 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.842 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.6 -36.94 82.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.656 -177.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.6 tp -61.73 -49.77 75.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.441 0.639 . . . . 0.0 109.974 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -62.5 -43.44 98.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.922 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.645 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 12.9 mmt180 -57.83 -42.46 84.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.024 178.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.668 ' HA ' ' HB2' ' A' ' 24' ' ' ASP . . . -63.17 -45.63 90.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.4 ' OE1' ' HB3' ' A' ' 92' ' ' SER . 7.0 mm-40 -57.09 -37.34 71.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.835 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.7 t -87.81 -55.42 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -176.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -98.94 -33.69 10.75 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -169.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.668 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 15.8 m-20 -110.31 -150.15 0.45 Allowed 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.715 -172.161 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 50.0 tptt -129.59 -85.37 0.55 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.449 0.166 . . . . 0.0 110.593 178.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.537 ' HG ' ' HA ' ' A' ' 91' ' ' ASN . 8.8 mp -98.75 -176.6 3.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.593 0.235 . . . . 0.0 110.396 177.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.533 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 68.2 tp -110.95 119.81 40.29 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.902 0.382 . . . . 0.0 111.115 -175.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.476 ' HB2' ' CB ' ' A' ' 60' ' ' PHE . 89.1 t80 -98.66 107.38 19.82 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 175.196 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.579 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 39.3 t -95.0 105.0 16.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.749 -177.226 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -90.85 110.53 21.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.137 174.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 97.6 m -123.32 113.63 19.12 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.352 176.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.485 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 21.9 p90 -129.09 165.4 21.3 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.54 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.515 HG22 ' H ' ' A' ' 35' ' ' TRP . 28.2 m -99.36 147.82 24.82 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.091 177.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -57.66 -28.65 63.95 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.515 ' H ' HG22 ' A' ' 33' ' ' THR . 84.3 t90 -57.53 111.13 1.02 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.489 171.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.448 ' HB3' ' HE3' ' A' ' 40' ' ' LYS . 91.3 m -79.51 99.34 7.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.234 0.54 . . . . 0.0 111.537 -174.058 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.8 -116.34 1.86 Allowed Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.367 175.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.466 ' HB2' ' HG3' ' A' ' 85' ' ' PRO . 32.0 Cg_exo -60.43 -28.33 86.54 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 123.023 2.482 . . . . 0.0 112.512 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.7 p -59.19 -35.57 73.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.7 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.448 ' HE3' ' HB3' ' A' ' 36' ' ' CYS . 40.9 ttmt -69.85 -45.53 67.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.741 0.305 . . . . 0.0 110.684 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -66.66 -35.44 80.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.03 0.443 . . . . 0.0 110.217 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.432 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 63.4 tp -60.94 -46.86 88.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.658 177.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.1 t -75.66 -39.56 57.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 -176.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 17.6 tppt? -79.58 -42.44 25.0 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -174.144 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.6 t -94.63 -50.36 11.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -173.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.442 HG13 ' HA ' ' A' ' 106' ' ' ALA . 49.1 t -72.76 -52.31 23.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 111.531 -174.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.438 ' O ' ' HA2' ' A' ' 5' ' ' GLY . 22.6 m-85 -82.21 16.02 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.38 -0.373 . . . . 0.0 112.001 -174.143 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 52.8 tttp -83.89 -31.46 25.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.921 0.391 . . . . 0.0 110.853 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -69.72 139.0 53.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.496 -174.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.9 p -69.08 -37.33 78.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.749 -176.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.49 -41.75 75.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.329 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.0 t -63.89 -44.72 98.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.121 174.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.561 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -56.85 -50.14 73.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.43 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -68.08 -35.48 78.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.431 -177.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -57.89 -51.8 68.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.103 0.478 . . . . 0.0 110.528 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -72.94 -29.88 63.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -70.08 -38.49 75.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.992 0.425 . . . . 0.0 111.493 -178.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -83.73 -40.48 18.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.803 0.335 . . . . 0.0 111.407 -175.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -80.22 -28.01 38.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.41 -174.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.476 ' CB ' ' HB2' ' A' ' 28' ' ' PHE . 78.2 m-85 -136.94 153.95 50.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.236 -177.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.423 HG13 HD12 ' A' ' 27' ' ' LEU . 5.4 p -81.24 127.78 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 168.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -80.18 95.7 6.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.366 -176.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 56.0 tp -104.79 125.5 50.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.593 -178.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.813 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 89.2 tttt -108.2 134.72 50.66 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.241 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.4 mmt -132.03 159.25 39.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.028 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -102.99 157.05 17.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 172.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 41.1 mtt -96.87 -8.84 29.88 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 120.834 0.349 . . . . 0.0 111.351 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -115.0 -40.67 3.45 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.444 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -93.28 117.32 29.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.307 -175.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.97 -116.33 4.64 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.029 -0.605 . . . . 0.0 113.302 172.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -85.98 6.65 27.69 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.345 0.258 . . . . 0.0 111.225 -174.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.26 -57.0 22.02 Favored Glycine 0 N--CA 1.453 -0.172 0 CA-C-N 116.259 -0.428 . . . . 0.0 113.761 -172.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 28.0 m -60.21 -32.67 51.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.806 0.336 . . . . 0.0 111.171 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 44.6 mt-10 -75.35 -46.87 30.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.266 -178.046 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.42 -36.65 84.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.882 0.372 . . . . 0.0 110.609 178.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.688 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 53.4 ttp180 -62.16 -36.99 83.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.183 177.11 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -76.68 -26.76 55.12 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.465 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 67.8 mmtt -69.47 -49.52 54.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.812 -178.246 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -100.8 2.63 41.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.513 -173.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.43 44.05 91.2 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.434 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.688 ' HB ' ' HG3' ' A' ' 76' ' ' ARG . 58.5 t -76.33 125.8 36.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.721 0.296 . . . . 0.0 110.84 -176.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -127.41 12.75 7.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.321 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.03 177.68 5.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.148 -177.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.714 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 77.6 m-85 -92.3 -51.82 0.28 Allowed Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.714 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 58.4 Cg_endo -94.6 110.04 0.15 Allowed 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.397 2.065 . . . . 0.0 112.03 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.8 m -128.0 136.25 51.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.827 0.346 . . . . 0.0 111.071 -175.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.416 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 5.8 mp -125.92 121.9 34.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.299 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.579 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 3.2 mm? -116.54 125.75 52.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.008 0.433 . . . . 0.0 111.055 178.383 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -101.68 108.27 19.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.43 176.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.533 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 48.8 mm -110.41 141.25 26.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.723 -174.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.537 ' HA ' ' HG ' ' A' ' 26' ' ' LEU . 16.3 t-20 -74.52 172.0 12.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.089 0.471 . . . . 0.0 110.042 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.4 ' HB3' ' OE1' ' A' ' 21' ' ' GLU . 4.6 m -72.6 -15.91 61.73 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.501 -177.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.503 ' HB2' ' HG2' ' A' ' 95' ' ' GLU . 3.9 m -93.56 6.45 48.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.618 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.04 26.38 62.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.939 -176.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.503 ' HG2' ' HB2' ' A' ' 93' ' ' SER . 23.2 mm-40 -97.15 147.73 23.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.527 -0.336 . . . . 0.0 111.018 -176.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 65.4 t -81.78 108.56 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.971 0.415 . . . . 0.0 110.579 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 64.1 t -86.71 -56.84 4.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -178.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -153.57 127.54 8.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.908 -177.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.441 ' HA ' HD13 ' A' ' 88' ' ' LEU . 17.0 ptp180 -95.78 145.18 25.53 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.382 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.416 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 25.3 tp -136.23 107.65 6.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.139 0.495 . . . . 0.0 110.639 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 62.9 t -101.15 107.98 22.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.514 177.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.86 144.66 16.97 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -175.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -122.03 136.78 54.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.081 0.467 . . . . 0.0 111.412 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -96.35 -175.88 3.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.776 176.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -71.49 168.92 16.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.561 0.219 . . . . 0.0 111.027 179.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.549 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -46.81 -53.52 25.46 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -171.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.549 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 36.4 Cg_exo -59.9 -50.23 8.15 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 121.927 1.752 . . . . 0.0 112.777 -177.256 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -74.19 -26.36 60.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.7 -175.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.5 tp -66.6 -49.4 66.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.366 0.603 . . . . 0.0 109.787 174.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 54.3 tp -58.32 -34.66 70.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.686 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -67.69 -44.24 78.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.645 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -65.85 -42.22 90.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.096 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.1 -40.06 86.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.49 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -66.07 -45.48 81.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.01 0.433 . . . . 0.0 110.4 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.3 tp -63.98 -30.7 71.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.343 -177.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.41 -45.2 24.9 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.618 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 48.8 t -75.29 -43.28 43.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.62 0.247 . . . . 0.0 110.853 -177.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 C--N 1.328 -0.342 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.387 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.504 0 N-CA-C 112.091 -0.404 . . . . 0.0 112.091 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.419 ' H ' ' HB3' ' A' ' 47' ' ' PHE . 60.0 mt -65.89 116.87 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.911 0.386 . . . . 0.0 110.459 178.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.39 92.23 8.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.022 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 62' ' ' ASN . 96.3 m-85 -71.61 137.89 48.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.94 177.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.411 ' O ' HD12 ' A' ' 63' ' ' LEU . 51.9 mtt180 -77.09 156.28 31.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.805 -177.033 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -125.05 94.6 4.22 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 177.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.413 ' H ' HD11 ' A' ' 63' ' ' LEU . 50.7 mt -145.39 167.17 23.58 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.165 -176.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.499 ' HB2' ' HG2' ' A' ' 15' ' ' GLU . 14.7 m -65.22 147.71 52.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 174.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.654 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 65.8 t80 -58.03 -52.71 72.48 Favored Pre-proline 0 CA--C 1.541 0.616 0 CA-C-O 119.4 -0.333 . . . . 0.0 111.873 -177.175 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.654 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 77.0 Cg_exo -51.04 -43.65 46.79 Favored 'Trans proline' 0 C--N 1.362 1.238 0 C-N-CA 122.333 2.022 . . . . 0.0 112.552 174.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.499 ' HG2' ' HB2' ' A' ' 12' ' ' SER . 40.2 mm-40 -59.63 -50.61 73.21 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.988 178.134 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.5 -36.72 84.7 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.082 -177.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.2 tp -61.14 -47.2 87.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.545 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -56.19 -51.5 67.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.132 178.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -61.31 -37.9 84.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.128 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.08 -35.78 79.69 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.222 178.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -69.4 -41.42 76.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.871 0.367 . . . . 0.0 111.188 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.2 t -83.98 -48.93 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.98 -174.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -84.0 -32.18 25.08 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -172.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.664 ' OD2' ' HA ' ' A' ' 60' ' ' PHE . 11.7 t70 -135.5 -132.61 0.15 Allowed 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.551 -171.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.643 ' HG3' ' HG ' ' A' ' 26' ' ' LEU . 4.2 ptpt -151.1 -40.25 0.12 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.592 -171.326 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.643 ' HG ' ' HG3' ' A' ' 25' ' ' LYS . 96.0 mt -135.64 141.62 45.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.056 0.455 . . . . 0.0 110.801 -176.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.58 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 52.6 tp -95.57 115.5 27.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.979 178.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -90.98 107.98 19.55 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.568 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.891 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 38.3 t -99.22 123.1 51.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.948 0.404 . . . . 0.0 111.0 -176.195 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -99.68 105.03 16.81 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.208 176.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.2 m -110.3 142.44 41.93 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.289 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -152.91 167.0 30.56 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.466 -178.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.5 p -98.98 154.97 17.67 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.016 174.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.5 m -73.33 -16.18 61.37 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.203 0.525 . . . . 0.0 109.883 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -61.8 108.86 1.08 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.326 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 66.1 m 59.7 -159.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.527 0.517 . . . . 0.0 110.249 -178.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.07 75.46 0.41 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.314 -0.946 . . . . 0.0 112.246 175.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.55 -46.33 5.54 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.56 2.174 . . . . 0.0 111.984 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.6 t -81.12 -36.37 30.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.112 0.482 . . . . 0.0 109.732 176.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -60.24 -24.48 64.9 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.037 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -57.73 -47.24 83.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.056 175.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.1 mp -72.35 -31.55 65.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.499 -177.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.436 ' HA ' ' HB2' ' A' ' 47' ' ' PHE . 11.2 m -58.4 -29.78 66.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.121 0.486 . . . . 0.0 110.837 177.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.421 ' HB2' ' NZ ' ' A' ' 44' ' ' LYS . 4.2 ttmp? -69.56 -58.99 3.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.512 -177.403 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.5 t -110.78 -53.11 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -177.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 73.6 t -55.96 -49.98 72.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -173.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.436 ' HB2' ' HA ' ' A' ' 43' ' ' SER . 19.5 m-30 -73.37 1.81 8.89 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -175.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.439 ' NZ ' ' HB3' ' A' ' 48' ' ' LYS . 4.4 mmmp? -92.33 -11.12 35.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.706 0.288 . . . . 0.0 110.584 176.231 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -65.61 126.09 27.26 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.2 m -69.26 -35.38 76.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.645 -173.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.3 mt -69.21 -52.44 27.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.753 0.311 . . . . 0.0 111.228 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.57 HG21 ' HB1' ' A' ' 106' ' ' ALA . 78.2 t -62.91 -44.48 99.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.188 -178.15 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.93 -48.93 79.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.998 0.428 . . . . 0.0 110.375 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.53 -36.75 79.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.173 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -65.49 -59.27 4.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.108 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -64.51 -30.96 71.99 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -177.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -72.23 -44.47 62.86 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.7 ttp-105 -89.44 -34.96 16.27 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -175.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.478 ' O ' ' HE3' ' A' ' 25' ' ' LYS . 86.0 m-70 -88.83 -12.55 41.62 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -173.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.664 ' HA ' ' OD2' ' A' ' 24' ' ' ASP . 85.3 m-85 -148.14 176.1 10.49 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.451 HG23 ' CB ' ' A' ' 24' ' ' ASP . 82.1 t -111.59 117.55 55.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 171.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.431 ' HB2' ' CD1' ' A' ' 8' ' ' PHE . 4.3 p30 -97.18 132.71 42.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.458 0.647 . . . . 0.0 111.556 -177.031 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.413 HD11 ' H ' ' A' ' 11' ' ' LEU . 15.1 tp -136.29 129.61 31.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.709 -177.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.481 ' HD3' ' O ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -96.45 150.75 20.26 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.548 178.905 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 53.4 ttm -148.93 128.12 12.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.823 0.344 . . . . 0.0 110.842 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -70.81 155.71 40.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.712 173.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 43.1 ttm -94.01 -8.34 40.21 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.2 0.524 . . . . 0.0 110.706 -177.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -114.88 15.49 17.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.218 0.533 . . . . 0.0 110.361 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -149.76 151.82 34.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.328 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.01 46.68 90.72 Favored Glycine 0 CA--C 1.517 0.217 0 O-C-N 123.426 0.454 . . . . 0.0 113.826 172.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 67.84 15.61 9.61 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 122.751 0.42 . . . . 0.0 112.05 176.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.99 -32.72 81.21 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.152 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.77 -32.91 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.943 0.401 . . . . 0.0 110.487 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -67.86 -43.24 79.91 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.508 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 78.8 mt -66.49 -33.95 76.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.568 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -55.18 -50.11 70.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.514 176.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -74.16 -32.08 62.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.996 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -61.79 -49.16 77.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.271 -176.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -96.0 -4.19 43.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.402 -176.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.74 51.61 55.75 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.269 -0.491 . . . . 0.0 112.223 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.9 p -70.82 134.3 30.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.101 0.477 . . . . 0.0 111.368 -176.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -110.37 -6.92 14.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.847 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -110.17 -176.32 2.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.007 -176.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.564 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 94.0 m-85 -92.75 -47.0 0.31 Allowed Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -177.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.564 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 95.5 Cg_endo -92.56 147.32 2.76 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 121.871 1.714 . . . . 0.0 112.117 174.023 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.6 m -151.66 128.29 10.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.733 0.302 . . . . 0.0 111.067 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.696 HD12 HD23 ' A' ' 100' ' ' LEU . 86.4 mt -109.08 130.54 55.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.976 0.417 . . . . 0.0 109.893 176.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.891 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 3.1 mm? -116.83 139.72 50.28 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.819 -175.42 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -114.9 106.14 13.82 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 176.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.58 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 46.2 mm -102.35 136.33 35.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.894 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.465 HD21 ' HG3' ' A' ' 95' ' ' GLU . 33.9 p30 -91.1 178.81 5.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.976 0.417 . . . . 0.0 110.951 -178.375 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 t -75.87 -13.94 60.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 -175.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.8 t -74.06 -21.36 59.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.44 177.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 97.19 29.9 7.7 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.149 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.465 ' HG3' HD21 ' A' ' 91' ' ' ASN . 8.6 pt-20 -142.59 167.34 22.33 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.6 p -84.84 137.16 21.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.254 0.55 . . . . 0.0 111.012 -176.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 12.9 p -95.69 -31.77 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.819 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -166.16 150.5 7.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.647 ' HD3' ' H ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -121.63 134.25 54.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 177.596 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.696 HD23 HD12 ' A' ' 87' ' ' LEU . 32.9 tp -111.2 114.21 27.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.387 -177.618 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 44.6 t -102.08 101.19 11.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.916 0.389 . . . . 0.0 110.065 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.56 135.06 8.61 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.923 -0.655 . . . . 0.0 111.691 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -127.05 141.89 51.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.937 0.399 . . . . 0.0 110.757 -176.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -100.58 -175.61 2.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.373 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -60.52 169.56 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.436 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.595 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -48.46 -55.42 19.24 Favored Pre-proline 0 CA--C 1.542 0.637 0 N-CA-C 113.372 0.878 . . . . 0.0 113.372 -173.252 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.595 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 24.1 Cg_exo -63.7 -46.27 9.34 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 121.872 1.715 . . . . 0.0 112.474 -178.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -67.92 -29.5 68.6 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.046 -177.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.7 tp -58.94 -55.84 29.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.92 0.391 . . . . 0.0 110.973 178.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 107' ' ' PRO . 3.1 pp -64.7 -31.17 72.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.289 -176.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -68.93 -51.23 42.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.236 0.541 . . . . 0.0 110.063 175.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -59.26 -38.78 80.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.677 -176.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.477 ' O ' HG22 ' A' ' 117' ' ' VAL . 12.2 p -70.61 -40.39 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.861 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -61.67 -49.19 77.51 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 120.804 0.335 . . . . 0.0 111.446 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.78 -24.8 59.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.022 0.439 . . . . 0.0 110.873 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -70.91 -50.08 25.41 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.629 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 113' ' ' VAL . 30.8 m -84.43 2.81 3.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.943 0.401 . . . . 0.0 110.914 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--O 1.233 0.197 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.395 177.914 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.491 ' HA2' ' O ' ' A' ' 47' ' ' PHE . . . . . . . . 0 N--CA 1.445 -0.734 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.581 HG23 ' HB1' ' A' ' 53' ' ' ALA . 9.9 pt -58.91 148.01 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.035 0.445 . . . . 0.0 111.942 -177.465 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -103.87 123.15 46.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.974 -170.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.708 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 90.3 m-85 -67.49 103.36 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.768 172.457 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -82.76 141.77 32.11 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -106.62 121.25 43.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.111 -169.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 44.0 mt -137.91 161.11 37.51 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.728 175.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.6 t -76.27 165.76 24.42 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.091 177.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.502 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 74.4 t80 -55.02 -53.02 66.12 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.055 -177.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 11.3 Cg_endo -55.41 -34.44 89.09 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.237 1.958 . . . . 0.0 112.769 178.514 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 19' ' ' ARG . 16.7 mm-40 -70.29 -53.68 15.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.87 178.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.89 -38.41 88.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.085 -177.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.0 tp -57.14 -54.01 51.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.534 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -64.86 -41.37 95.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.79 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -57.79 -45.91 85.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.685 -178.459 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.63 -31.14 67.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.917 0.389 . . . . 0.0 110.769 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -70.47 -46.16 64.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.631 -178.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.9 m -77.89 -31.11 16.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -174.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -90.9 -18.69 24.33 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.654 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.3 t70 55.53 76.95 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.731 0.777 . . . . 0.0 110.541 -175.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -142.35 151.79 42.26 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.412 177.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.12 112.43 9.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.291 0.567 . . . . 0.0 109.958 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.3 tp -75.11 128.27 35.13 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.493 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -113.59 104.31 12.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.574 176.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.705 HG22 HD23 ' A' ' 63' ' ' LEU . 56.1 t -98.67 117.62 43.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.429 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -79.77 99.02 7.27 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 173.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.624 ' HB3' ' SD ' ' A' ' 67' ' ' MET . 86.6 m -97.31 111.56 23.75 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 174.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -120.49 160.08 23.87 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.034 -172.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.736 ' HB ' ' CE3' ' A' ' 35' ' ' TRP . 17.5 p -100.72 148.58 24.73 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 167.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.7 t -76.77 11.1 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.847 0.356 . . . . 0.0 111.521 -174.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.736 ' CE3' ' HB ' ' A' ' 33' ' ' THR . 1.1 m-90 -66.02 83.08 0.08 Allowed 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 173.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 64.2 m 70.87 -52.58 0.68 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.837 0.855 . . . . 0.0 111.516 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.39 82.7 1.09 Allowed Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.404 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 32.5 Cg_exo -58.38 -38.39 90.63 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.82 2.347 . . . . 0.0 112.424 -176.608 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.7 p -67.56 -20.15 65.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.701 -178.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -65.16 -54.02 36.12 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.942 0.401 . . . . 0.0 110.144 176.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 41' ' ' ARG . 20.5 ttt180 -63.33 -37.95 89.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.391 179.104 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.612 ' O ' HG22 ' A' ' 46' ' ' VAL . 95.6 mt -62.36 -46.52 88.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.755 177.147 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.4 t -53.17 -34.21 55.94 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 122.699 0.4 . . . . 0.0 111.572 -176.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.85 -35.63 81.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.993 -177.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 51.4 t -108.69 -46.81 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -172.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 42' ' ' LEU . 16.6 m -77.14 -21.93 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -170.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.491 ' O ' ' HA2' ' A' ' 5' ' ' GLY . 28.1 m-85 -113.92 24.67 11.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.855 0.36 . . . . 0.0 111.276 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -88.84 -30.52 18.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.94 -175.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -72.0 135.09 46.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.968 -177.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.9 t -68.24 -41.71 80.79 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.557 -175.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.2 mt -68.9 -49.55 57.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.748 0.308 . . . . 0.0 110.822 -177.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 96.3 t -59.79 -45.24 94.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.704 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.581 ' HB1' HG23 ' A' ' 6' ' ' ILE . . . -57.58 -50.83 71.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.812 -176.265 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -63.99 -50.86 66.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.449 -177.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -61.9 -46.41 89.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.976 -177.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -67.91 -51.55 46.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.249 -175.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.554 ' HB2' HG21 ' A' ' 6' ' ' ILE . 12.6 t30 -68.8 -30.81 69.46 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -171.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.454 HH11 ' HD2' ' A' ' 58' ' ' ARG . 45.1 mtm180 -86.75 -24.81 24.98 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.281 -0.568 . . . . 0.0 112.384 -177.061 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -91.98 -39.36 11.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.909 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -110.37 117.35 33.39 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.6 t -73.38 115.99 15.06 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.414 -175.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -80.75 110.17 16.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.167 0.508 . . . . 0.0 110.291 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.705 HD23 HG22 ' A' ' 29' ' ' VAL . 52.7 tp -114.7 142.81 46.0 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.66 178.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.708 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 29.6 ttmt -116.05 121.01 40.94 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.503 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 84.1 mtp -138.75 150.78 46.49 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.798 0.332 . . . . 0.0 110.444 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -90.86 158.92 16.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.307 0.575 . . . . 0.0 110.629 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.624 ' SD ' ' HB3' ' A' ' 31' ' ' CYS . 53.1 mtm -115.01 5.17 14.91 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.582 178.124 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -114.34 -40.28 3.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.627 175.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -118.87 150.51 39.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.171 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 74.41 54.3 6.22 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.94 -0.648 . . . . 0.0 113.133 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 64.89 21.03 12.27 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.062 0.458 . . . . 0.0 111.221 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.51 -32.31 71.37 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.679 -177.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 29.6 m -59.66 -33.75 52.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.755 0.312 . . . . 0.0 111.25 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -67.04 -44.64 79.66 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 178.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.4 -47.32 86.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.66 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.4 ' HA ' ' CG2' ' A' ' 81' ' ' VAL . 53.4 ttp180 -54.68 -47.96 72.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.625 -177.088 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -76.48 -30.86 57.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.691 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -71.39 -41.33 69.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.275 -173.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.561 ' HA ' ' NH1' ' A' ' 99' ' ' ARG . 50.1 m-85 -102.35 6.32 40.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.528 -174.013 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 61.21 58.26 14.35 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.606 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.609 HG21 ' SD ' ' A' ' 67' ' ' MET . 67.3 t -73.67 117.86 18.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.122 0.486 . . . . 0.0 110.893 -178.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -134.99 35.09 3.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.963 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -149.76 -177.1 5.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.012 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.888 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 63.8 m-85 -92.16 -56.17 0.25 Allowed Pre-proline 0 C--N 1.327 -0.411 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.662 176.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.888 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 8.8 Cg_endo -90.96 118.29 0.58 Allowed 'Trans proline' 0 N--CA 1.449 -1.1 0 C-N-CA 122.369 2.046 . . . . 0.0 111.252 170.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.575 ' HB ' ' HB2' ' A' ' 31' ' ' CYS . 6.5 m -116.14 121.14 41.26 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.887 0.375 . . . . 0.0 110.528 -178.338 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.683 HD11 ' HB2' ' A' ' 103' ' ' ALA . 5.9 mp -97.93 108.99 21.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.192 -175.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.583 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 3.9 mm? -95.79 130.62 42.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.157 0.503 . . . . 0.0 111.254 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -120.35 105.02 10.5 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.731 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.7 mp -118.08 140.08 42.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.49 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -82.83 172.02 13.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.575 -178.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.2 m -62.48 -18.91 62.9 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.941 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.4 m -89.07 2.5 53.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.227 -178.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 82.47 0.72 90.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.368 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -91.88 159.82 15.59 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.3 m -90.91 137.05 22.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.152 0.501 . . . . 0.0 110.758 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 42.9 t -96.42 -55.33 6.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.914 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -141.52 144.01 34.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.686 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.561 ' NH1' ' HA ' ' A' ' 79' ' ' TYR . 47.2 mtt180 -108.91 141.02 41.59 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 177.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.476 HD23 HD22 ' A' ' 87' ' ' LEU . 45.0 tp -152.46 111.23 3.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.159 0.504 . . . . 0.0 111.862 -175.069 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.517 HG12 HG23 ' A' ' 86' ' ' THR . 25.1 m -101.15 128.35 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.793 172.166 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.72 135.71 8.99 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.537 -176.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.683 ' HB2' HD11 ' A' ' 87' ' ' LEU . . . -118.67 143.23 46.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.901 0.381 . . . . 0.0 111.473 -174.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.496 ' HB3' ' HB2' ' A' ' 108' ' ' GLU . 70.3 mm-40 -105.1 -175.34 2.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.294 176.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.451 ' HA ' HG12 ' A' ' 46' ' ' VAL . 1.2 p-10 -75.9 173.36 11.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.8 175.275 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.528 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -51.56 -50.87 74.45 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -172.145 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 43.3 Cg_exo -58.2 -46.41 25.37 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.857 1.704 . . . . 0.0 112.473 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 104' ' ' GLU . 31.0 mm-40 -71.91 -27.9 63.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.082 -179.208 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 45.0 tp -60.08 -57.56 12.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.036 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.405 ' HA ' HG22 ' A' ' 113' ' ' VAL . 93.7 mt -60.92 -31.77 71.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.578 178.348 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.459 ' O ' ' HG ' ' A' ' 115' ' ' LEU . 23.1 tptm -62.37 -52.05 65.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.414 177.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -69.54 -37.77 77.22 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -175.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.405 HG22 ' HA ' ' A' ' 110' ' ' LEU . 35.5 m -64.36 -39.75 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.223 0 CA-C-N 118.096 0.407 . . . . 0.0 111.173 -179.449 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -67.61 -34.47 77.06 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.268 176.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 97.4 mt -73.48 -33.27 64.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.052 0.454 . . . . 0.0 110.768 178.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -69.24 -42.04 76.96 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.859 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 32.4 m -90.27 -19.36 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 122.721 -0.282 . . . . 0.0 111.015 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 C--O 1.234 0.256 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.365 -174.979 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.053 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.0 mt -80.96 115.62 23.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.82 118.63 30.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.669 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.636 ' HE2' ' HE2' ' A' ' 47' ' ' PHE . 96.6 m-85 -91.34 141.34 28.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.549 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.599 ' HG2' ' O ' ' A' ' 62' ' ' ASN . 19.4 ptp180 -103.69 121.03 42.12 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.151 0.501 . . . . 0.0 109.666 177.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -87.56 101.82 13.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.177 0.513 . . . . 0.0 111.03 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.8 mt -125.33 165.24 18.72 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.385 174.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.427 ' HB2' ' HG2' ' A' ' 15' ' ' GLU . 3.0 m -67.31 154.61 40.91 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 173.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.445 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 89.8 t80 -53.86 -54.56 45.29 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-O 119.694 -0.193 . . . . 0.0 111.357 -178.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 19.5 Cg_endo -59.7 -38.17 82.76 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 121.96 1.773 . . . . 0.0 112.526 176.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.427 ' HG2' ' HB2' ' A' ' 12' ' ' SER . 55.3 mm-40 -60.14 -51.55 69.12 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.091 0.472 . . . . 0.0 111.066 178.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HB2' HD13 ' A' ' 63' ' ' LEU . . . -68.61 -35.0 76.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.93 -177.317 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.5 tp -63.45 -41.38 98.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.455 0.645 . . . . 0.0 109.448 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -60.56 -45.59 93.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.406 176.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -58.71 -41.74 87.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.919 175.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.66 -32.93 73.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.053 0.454 . . . . 0.0 110.936 177.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -67.65 -50.07 59.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.1 t -73.88 -43.41 52.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.722 -174.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -78.5 -17.73 55.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.936 -178.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.2 t70 67.35 21.23 9.84 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.505 0.669 . . . . 0.0 111.306 173.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -109.57 165.21 11.84 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.055 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.414 HD12 ' HE1' ' A' ' 60' ' ' PHE . 91.3 mt -74.9 143.11 43.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.677 -177.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.624 ' HB3' HG23 ' A' ' 90' ' ' ILE . 60.4 tp -90.58 113.97 26.11 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.776 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -90.94 106.0 18.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.326 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.657 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 39.5 t -93.3 110.43 23.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 120.929 0.395 . . . . 0.0 110.81 -176.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -91.06 107.87 19.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.09 176.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.9 m -116.59 113.51 22.82 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.105 176.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -129.93 155.42 46.09 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.075 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.06 157.66 16.59 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 176.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.8 p -57.48 -28.43 63.38 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -176.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 13.7 m-90 -67.97 102.63 1.32 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.958 0.408 . . . . 0.0 109.933 175.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.7 m -90.65 110.64 21.8 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -176.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.15 -94.83 0.72 Allowed Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.726 178.02 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.575 ' HG2' ' HG3' ' A' ' 85' ' ' PRO . 13.0 Cg_endo -57.82 -28.35 81.98 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 123.003 2.469 . . . . 0.0 112.499 177.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.6 t -64.68 -27.37 68.87 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.554 178.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -70.22 -42.15 72.67 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -60.16 -45.59 92.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.245 0.545 . . . . 0.0 109.682 176.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.579 HD13 ' HB1' ' A' ' 103' ' ' ALA . 45.7 tp -56.98 -51.98 67.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.928 178.274 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.69 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 21.1 m -66.57 -31.14 71.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.416 -177.462 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -66.32 -36.62 83.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.51 -176.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.575 HG13 HG23 ' A' ' 46' ' ' VAL . 13.1 p -105.31 -45.55 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -173.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.575 HG23 HG13 ' A' ' 45' ' ' VAL . 61.7 t -79.17 -43.16 24.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.072 -175.069 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.69 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 8.2 m-85 -80.28 38.73 0.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -171.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -134.42 -10.63 2.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.079 0.466 . . . . 0.0 110.555 173.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.438 ' OD1' ' HG ' ' A' ' 51' ' ' LEU . 12.1 t70 -85.41 131.86 34.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.921 -175.38 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.1 t -70.92 -55.53 8.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.8 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.517 ' H ' HD23 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -70.87 -39.32 72.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.806 -170.585 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 82.3 t -63.15 -45.45 98.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.856 0.36 . . . . 0.0 110.291 177.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.37 -45.93 88.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -59.68 -44.42 93.64 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.642 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -55.32 -50.44 69.6 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.048 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -68.19 -49.16 62.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.12 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -62.03 -30.07 70.71 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.838 0.351 . . . . 0.0 111.533 -175.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -80.98 -46.19 15.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.698 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -87.2 -21.98 25.55 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -173.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.414 ' HE1' HD12 ' A' ' 26' ' ' LEU . 41.8 m-85 -128.13 134.55 49.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.525 HG23 HD12 ' A' ' 27' ' ' LEU . 3.8 m -83.57 110.28 18.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.305 0.574 . . . . 0.0 109.684 174.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.599 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 18.9 m120 -80.59 103.45 10.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.174 -172.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.43 ' HG ' ' HG3' ' A' ' 65' ' ' MET . 58.1 tp -99.83 127.99 45.95 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.748 -178.21 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -93.32 117.51 30.17 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.419 176.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.43 ' HG3' ' HG ' ' A' ' 63' ' ' LEU . 86.7 mtp -127.75 112.99 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.084 0.469 . . . . 0.0 110.604 177.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.575 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 4.4 m-20 -68.37 136.06 52.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.432 179.155 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 50.6 mtt -74.22 -15.57 60.99 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.259 0.552 . . . . 0.0 111.116 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -114.49 36.39 3.8 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.095 0.95 . . . . 0.0 109.626 -174.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.592 ' HG2' ' H ' ' A' ' 70' ' ' GLY . 77.4 tttt -105.84 -179.74 4.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.027 -1.442 . . . . 0.0 110.126 -176.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.592 ' H ' ' HG2' ' A' ' 69' ' ' LYS . . . -58.69 -31.32 67.22 Favored Glycine 0 C--N 1.334 0.451 0 C-N-CA 121.684 -0.293 . . . . 0.0 112.906 179.012 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.541 ' O ' HD23 ' A' ' 75' ' ' LEU . 2.9 mp0 -107.43 7.43 28.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.023 0.44 . . . . 0.0 110.173 176.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.95 -46.1 68.89 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.962 -0.637 . . . . 0.0 113.342 -172.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.3 m -69.2 -22.64 26.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.503 0.192 . . . . 0.0 110.813 -175.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.64 -54.9 24.53 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 174.152 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' ' 71' ' ' GLU . 2.5 mm? -58.39 -36.0 72.87 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.655 178.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.463 ' HG2' ' CG2' ' A' ' 81' ' ' VAL . 12.0 mtp180 -58.62 -44.37 89.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.644 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -76.5 -41.3 47.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.042 0.448 . . . . 0.0 110.459 178.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -57.8 -49.21 77.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.256 -176.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -104.01 2.94 32.84 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.846 -176.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 53.31 63.89 4.67 Favored Glycine 0 C--N 1.333 0.412 0 CA-C-N 115.528 -0.76 . . . . 0.0 113.03 176.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.495 HG12 HG21 ' A' ' 86' ' ' THR . 19.3 m -83.36 143.35 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-O 121.085 0.469 . . . . 0.0 110.895 -177.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -137.37 -22.03 1.15 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.312 176.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.1 176.82 6.82 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 174.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.597 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 36.1 m-85 -91.15 -49.19 0.34 Allowed Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.25 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.597 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 98.6 Cg_endo -90.05 110.04 0.41 Allowed 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 121.508 1.472 . . . . 0.0 112.212 174.432 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.495 HG21 HG12 ' A' ' 81' ' ' VAL . 37.8 m -131.71 118.28 19.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.923 0.392 . . . . 0.0 110.691 -179.193 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.585 HD12 HD23 ' A' ' 100' ' ' LEU . 82.6 mt -109.07 143.36 38.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.536 -175.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.657 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 3.0 mm? -128.63 141.81 51.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.882 0.373 . . . . 0.0 111.485 -177.626 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -115.99 114.87 25.2 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.241 174.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.624 HG23 ' HB3' ' A' ' 27' ' ' LEU . 15.3 tt -130.03 145.68 35.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.918 0.389 . . . . 0.0 111.41 -173.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -80.88 169.74 17.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.917 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -63.7 -27.07 68.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.171 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 p -81.89 -7.43 59.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.537 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.571 ' HA2' HD11 ' A' ' 90' ' ' ILE . . . 90.32 32.81 9.2 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.305 -0.95 . . . . 0.0 112.082 -177.161 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -104.28 130.67 52.09 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.471 -0.196 . . . . 0.0 110.471 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.2 t -86.71 114.53 26.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 27.3 m -88.86 -28.1 5.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.14 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -165.54 138.26 4.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.139 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.594 ' HD2' ' H ' ' A' ' 99' ' ' ARG . 0.8 OUTLIER -112.12 140.51 46.75 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 175.534 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.585 HD23 HD12 ' A' ' 87' ' ' LEU . 33.0 tp -124.73 126.79 46.23 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.012 0.434 . . . . 0.0 110.997 -176.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 49.1 t -124.03 109.91 24.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.784 177.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.12 158.26 19.77 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.475 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.579 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -145.41 115.06 7.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.077 0.465 . . . . 0.0 111.534 -174.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -100.94 -174.9 2.73 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.064 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.24 162.93 3.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 177.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.591 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -47.63 -54.24 24.44 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -172.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.591 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 25.4 Cg_exo -62.67 -38.58 49.29 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.689 1.593 . . . . 0.0 111.953 -179.165 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -69.11 -44.51 72.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.571 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.408 HD22 HD11 ' A' ' 42' ' ' LEU . 37.6 tp -60.14 -50.56 73.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.978 178.069 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.482 ' HA ' HG22 ' A' ' 113' ' ' VAL . 54.0 tp -60.23 -37.33 80.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.07 179.521 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.463 ' O ' HD23 ' A' ' 115' ' ' LEU . 26.1 tptp -60.66 -45.52 93.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.006 0.432 . . . . 0.0 109.995 178.585 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -61.0 -53.91 51.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.528 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.482 HG22 ' HA ' ' A' ' 110' ' ' LEU . 17.9 m -67.88 -34.63 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.212 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.916 -175.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.543 ' O ' ' HB2' ' A' ' 118' ' ' GLU . 23.5 ttmm -63.43 -39.8 95.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.783 0.325 . . . . 0.0 110.891 -179.323 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 111' ' ' LYS . 4.5 mm? -75.71 -12.6 60.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.978 0.418 . . . . 0.0 110.983 178.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -91.58 -44.53 4.25 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.383 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 62.4 t -84.15 -43.64 17.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -176.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.543 ' HB2' ' O ' ' A' ' 114' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.235 0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 111.574 -177.018 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.545 0 CA-C-O 121.096 0.276 . . . . 0.0 113.545 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.46 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 64.9 mt -81.21 121.1 34.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.014 0.435 . . . . 0.0 110.214 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.83 103.19 15.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.597 -177.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.767 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 64.2 m-85 -83.72 119.42 24.77 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.039 178.265 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -83.53 119.11 24.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.761 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -80.98 97.0 7.28 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.14 -178.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.479 HD22 ' HG2' ' A' ' 15' ' ' GLU . 94.5 mt -122.38 167.32 13.43 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.063 -178.157 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.468 ' OG ' ' HB2' ' A' ' 15' ' ' GLU . 49.7 p -82.39 176.69 9.23 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 176.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -57.84 -56.97 29.07 Favored Pre-proline 0 CA--C 1.54 0.564 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.49 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -64.33 -36.69 43.98 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 121.794 1.663 . . . . 0.0 112.279 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.479 ' HG2' HD22 ' A' ' 11' ' ' LEU . 6.4 tp10 -58.9 -49.58 77.24 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.786 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.88 99.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.435 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 17' ' ' LEU . 1.3 tm? -61.22 -49.77 75.78 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.425 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -60.9 -40.87 94.72 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.899 177.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.476 ' HA ' HG22 ' A' ' 22' ' ' VAL . 10.3 tpp180 -60.98 -43.66 98.5 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.045 -178.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.512 ' HA ' HG21 ' A' ' 61' ' ' VAL . . . -62.67 -35.63 80.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.918 0.389 . . . . 0.0 110.793 178.438 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -76.14 -43.33 43.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.471 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.476 HG22 ' HA ' ' A' ' 19' ' ' ARG . 35.9 m -69.46 -29.8 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -175.269 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -94.51 -16.7 23.09 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.165 174.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.9 t70 56.19 71.66 0.55 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.294 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.449 ' HB2' HG23 ' A' ' 61' ' ' VAL . 96.8 mttt -143.05 174.55 10.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.603 -177.381 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.444 HD12 ' HE1' ' A' ' 60' ' ' PHE . 91.2 mt -81.27 135.24 35.71 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 176.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.5 tp -90.65 113.04 25.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.781 -176.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -99.47 108.42 20.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.347 176.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.536 ' HB ' ' HB3' ' A' ' 88' ' ' LEU . 31.3 t -99.7 113.39 34.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.519 -177.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -87.14 109.67 19.61 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 175.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.521 ' HB2' ' HB ' ' A' ' 86' ' ' THR . 62.4 m -110.39 111.87 23.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.849 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.456 ' O ' ' HB2' ' A' ' 67' ' ' MET . 45.4 p90 -123.14 154.11 39.09 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.844 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.723 ' HB ' ' HD1' ' A' ' 35' ' ' TRP . 12.6 p -99.63 160.39 14.33 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.149 0.5 . . . . 0.0 110.917 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.06 11.54 6.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.189 -177.299 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.723 ' HD1' ' HB ' ' A' ' 33' ' ' THR . 35.2 m95 -76.11 -74.84 0.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.062 -175.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.8 m -119.31 -164.04 1.02 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -177.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.09 61.92 0.63 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.411 -0.9 . . . . 0.0 113.233 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -66.62 -26.49 46.28 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.208 1.938 . . . . 0.0 110.888 175.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.2 m -68.71 -26.79 65.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.513 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -67.88 -44.86 76.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.786 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -63.62 -36.99 85.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.208 176.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.0 tp -60.37 -41.55 93.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.296 175.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.65 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 25.8 m -65.89 -30.39 70.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.334 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -59.3 -45.22 91.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.042 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.7 t -97.67 -51.29 10.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.009 -174.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.9 t -76.92 -46.61 29.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -171.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.65 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 5.0 m-85 -74.7 10.87 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -172.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -104.18 -17.7 14.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.9 0.381 . . . . 0.0 110.485 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.745 ' HB3' HG22 ' A' ' 52' ' ' VAL . 9.2 t70 -72.25 127.67 33.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.062 -178.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.2 m -69.63 -32.1 70.59 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.509 -177.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.6 tp -72.05 -50.19 30.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.051 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.745 HG22 ' HB3' ' A' ' 49' ' ' ASP . 19.6 m -57.21 -39.2 65.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.98 0.419 . . . . 0.0 111.71 -175.33 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.64 -52.89 63.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.316 178.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.63 -34.18 76.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.437 0.636 . . . . 0.0 109.96 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.428 ' O ' ' HB2' ' A' ' 59' ' ' HIS . 42.5 t80 -54.19 -58.72 6.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.623 -1.171 . . . . 0.0 110.56 177.029 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -76.98 -50.01 14.15 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -176.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.401 ' HA ' ' ND2' ' A' ' 62' ' ' ASN . 90.8 m-20 -60.64 -33.65 73.1 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -171.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -89.55 -42.73 11.26 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 55' ' ' TYR . 58.5 m-70 -82.34 -30.56 30.31 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -173.363 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.444 ' HE1' HD12 ' A' ' 26' ' ' LEU . 67.6 m-85 -122.44 166.03 15.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.933 0.397 . . . . 0.0 111.35 -173.305 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.512 HG21 ' HA ' ' A' ' 20' ' ' ALA . 62.1 t -95.19 110.22 23.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 173.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' A' ' 57' ' ' ASN . 33.7 m-80 -92.98 111.14 22.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.907 0.384 . . . . 0.0 110.54 -176.288 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.431 HD23 HG13 ' A' ' 29' ' ' VAL . 50.9 tp -109.89 136.94 48.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.24 -176.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.767 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 56.7 tttm -114.7 122.11 45.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.982 175.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 85.3 mtp -136.27 158.48 44.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.475 0.178 . . . . 0.0 110.584 178.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.95 156.13 17.06 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.25 0.548 . . . . 0.0 110.762 177.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.485 ' SD ' ' HB3' ' A' ' 31' ' ' CYS . 4.8 tpt -95.23 -21.39 18.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.123 -0.944 . . . . 0.0 112.766 -166.551 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -113.98 93.8 4.53 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.825 0.821 . . . . 0.0 109.852 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.439 ' HG2' ' H ' ' A' ' 71' ' ' GLU . 21.8 ttmm -163.3 160.99 24.44 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 113.874 -1.512 . . . . 0.0 107.478 -177.269 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -53.49 -39.9 60.94 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.114 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.439 ' H ' ' HG2' ' A' ' 69' ' ' LYS . 2.4 mp0 -80.4 -37.39 32.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.667 0.27 . . . . 0.0 110.819 177.471 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.88 -43.74 98.79 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.819 -178.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.0 p -67.24 -28.63 43.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.871 0.367 . . . . 0.0 110.562 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -69.3 -46.02 68.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.184 0.516 . . . . 0.0 109.907 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 82.8 mt -67.25 -34.72 78.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.592 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -60.44 -39.15 86.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.213 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -76.33 -36.2 58.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.445 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -63.12 -38.53 91.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.7 -174.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -109.63 -9.16 14.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.287 -176.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.2 26.81 73.72 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.409 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.606 ' HB ' HG21 ' A' ' 86' ' ' THR . 15.7 m -86.67 102.57 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 CA-C-O 121.573 0.702 . . . . 0.0 111.009 -177.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -123.88 77.0 1.49 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.605 0.717 . . . . 0.0 110.553 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.82 -163.36 1.61 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.218 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.889 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 25.4 m-85 -107.92 -58.31 0.05 OUTLIER Pre-proline 0 C--N 1.322 -0.609 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.166 176.308 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.889 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 15.3 Cg_endo -94.8 105.34 0.12 Allowed 'Trans proline' 0 N--CA 1.445 -1.372 0 C-N-CA 122.245 1.963 . . . . 0.0 110.784 169.344 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.606 HG21 ' HB ' ' A' ' 81' ' ' VAL . 23.8 m -117.73 122.79 44.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.003 0.43 . . . . 0.0 111.685 -174.46 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.1 mp -104.04 111.4 23.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.556 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.536 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 40.0 tp -109.84 123.33 49.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.8 -176.444 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -104.27 114.32 28.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.188 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.487 HG22 ' O ' ' A' ' 91' ' ' ASN . 56.0 mt -123.4 145.86 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.454 -176.471 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.553 ' HB2' ' HB2' ' A' ' 95' ' ' GLU . 84.6 m-20 -74.74 167.78 21.14 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 173.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.9 p -68.48 -36.54 79.1 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.698 -172.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 t -80.53 -8.52 59.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.075 0.464 . . . . 0.0 110.699 -178.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 101.17 70.14 0.88 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.525 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.553 ' HB2' ' HB2' ' A' ' 91' ' ' ASN . 49.0 mt-10 -138.2 144.26 40.59 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.515 -0.179 . . . . 0.0 110.515 178.184 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.9 t -77.99 113.92 17.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.671 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.529 HG11 HG13 ' A' ' 117' ' ' VAL . 31.0 t -92.08 -61.5 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.406 178.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -146.09 138.11 25.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.234 -175.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -110.94 113.62 26.32 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.564 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 48.9 tp -120.33 127.57 52.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.069 0.461 . . . . 0.0 111.227 -174.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.1 t -109.04 116.21 51.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.267 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.95 157.47 29.28 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.149 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -125.91 141.55 51.93 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.401 ' H ' HD13 ' A' ' 109' ' ' LEU . 36.8 mt-10 -123.48 -179.46 4.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.754 -174.183 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.97 155.82 15.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.61 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -49.04 -56.58 14.83 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -172.341 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.61 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 27.3 Cg_exo -62.23 -35.93 71.53 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.674 1.582 . . . . 0.0 112.191 -178.313 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 33.9 tt0 -74.08 -40.75 62.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.436 -178.296 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.455 ' O ' HG23 ' A' ' 113' ' ' VAL . 27.3 tp -65.51 -48.83 71.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.325 178.53 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 106' ' ' ALA . 96.5 mt -52.86 -40.37 63.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.667 177.008 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -66.21 -42.01 89.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.5 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 108' ' ' GLU . 33.4 mmtp -65.58 -38.11 88.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.218 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 109' ' ' LEU . 89.6 t -63.67 -52.4 57.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.628 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -63.4 -40.14 96.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 111.174 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 61.4 tp -66.9 -40.95 87.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.383 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -81.31 -44.64 7.9 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.497 -0.858 . . . . 0.0 113.316 -175.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.529 HG13 HG11 ' A' ' 97' ' ' VAL . 59.0 t -81.43 -48.36 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -173.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 121.261 0.553 . . . . 0.0 111.448 -175.228 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.924 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.593 HG22 ' HB3' ' A' ' 47' ' ' PHE . 2.3 tp -96.78 142.29 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.635 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.322 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.91 88.72 3.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.286 0.565 . . . . 0.0 111.097 -176.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 62' ' ' ASN . 96.4 m-85 -65.39 145.42 56.18 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.916 174.571 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.459 ' O ' HD12 ' A' ' 63' ' ' LEU . 33.5 mmt180 -83.77 115.12 22.06 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 175.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.418 ' C ' HD12 ' A' ' 11' ' ' LEU . 24.1 mt-10 -94.18 91.53 6.82 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.555 0.693 . . . . 0.0 109.298 178.1 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.433 HD13 ' HB3' ' A' ' 9' ' ' ARG . 6.1 mp -140.04 168.48 19.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.059 -174.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.4 m -62.02 151.75 34.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.226 175.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.497 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 82.1 t80 -54.95 -52.74 68.33 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -176.364 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 11.5 Cg_endo -55.13 -37.88 93.85 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.252 1.968 . . . . 0.0 112.707 178.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.608 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 55.5 mm-40 -66.73 -47.38 72.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.341 179.247 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.422 ' HB2' HD13 ' A' ' 63' ' ' LEU . . . -58.99 -45.36 90.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.919 0.39 . . . . 0.0 111.057 -178.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.8 tp -63.41 -44.59 94.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.013 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HB2' ' HE3' ' A' ' 18' ' ' LYS . 38.1 ttmt -55.28 -47.4 75.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.529 177.337 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 11.9 mmt180 -63.24 -39.95 96.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.028 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.71 -46.6 78.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.808 0.337 . . . . 0.0 110.482 176.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -54.57 -45.4 73.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.438 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.0 t -85.91 -54.49 8.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -173.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -93.53 -29.35 15.56 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -167.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.463 ' HB3' HG23 ' A' ' 61' ' ' VAL . 6.8 t70 -125.74 -143.99 0.31 Allowed 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.0 -0.68 . . . . 0.0 111.437 -173.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HE3' ' HB3' ' A' ' 25' ' ' LYS . 5.8 ptpp? -129.24 -40.0 1.49 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -170.569 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.42 ' HG ' ' HG3' ' A' ' 25' ' ' LYS . 96.7 mt -142.33 166.16 25.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.794 0.331 . . . . 0.0 110.6 -176.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.565 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 55.6 tp -116.83 112.71 21.48 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.271 179.336 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -92.8 106.58 18.53 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.414 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.786 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 39.0 t -97.96 110.55 25.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.069 0.461 . . . . 0.0 111.134 -175.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -86.65 111.67 20.88 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.597 174.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 65' ' ' MET . 73.2 m -111.52 113.23 25.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.135 0.493 . . . . 0.0 109.992 178.005 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -124.25 156.51 36.74 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.438 0.637 . . . . 0.0 110.921 -175.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.409 ' C ' ' H ' ' A' ' 35' ' ' TRP . 22.4 m -101.95 159.47 15.33 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.549 171.107 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.7 t -65.65 2.82 0.87 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.181 0.515 . . . . 0.0 111.557 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.443 ' HD1' ' HD2' ' A' ' 38' ' ' PRO . 58.7 t-105 -59.5 125.51 23.92 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.235 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.6 p -83.2 27.72 0.56 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.268 -0.423 . . . . 0.0 112.005 -174.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.01 -113.06 3.66 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.644 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.522 ' HB2' ' HG3' ' A' ' 85' ' ' PRO . 72.7 Cg_exo -50.45 -38.61 53.9 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.673 2.915 . . . . 0.0 113.809 -177.204 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 70.1 m -59.7 -33.87 72.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.776 0.322 . . . . 0.0 111.475 -178.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -79.99 -43.71 21.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.899 0.381 . . . . 0.0 110.678 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -62.7 -37.41 86.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.639 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.474 HD13 ' HB1' ' A' ' 103' ' ' ALA . 60.4 tp -57.01 -44.08 82.45 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.965 178.284 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.0 m -70.98 -30.78 67.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -82.08 -28.41 32.36 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -175.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.1 t -95.0 -54.24 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.541 -0.463 . . . . 0.0 111.566 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.67 HG11 HD23 ' A' ' 109' ' ' LEU . 47.9 t -83.82 -58.69 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.881 -173.008 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.593 ' HB3' HG22 ' A' ' 6' ' ' ILE . 25.0 m-85 -78.57 -11.27 59.95 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -169.385 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -77.65 -23.82 49.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.078 0.466 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -73.25 128.61 35.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.039 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.1 m -57.62 -42.61 83.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.842 -176.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.1 mp -71.54 -42.33 68.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.732 0.301 . . . . 0.0 110.922 -177.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.411 HG13 HD11 ' A' ' 110' ' ' LEU . 75.5 t -69.76 -45.35 77.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.388 -178.285 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.79 -46.02 88.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.969 0.414 . . . . 0.0 110.578 177.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.37 -40.49 96.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.401 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -59.61 -48.74 80.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.662 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -66.24 -42.9 87.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.221 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.586 ' HB2' HD11 ' A' ' 6' ' ' ILE . 25.8 t-20 -61.48 -39.76 92.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.81 -177.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.798 ' NE ' ' HA ' ' A' ' 58' ' ' ARG . 1.3 mmp_? -89.04 -23.76 22.49 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -176.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -87.88 -23.2 24.02 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.166 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.408 ' HD2' ' HB2' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -150.9 167.22 28.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.463 HG23 ' HB3' ' A' ' 24' ' ' ASP . 78.3 t -85.66 120.55 35.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 171.339 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.533 HD22 ' N ' ' A' ' 62' ' ' ASN . 0.8 OUTLIER -84.84 119.77 25.7 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.83 -176.034 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 9' ' ' ARG . 46.1 tp -114.68 138.08 51.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.143 179.034 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.463 ' HB2' ' CB ' ' A' ' 8' ' ' PHE . 37.0 ttmt -105.75 127.98 53.42 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 177.182 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.474 ' HG2' HD22 ' A' ' 75' ' ' LEU . 55.3 tpp -137.95 136.82 37.36 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.836 -178.673 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.447 ' O ' ' HA3' ' A' ' 72' ' ' GLY . 18.6 t70 -87.12 156.26 19.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 176.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 13.1 mmt -78.34 -15.54 58.62 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.746 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -119.14 -55.95 2.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.539 -177.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HD2' ' HA ' ' A' ' 69' ' ' LYS . 44.1 tptt -88.82 162.58 16.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.709 -175.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . 73.42 29.0 64.66 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.342 178.338 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 0.8 OUTLIER 68.62 20.09 8.4 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.837 0.351 . . . . 0.0 110.618 -177.756 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.447 ' HA3' ' O ' ' A' ' 66' ' ' ASP . . . -55.24 -32.41 57.23 Favored Glycine 0 C--N 1.333 0.404 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.879 178.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.4 p -59.32 -29.83 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-O 120.658 0.266 . . . . 0.0 111.293 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.42 -42.72 78.52 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.474 HD22 ' HG2' ' A' ' 65' ' ' MET . 6.7 mp -72.11 -40.34 68.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.244 178.602 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -56.03 -45.62 79.09 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.508 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -71.04 -34.48 71.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.333 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -67.33 -41.82 84.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.883 -172.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -105.12 8.39 34.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.302 -173.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 59.8 35.2 85.72 Favored Glycine 0 C--N 1.332 0.316 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.93 175.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.438 HG21 ' OG1' ' A' ' 86' ' ' THR . 7.4 p -94.96 129.86 44.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.139 0.495 . . . . 0.0 111.002 -176.125 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -113.22 -3.23 13.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.877 176.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.21 173.05 12.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.373 -175.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.718 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 81.7 m-85 -92.33 -50.21 0.29 Allowed Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.828 -177.365 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.718 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 88.9 Cg_endo -94.81 133.15 0.63 Allowed 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 122.132 1.888 . . . . 0.0 111.923 173.064 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.438 ' OG1' HG21 ' A' ' 81' ' ' VAL . 40.1 m -150.94 129.4 12.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.091 0.472 . . . . 0.0 111.622 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.469 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 7.2 mp -104.72 116.14 31.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.018 178.154 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.786 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 92.0 mt -106.19 133.95 50.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.705 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.42 ' CZ ' HG22 ' A' ' 113' ' ' VAL . 41.5 m-85 -113.31 106.33 14.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.207 -179.04 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.565 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 36.9 mm -107.49 136.81 41.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.194 -176.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.406 ' O ' HG22 ' A' ' 90' ' ' ILE . 35.1 p30 -90.66 176.68 6.58 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 174.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.0 m -62.91 -18.37 62.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.821 0.343 . . . . 0.0 111.491 -177.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.9 t -77.89 -15.63 58.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.046 0.451 . . . . 0.0 110.473 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 89.88 20.2 44.29 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.693 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -120.29 163.68 17.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.661 0.267 . . . . 0.0 110.407 -177.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.2 m -93.53 142.16 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.092 0.472 . . . . 0.0 111.799 -176.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 31.3 m -105.68 -24.25 4.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.329 173.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -161.68 147.62 13.78 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.693 -177.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -123.56 126.08 46.02 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 176.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.469 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 50.4 tp -114.55 109.17 17.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.022 0.439 . . . . 0.0 110.78 -179.037 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 61.2 t -95.94 113.66 30.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.307 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.22 -155.87 16.01 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.474 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -150.61 149.18 29.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.066 0.46 . . . . 0.0 111.497 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.416 ' H ' HD13 ' A' ' 109' ' ' LEU . 76.9 mm-40 -115.18 179.35 3.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.113 175.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -80.21 174.94 11.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 174.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.571 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -53.79 -54.98 40.43 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -172.1 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.571 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 24.2 Cg_exo -63.22 -44.32 15.55 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 121.781 1.654 . . . . 0.0 112.826 -177.123 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -74.62 -27.29 60.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.989 -176.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.67 HD23 HG11 ' A' ' 46' ' ' VAL . 17.8 tp -64.83 -47.01 79.54 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 178.066 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 10.5 mp -56.61 -38.0 71.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.435 175.138 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -63.04 -45.9 90.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.375 178.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -58.47 -46.44 86.61 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.951 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 109' ' ' LEU . 43.5 t -67.57 -43.81 86.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.823 -179.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 110' ' ' LEU . 39.1 tttm -64.19 -46.12 85.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.096 -175.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 87.5 mt -76.51 -18.87 58.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.909 0.385 . . . . 0.0 110.704 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -75.91 -31.05 56.66 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.253 178.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 33.5 m -99.19 0.21 10.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.024 0.44 . . . . 0.0 110.9 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.122 179.039 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.662 ' HA2' ' O ' ' A' ' 47' ' ' PHE . . . . . . . . 0 N--CA 1.446 -0.678 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.967 HG13 ' HA ' ' A' ' 47' ' ' PHE . 52.3 mt -68.49 125.81 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 117.22 0.51 . . . . 0.0 110.361 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.49 83.4 6.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.886 0.374 . . . . 0.0 111.093 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.635 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 17.2 m-85 -71.36 121.34 18.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.911 174.288 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.494 ' O ' HD12 ' A' ' 63' ' ' LEU . 28.7 mtt180 -94.48 124.15 38.34 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.837 -174.298 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -100.63 95.3 6.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.516 0.674 . . . . 0.0 111.285 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -110.69 169.03 9.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.63 177.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.414 ' HA ' ' OE2' ' A' ' 71' ' ' GLU . 19.7 m -67.36 146.89 53.62 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 175.071 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.452 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 81.1 t80 -57.05 -55.03 48.29 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -174.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 17.7 Cg_endo -57.85 -40.38 79.04 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.891 1.727 . . . . 0.0 112.034 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -63.21 -49.6 73.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.41 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.14 -37.65 88.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.892 -177.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.9 tp -65.16 -42.91 93.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.487 0.661 . . . . 0.0 109.962 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -57.87 -50.33 73.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.002 175.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -58.95 -46.08 88.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.503 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.65 -39.51 68.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 111.386 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.455 ' HA ' ' OG ' ' A' ' 92' ' ' SER . 37.3 tt0 -70.08 -45.47 66.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.914 -178.219 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.2 m -75.66 -28.07 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.942 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -77.83 -18.73 55.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.9 t70 59.26 50.79 7.46 Favored 'General case' 0 N--CA 1.46 0.056 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.644 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HB3' ' HA ' ' A' ' 60' ' ' PHE . 43.7 mmtm -137.13 153.6 50.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.801 -178.303 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.738 ' HB2' ' HB3' ' A' ' 60' ' ' PHE . 88.8 mt -64.01 141.71 58.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.134 175.504 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.595 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 61.0 tp -92.33 101.2 13.68 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.414 ' CZ ' HD22 ' A' ' 87' ' ' LEU . 88.4 t80 -92.51 107.29 19.1 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.007 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.584 HG22 HD23 ' A' ' 63' ' ' LEU . 38.4 t -102.68 124.21 56.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.021 -176.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -99.92 117.84 35.08 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.264 175.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 75.9 m -122.52 111.76 17.21 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 173.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -112.53 154.36 26.06 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.106 0.479 . . . . 0.0 111.368 -174.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.454 HG21 ' HA ' ' A' ' 83' ' ' ALA . 35.7 m -100.27 149.05 23.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.107 175.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.8 p -70.93 16.42 0.09 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.425 ' H ' ' C ' ' A' ' 33' ' ' THR . 8.0 t90 -67.21 -23.32 65.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.278 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.9 m 59.78 29.71 19.27 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.327 175.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.47 -108.24 1.54 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.213 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.94 -31.38 81.51 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.758 2.305 . . . . 0.0 112.494 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 76.5 m -55.72 -48.02 75.89 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.811 0.339 . . . . 0.0 111.536 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -75.36 -37.0 60.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.819 0.342 . . . . 0.0 110.821 -174.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 41' ' ' ARG . 19.4 mtm180 -71.07 -33.23 70.04 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.579 178.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.792 HD11 HD22 ' A' ' 109' ' ' LEU . 43.8 tp -63.0 -45.34 92.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.071 0.462 . . . . 0.0 109.807 174.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.729 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 33.8 m -61.04 -30.7 70.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.9 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -78.73 -22.19 46.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.371 -177.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.466 HG12 ' HB2' ' A' ' 106' ' ' ALA . 65.7 t -108.29 -53.92 6.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -174.04 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 42' ' ' LEU . 8.7 p -79.76 -31.13 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.489 -171.171 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.967 ' HA ' HG13 ' A' ' 6' ' ' ILE . 10.0 m-85 -68.75 -29.01 67.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.267 0.556 . . . . 0.0 110.21 178.026 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -70.18 -25.78 63.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.792 -174.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -89.62 107.92 19.37 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.471 -177.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.0 m -69.43 -31.0 69.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.321 -177.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.73 -44.7 85.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 0.0 110.33 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.4 t -68.65 -38.49 79.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.561 177.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.468 ' HB2' HG12 ' A' ' 6' ' ' ILE . . . -57.56 -50.73 72.14 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 177.642 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -34.73 78.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.239 179.05 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -59.75 -48.4 81.81 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.346 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -61.14 -55.44 32.34 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.648 177.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -61.07 -30.57 70.42 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -174.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -68.54 -46.76 68.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.747 0.308 . . . . 0.0 110.951 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -81.98 -31.46 31.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.009 -173.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.738 ' HB3' ' HB2' ' A' ' 26' ' ' LEU . 9.0 p90 -155.4 157.96 37.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.212 0.53 . . . . 0.0 111.787 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.8 m -80.72 133.69 28.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.858 -177.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -92.75 106.86 18.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.615 -178.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.584 HD23 HG22 ' A' ' 29' ' ' VAL . 45.1 tp -110.19 128.53 55.53 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.113 -178.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.635 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 26.4 ttpp -113.02 126.92 56.01 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.229 177.572 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 79.1 mtp -136.77 113.75 10.51 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -66.94 155.67 37.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.309 -174.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 61.3 mtt -78.77 -10.15 59.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.293 175.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -113.21 21.6 15.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.769 0.795 . . . . 0.0 109.49 175.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -93.05 158.94 15.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.699 174.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.31 -56.44 23.38 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.308 -0.473 . . . . 0.0 113.195 -176.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.414 ' OE2' ' HA ' ' A' ' 12' ' ' SER . 26.9 mt-10 -75.97 -12.42 60.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.032 0.444 . . . . 0.0 110.737 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.16 -31.14 75.77 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.618 -178.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 35.6 m -55.54 -38.53 49.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -177.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -73.31 -45.13 57.2 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.322 -178.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 46.4 mt -62.73 -41.5 99.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.172 0.511 . . . . 0.0 110.499 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.653 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 51.9 ttp180 -57.09 -47.15 81.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.249 179.044 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.455 ' HB3' ' HE2' ' A' ' 77' ' ' LYS . 31.3 ttpt -74.23 -35.15 63.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.78 -178.023 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -80.79 -48.24 12.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.345 -170.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -92.2 -9.45 42.26 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -171.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.3 84.26 1.79 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.296 -0.954 . . . . 0.0 113.318 174.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.653 ' HB ' ' HG3' ' A' ' 76' ' ' ARG . 7.5 p -64.85 141.08 18.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.203 0.525 . . . . 0.0 110.655 174.414 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -137.22 -91.7 0.24 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.853 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.454 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -174.73 22.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.701 0.762 . . . . 0.0 109.873 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.592 ' HB3' ' HD2' ' A' ' 85' ' ' PRO . 9.8 m-85 -128.94 -179.45 1.0 Allowed Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.125 -170.381 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.592 ' HD2' ' HB3' ' A' ' 84' ' ' TYR . 58.4 Cg_endo -79.33 116.06 3.55 Favored 'Trans proline' 0 N--CA 1.449 -1.136 0 C-N-CA 121.612 1.541 . . . . 0.0 110.835 165.389 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.4 m -95.33 105.55 17.51 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.87 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.621 HD12 HD23 ' A' ' 100' ' ' LEU . 43.6 mt -94.12 115.65 27.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.434 0.635 . . . . 0.0 109.91 -177.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.566 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 60.7 mt -111.58 123.71 50.78 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.386 -172.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -102.14 110.97 23.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.745 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.595 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 65.3 mt -113.98 138.71 42.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.782 -179.305 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -76.39 167.65 21.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.017 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.455 ' OG ' ' HA ' ' A' ' 21' ' ' GLU . 48.0 t -65.47 -26.75 68.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.72 175.48 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.2 m -77.96 1.79 19.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.322 179.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.96 26.55 62.07 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.423 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -113.14 144.62 42.35 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 -178.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.6 m -78.04 128.71 38.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.86 0.362 . . . . 0.0 110.232 176.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.4 p -106.75 -43.15 6.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -142.14 131.53 23.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.11 0.481 . . . . 0.0 110.465 177.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -108.21 119.93 40.89 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.464 175.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.621 HD23 HD12 ' A' ' 87' ' ' LEU . 50.3 tp -116.04 106.5 13.83 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.172 0.51 . . . . 0.0 110.642 -179.02 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.9 m -103.38 101.68 12.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.327 0.584 . . . . 0.0 109.976 174.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.89 164.41 10.11 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.121 -177.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.5 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -160.27 118.97 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.884 0.373 . . . . 0.0 110.91 -178.192 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -100.33 -175.16 2.85 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.45 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.407 ' OD2' ' HD2' ' A' ' 107' ' ' PRO . 27.5 t70 -54.8 151.98 7.78 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.012 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.59 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -44.42 -54.72 11.5 Favored Pre-proline 0 N--CA 1.476 0.827 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -169.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.59 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 40.1 Cg_exo -58.97 -36.54 96.64 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.978 1.786 . . . . 0.0 112.711 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -74.12 -38.52 63.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.801 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.792 HD22 HD11 ' A' ' 42' ' ' LEU . 50.7 tp -62.46 -53.86 48.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.032 0.444 . . . . 0.0 110.29 176.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 62.2 tp -54.62 -36.29 64.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.828 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -67.15 -41.55 85.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.495 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.6 -34.25 77.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.788 177.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 109' ' ' LEU . 98.9 t -59.89 -42.47 89.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.24 175.667 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -61.55 -41.42 97.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.03 -17.14 63.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.051 177.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -91.31 -43.36 4.65 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.652 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.443 ' O ' ' HB2' ' A' ' 118' ' ' GLU . 64.8 t -67.74 -33.83 64.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-O 120.295 0.093 . . . . 0.0 111.16 -178.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 117' ' ' VAL . 28.4 mm-40 . . . . . 0 C--O 1.233 0.228 0 CA-C-O 121.394 0.616 . . . . 0.0 111.18 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.609 0 N-CA-C 112.711 -0.156 . . . . 0.0 112.711 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.562 HG12 ' HA ' ' A' ' 53' ' ' ALA . 40.6 mt -75.07 141.74 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.12 106.82 14.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.796 0.332 . . . . 0.0 110.776 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.761 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 83.8 m-85 -91.95 133.21 35.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.24 177.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 62' ' ' ASN . 13.8 ptp180 -101.32 137.55 39.51 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.925 0.393 . . . . 0.0 110.217 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -94.12 94.47 8.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.821 -174.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.464 ' O ' HD11 ' A' ' 63' ' ' LEU . 95.0 mt -127.93 161.74 28.39 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.282 -178.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.9 m -70.29 160.72 31.7 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 175.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.424 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 74.1 t80 -58.63 -56.13 38.86 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.596 -177.23 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 18.9 Cg_endo -59.94 -34.26 95.26 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 121.974 1.783 . . . . 0.0 111.943 178.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -63.05 -48.73 77.43 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.385 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.33 -42.37 88.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.484 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.3 tp -57.6 -52.62 64.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.613 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -56.3 -48.26 77.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.784 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -59.49 -40.82 88.27 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.761 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.537 ' HB1' ' O ' ' A' ' 25' ' ' LYS . . . -69.43 -30.74 68.73 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.877 -178.608 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.89 -47.27 78.42 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.05 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.5 m -73.53 -26.19 21.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.576 -177.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -84.3 -15.14 47.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.574 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.5 t70 55.94 70.04 0.68 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.679 0.752 . . . . 0.0 110.139 -173.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.537 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 36.5 ttmt -155.77 153.39 29.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.701 -175.155 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.2 mp -88.02 159.0 18.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.914 0.387 . . . . 0.0 111.195 -176.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.602 ' HB2' ' HB ' ' A' ' 90' ' ' ILE . 3.3 mm? -94.19 122.77 37.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.173 -178.168 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -109.52 102.11 11.0 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 172.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.467 ' HB ' ' HB3' ' A' ' 88' ' ' LEU . 39.7 t -100.94 120.52 50.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.631 -176.149 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -105.18 128.56 53.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.996 0.427 . . . . 0.0 110.227 175.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.549 ' HB2' ' HB ' ' A' ' 86' ' ' THR . 71.1 m -124.03 111.53 16.1 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.254 175.666 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -107.74 157.93 17.71 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 m -99.79 163.54 12.42 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.267 -178.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.8 p -73.48 -22.32 60.19 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -174.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -65.96 160.71 22.94 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.312 178.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.9 p -91.3 173.43 7.92 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.025 -177.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.404 ' HA3' ' HD3' ' A' ' 38' ' ' PRO . . . 118.06 -109.52 1.82 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.363 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.404 ' HD3' ' HA3' ' A' ' 37' ' ' GLY . 52.3 Cg_exo -54.87 -29.1 61.83 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.387 2.725 . . . . 0.0 113.266 -178.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.4 m -61.16 -58.23 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.055 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -63.86 -31.15 72.23 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.992 0.425 . . . . 0.0 110.791 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.401 ' HD2' ' HA ' ' A' ' 41' ' ' ARG . 3.2 tpt180 -56.79 -42.32 79.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.58 178.318 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.472 HD21 ' HB1' ' A' ' 103' ' ' ALA . 94.1 mt -75.89 -43.58 44.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.506 176.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.644 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 50.5 m -51.98 -30.67 26.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.962 -178.29 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -88.99 -46.29 8.99 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.585 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 83.9 t -81.35 -54.18 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -170.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 42' ' ' LEU . 33.4 m -83.1 -21.61 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.276 -0.57 . . . . 0.0 111.536 -174.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.644 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 83.1 m-85 -91.68 32.4 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.178 0.513 . . . . 0.0 111.052 177.368 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -129.83 -59.28 1.07 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.635 173.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -53.19 117.61 3.16 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.844 0.715 . . . . 0.0 111.694 -172.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.3 p -69.19 -29.57 67.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.668 -174.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.8 mt -71.0 -48.34 53.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.34 . . . . 0.0 110.466 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.47 -46.9 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.221 175.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.562 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -60.37 -39.49 87.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.37 179.446 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.96 -45.61 88.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.736 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -61.06 -47.13 87.8 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.152 -176.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -70.43 -48.58 55.29 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -60.11 -30.81 69.51 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.767 0.317 . . . . 0.0 111.38 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.7 ttm-85 -88.21 -53.5 4.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.266 -0.425 . . . . 0.0 112.132 -176.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -84.69 -19.62 32.52 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -169.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -129.6 161.86 29.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.079 0.466 . . . . 0.0 111.498 -175.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.8 t -95.92 110.11 23.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 170.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.514 ' HB3' ' CD1' ' A' ' 8' ' ' PHE . 34.7 m-80 -82.78 104.0 12.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.885 -173.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.464 HD11 ' O ' ' A' ' 11' ' ' LEU . 54.4 tp -100.19 126.82 46.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.523 -178.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.761 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 64.0 tttm -99.28 122.24 42.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.454 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.6 mmt -132.04 123.54 27.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.968 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.593 ' HB2' ' HB3' ' A' ' 69' ' ' LYS . 4.0 m-20 -92.32 149.27 21.53 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.532 175.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 24.7 mmt -67.36 -20.41 65.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.057 0.456 . . . . 0.0 111.201 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -115.85 14.73 16.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.615 -176.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.593 ' HB3' ' HB2' ' A' ' 66' ' ' ASP . 81.0 tttt -129.28 129.06 44.43 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 120.799 0.333 . . . . 0.0 110.628 -175.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.44 -131.39 38.16 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.374 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.459 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 1.8 mp0 -90.63 8.86 32.11 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.013 -0.094 . . . . 0.0 111.092 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.466 ' HA3' ' O ' ' A' ' 66' ' ' ASP . . . -55.16 -40.6 75.45 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 121.416 -0.421 . . . . 0.0 112.759 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.47 -36.71 77.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.772 0.32 . . . . 0.0 110.997 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -71.31 -37.73 71.78 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 92.6 mt -61.8 -39.54 92.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.886 0.374 . . . . 0.0 110.24 177.283 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -57.88 -44.97 87.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.547 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -76.59 -29.49 56.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.939 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -68.62 -49.71 57.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.075 -177.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.449 ' CZ ' HD21 ' A' ' 88' ' ' LEU . 85.3 m-85 -96.72 -4.19 41.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.313 -174.022 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 60.27 41.2 98.24 Favored Glycine 0 C--N 1.332 0.306 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.6 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.496 HG11 HG21 ' A' ' 86' ' ' THR . 26.9 m -78.48 139.33 18.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.803 0.335 . . . . 0.0 110.81 -177.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -127.82 9.05 6.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.679 -176.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.465 ' HB3' ' HB ' ' A' ' 101' ' ' VAL . . . -101.56 179.75 4.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.473 0.177 . . . . 0.0 110.697 -177.285 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.775 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 68.2 m-85 -90.76 -51.48 0.32 Allowed Pre-proline 0 C--O 1.237 0.402 0 CA-C-O 119.52 -0.276 . . . . 0.0 111.071 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.775 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 11.4 Cg_endo -93.24 137.55 1.38 Allowed 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 122.569 2.179 . . . . 0.0 110.978 170.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.549 ' HB ' ' HB2' ' A' ' 31' ' ' CYS . 2.2 m -133.75 114.5 13.47 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.459 -176.093 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.7 mp -103.97 111.71 24.38 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.467 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 16.4 tp -116.81 135.49 53.7 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.044 -173.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.403 ' HZ ' ' HB ' ' A' ' 113' ' ' VAL . 63.6 m-85 -109.06 109.36 20.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.386 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.602 ' HB ' ' HB2' ' A' ' 27' ' ' LEU . 48.6 mm -104.89 130.54 55.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.102 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.41 HD21 ' HG3' ' A' ' 95' ' ' GLU . 8.5 p30 -100.42 -178.42 3.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.983 -178.418 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.3 m -65.14 -19.65 66.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.095 -175.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.2 m -78.18 0.53 24.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.97 0.414 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 73.45 30.87 61.7 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.274 177.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.41 ' HG3' HD21 ' A' ' 91' ' ' ASN . 10.7 pt-20 -143.22 -179.29 6.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.537 0.208 . . . . 0.0 110.681 -178.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 10.2 p -108.93 151.75 11.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.252 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 45.1 t -107.22 -48.25 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 174.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -126.69 125.61 42.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.476 178.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -91.53 126.86 36.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.832 175.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.9 tt -126.47 112.11 15.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.193 0.521 . . . . 0.0 110.283 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.465 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 30.7 m -109.64 140.42 28.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.161 176.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.55 171.05 27.97 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.86 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.472 ' HB1' HD21 ' A' ' 42' ' ' LEU . . . -145.35 161.15 40.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.834 0.317 . . . . 0.0 111.07 -178.275 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.68 ' HG3' ' HD3' ' A' ' 112' ' ' LYS . 29.1 mm-40 -129.64 -174.01 3.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.866 -175.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.441 ' OD1' ' HD2' ' A' ' 107' ' ' PRO . 5.8 t70 -65.26 162.9 16.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 170.587 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.83 -57.01 17.75 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -171.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.441 ' HD2' ' OD1' ' A' ' 105' ' ' ASP . 28.6 Cg_endo -62.98 -39.53 39.88 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.995 1.796 . . . . 0.0 112.799 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -70.42 -38.48 74.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.342 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.401 HD13 ' H ' ' A' ' 104' ' ' GLU . 41.0 tp -58.74 -49.19 78.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.232 0.539 . . . . 0.0 109.767 178.181 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 40.9 tp -58.86 -35.38 72.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.93 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -65.06 -52.28 56.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.337 177.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.68 ' HD3' ' HG3' ' A' ' 104' ' ' GLU . 49.1 mtpt -63.81 -38.0 89.47 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -172.406 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.403 ' HB ' ' HZ ' ' A' ' 89' ' ' PHE . 27.2 m -69.47 -44.63 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.301 0 CA-C-O 120.407 0.146 . . . . 0.0 111.235 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -67.42 -35.22 78.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.071 0.462 . . . . 0.0 111.25 178.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 50.5 tp -66.78 -39.16 87.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.41 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -66.36 -36.04 91.06 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.889 -178.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 34.3 m -92.92 -0.74 10.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -176.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 . . . . . 0 N--CA 1.467 0.413 0 O-C-N 123.455 0.472 . . . . 0.0 111.381 -178.642 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.686 0 CA-C-O 120.992 0.218 . . . . 0.0 112.987 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.537 HG12 ' HA ' ' A' ' 53' ' ' ALA . 62.8 mt -91.12 135.74 26.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.74 0.305 . . . . 0.0 110.516 -177.152 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.65 108.46 20.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.025 0.44 . . . . 0.0 111.148 -178.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -93.15 152.84 19.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.098 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -117.76 152.61 34.95 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.178 177.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -98.61 94.68 6.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.662 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.498 ' O ' HD11 ' A' ' 63' ' ' LEU . 92.8 mt -139.94 164.41 30.09 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 p -89.47 174.44 7.79 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 172.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.508 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 69.7 t80 -59.75 -52.52 73.24 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.249 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 15.7 Cg_endo -57.5 -35.69 98.81 Favored 'Trans proline' 0 C--N 1.359 1.119 0 C-N-CA 122.377 2.051 . . . . 0.0 112.417 176.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.19 -42.5 88.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.96 0.409 . . . . 0.0 111.089 178.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.455 ' HB2' HD22 ' A' ' 63' ' ' LEU . . . -70.92 -35.25 72.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.612 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.5 tp -67.26 -36.56 81.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.377 0.608 . . . . 0.0 109.878 177.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.611 ' HE2' ' HA ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -55.95 -52.31 64.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.743 172.436 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -58.59 -36.38 73.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.861 176.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.448 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -60.37 -35.74 76.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.653 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -69.18 -37.27 78.09 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.483 177.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.2 t -73.72 -56.5 9.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.519 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -77.34 -30.25 53.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.59 -175.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.9 t70 60.38 37.6 19.96 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 122.339 1.066 . . . . 0.0 109.038 -175.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . 35.8 ttmt -112.37 151.8 29.36 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.429 -1.259 . . . . 0.0 109.322 -176.297 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 98.5 mt -66.88 145.71 55.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.899 0.381 . . . . 0.0 110.879 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.469 ' HB2' HG22 ' A' ' 90' ' ' ILE . 3.1 mm? -96.4 130.44 43.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.818 -176.156 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -113.4 103.05 10.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.277 175.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.637 ' HB ' ' HB3' ' A' ' 88' ' ' LEU . 37.3 t -103.11 111.94 34.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.051 0.453 . . . . 0.0 110.858 -177.257 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -84.08 116.5 22.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.012 176.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 82.2 m -114.06 113.3 24.56 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 177.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -111.37 149.3 31.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.33 -173.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.403 ' C ' ' H ' ' A' ' 35' ' ' TRP . 30.4 m -100.88 152.54 20.41 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 169.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.8 p -73.07 15.0 0.23 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.482 ' HD1' ' HD2' ' A' ' 38' ' ' PRO . 62.4 t-105 -75.92 129.56 37.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.455 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 54.1 t -89.92 115.63 27.38 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.228 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 160.55 -98.11 0.16 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.357 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.482 ' HD2' ' HD1' ' A' ' 35' ' ' TRP . 78.3 Cg_exo -50.7 -30.49 29.16 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.735 2.957 . . . . 0.0 113.277 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.1 p -57.95 -41.28 82.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.359 . . . . 0.0 111.232 178.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -72.42 -37.96 68.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.119 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -59.78 -40.31 87.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.339 178.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.633 HD13 ' HB1' ' A' ' 103' ' ' ALA . 43.5 tp -70.41 -55.75 8.3 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.533 177.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.558 ' HA ' ' CD2' ' A' ' 47' ' ' PHE . 13.9 t -59.25 -30.99 68.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.865 -173.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -65.01 -33.98 77.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -176.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.598 HG23 HG13 ' A' ' 46' ' ' VAL . 4.8 m -108.75 -52.75 6.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -175.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.645 HG12 ' HA ' ' A' ' 106' ' ' ALA . 15.7 m -74.61 -26.2 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -169.148 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.558 ' CD2' ' HA ' ' A' ' 43' ' ' SER . 22.6 m-85 -101.66 18.06 21.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.091 0.472 . . . . 0.0 109.975 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -123.49 -34.63 3.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.279 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.42 ' OD2' ' HB2' ' A' ' 51' ' ' LEU . 32.1 t70 -72.99 121.65 20.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.038 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.8 m -69.74 -25.69 63.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.994 -175.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.42 ' HB2' ' OD2' ' A' ' 49' ' ' ASP . 79.8 mt -70.3 -51.13 32.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.964 0.412 . . . . 0.0 110.412 -178.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 84.2 t -63.02 -42.18 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.119 176.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.537 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -58.31 -51.43 69.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.625 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -57.61 -42.44 83.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.159 -178.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -59.46 -48.68 80.7 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.225 -178.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 60' ' ' PHE . 50.6 m-85 -74.6 -41.67 60.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.824 -177.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -57.95 -30.79 66.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.884 0.373 . . . . 0.0 111.34 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.0 ttm105 -88.52 -51.95 5.43 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -89.53 -11.08 43.85 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -168.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.414 ' HD2' ' HA ' ' A' ' 56' ' ' PHE . 98.3 m-85 -130.81 146.69 52.32 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.402 -176.181 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.2 t -87.41 109.79 19.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 169.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -84.07 110.16 18.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.372 0.606 . . . . 0.0 111.259 -172.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.498 HD11 ' O ' ' A' ' 11' ' ' LEU . 58.5 tp -118.56 143.09 47.01 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.855 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -117.21 132.45 56.63 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.343 175.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.9 tpt -129.97 135.82 48.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.819 0.342 . . . . 0.0 111.287 -175.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -69.18 159.85 32.21 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.947 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 43.3 tpp -98.69 -18.47 18.02 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.229 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -114.73 -51.12 2.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.451 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -73.84 131.53 41.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.969 -175.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.31 -147.99 21.88 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.592 -178.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -89.39 18.6 5.1 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 122.572 -0.369 . . . . 0.0 110.926 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -57.64 -36.96 80.96 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 121.149 -0.548 . . . . 0.0 112.28 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 32.3 m -65.15 -25.57 37.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.011 0.434 . . . . 0.0 111.147 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -75.29 -48.36 23.61 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.92 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.4 mp -60.1 -39.1 84.98 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.729 176.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.84 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 55.8 ttp180 -58.77 -43.43 90.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.02 0.438 . . . . 0.0 110.773 178.416 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.1 ttmp? -74.64 -30.21 61.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.13 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -74.84 -44.5 48.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.558 -175.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -95.68 -0.19 51.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.374 -175.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.7 58.67 8.06 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.343 178.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.84 ' HB ' ' HG3' ' A' ' 76' ' ' ARG . 84.7 t -92.64 113.43 27.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.036 0.446 . . . . 0.0 111.217 -176.534 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -120.17 -22.13 6.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.673 174.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.89 177.25 8.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.562 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.706 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 22.8 m-85 -92.49 -53.18 0.27 Allowed Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -172.458 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.706 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 32.8 Cg_endo -93.69 105.6 0.15 Allowed 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 122.179 1.919 . . . . 0.0 111.823 176.535 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.8 m -118.79 121.7 40.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.95 0.405 . . . . 0.0 110.874 -177.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 87' ' ' LEU . 6.5 mp -103.84 119.9 39.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.908 -177.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.637 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 1.3 tt -105.52 121.93 44.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.353 -177.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -111.39 118.82 36.88 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 175.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.469 HG22 ' HB2' ' A' ' 27' ' ' LEU . 13.5 tt -135.83 154.33 34.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.449 -178.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -105.34 177.89 4.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.772 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.4 t -62.25 -28.72 69.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.437 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.0 t -68.98 -22.51 64.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.058 0.456 . . . . 0.0 110.527 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 87.35 23.39 40.48 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.627 -0.797 . . . . 0.0 111.786 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -109.71 149.22 30.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.921 0.391 . . . . 0.0 110.124 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.542 HG11 ' HG3' ' A' ' 99' ' ' ARG . 21.5 t -96.4 107.7 20.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.573 -177.278 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.4 t -71.62 -50.17 41.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 177.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -151.9 136.42 16.91 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.283 0.563 . . . . 0.0 110.952 178.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.542 ' HG3' HG11 ' A' ' 96' ' ' VAL . 13.5 mtm180 -96.98 155.07 16.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.701 174.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 42.8 tp -135.46 107.23 7.01 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.02 0.438 . . . . 0.0 110.445 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.0 m -105.49 101.64 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.705 0.764 . . . . 0.0 110.705 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 117.85 151.49 9.24 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.233 -176.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.633 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -140.67 129.04 22.5 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 122.556 -0.379 . . . . 0.0 110.908 -174.723 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -102.47 -175.12 2.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.38 -176.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.05 164.96 3.61 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.978 178.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.645 ' HA ' HG12 ' A' ' 46' ' ' VAL . . . -48.22 -56.45 14.04 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -173.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -61.9 -42.32 31.71 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.863 1.709 . . . . 0.0 112.551 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -65.49 -43.07 91.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 -178.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.4 tp -64.86 -47.1 79.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.362 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 48.0 tp -53.98 -49.85 67.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.054 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -70.56 -35.75 73.25 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.046 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 112' ' ' LYS . 51.4 tptt -57.57 -42.78 83.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.026 0.441 . . . . 0.0 110.833 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 117' ' ' VAL . 87.9 t -69.67 -47.31 71.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -63.59 -45.37 90.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.273 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 34.5 tp -71.48 -22.6 61.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.17 0.51 . . . . 0.0 110.498 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.6 -19.2 79.95 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.097 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 113' ' ' VAL . 23.1 t -97.8 -51.04 10.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.933 0.397 . . . . 0.0 110.559 178.131 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -177.277 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.435 ' HA3' ' HA ' ' A' ' 47' ' ' PHE . . . . . . . . 0 N--CA 1.448 -0.517 0 N-CA-C 112.003 -0.439 . . . . 0.0 112.003 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.534 ' CD1' ' HA ' ' A' ' 53' ' ' ALA . 28.2 mm -59.75 131.41 24.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 177.32 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -103.43 88.95 3.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.124 176.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.764 ' HB3' ' HB3' ' A' ' 64' ' ' LYS . 53.7 m-85 -74.07 118.31 16.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.299 178.204 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -97.66 155.61 16.92 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.453 -177.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.39 114.27 17.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.828 0.823 . . . . 0.0 111.667 -179.438 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.485 ' HG ' ' HB2' ' A' ' 16' ' ' ALA . 1.4 pt? -137.47 165.85 25.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.24 -0.891 . . . . 0.0 108.899 176.024 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.4 m -57.54 138.7 54.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.31 0.381 . . . . 0.0 110.765 -177.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.634 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 68.7 t80 -50.26 -52.32 55.17 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.123 -177.002 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.634 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 71.2 Cg_exo -49.98 -43.32 42.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 C-N-CA 122.261 1.974 . . . . 0.0 112.789 174.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -68.34 -43.94 76.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.326 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.485 ' HB2' ' HG ' ' A' ' 11' ' ' LEU . . . -67.02 -41.92 85.79 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.034 -176.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.461 HD11 ' HA2' ' A' ' 94' ' ' GLY . 19.8 tp -62.08 -43.45 98.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.305 0.574 . . . . 0.0 110.069 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -62.95 -43.55 98.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.626 176.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.43 ' HA ' HG22 ' A' ' 22' ' ' VAL . 20.0 tpp180 -61.02 -39.41 89.67 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.894 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.433 ' HB2' ' HG ' ' A' ' 27' ' ' LEU . . . -62.81 -40.51 97.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.022 0.439 . . . . 0.0 110.527 176.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -67.16 -45.49 76.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.198 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.43 HG22 ' HA ' ' A' ' 19' ' ' ARG . 35.4 m -72.41 -25.71 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.857 0.361 . . . . 0.0 111.174 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -84.42 -13.71 51.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 110.392 177.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 65.0 29.35 12.26 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.908 -178.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -126.96 176.31 7.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.956 0.408 . . . . 0.0 110.404 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.469 ' HG ' ' HA ' ' A' ' 91' ' ' ASN . 7.3 mp -101.39 157.53 16.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.285 179.12 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.508 HD23 ' HB ' ' A' ' 61' ' ' VAL . 72.9 mt -89.03 115.18 26.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.43 178.547 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.405 ' CZ ' HD12 ' A' ' 87' ' ' LEU . 79.3 t80 -90.81 101.27 14.02 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 172.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.865 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 48.6 t -93.87 113.59 28.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.249 -172.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -79.78 100.98 8.21 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.429 174.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.6 t -103.07 113.29 26.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.455 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -140.1 152.87 46.49 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.19 -177.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.85 155.23 17.49 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.322 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.0 m -71.26 -4.75 27.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.063 0.458 . . . . 0.0 111.637 -174.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -74.96 131.36 40.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.908 176.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.4 t -81.05 114.44 19.92 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.42 ' HA3' ' HD2' ' A' ' 38' ' ' PRO . . . -152.55 -131.77 1.71 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.074 -179.342 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.42 ' HD2' ' HA3' ' A' ' 37' ' ' GLY . 10.1 Cg_endo -54.82 -24.42 38.32 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.353 2.702 . . . . 0.0 112.905 -179.244 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.4 p -60.12 -30.36 69.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.59 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -62.89 -28.99 70.42 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.833 0.349 . . . . 0.0 110.503 -178.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -73.89 -43.2 59.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.912 177.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.611 ' O ' HG12 ' A' ' 46' ' ' VAL . 58.5 tp -62.56 -48.45 79.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.449 178.17 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.493 ' HA ' ' CD2' ' A' ' 47' ' ' PHE . 22.3 m -57.65 -29.21 64.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.247 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -75.23 -29.03 60.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.727 -177.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.3 m -100.27 -49.19 11.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -175.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 42' ' ' LEU . 14.1 p -74.04 -26.74 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.945 0.402 . . . . 0.0 111.791 -171.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.493 ' CD2' ' HA ' ' A' ' 43' ' ' SER . 48.0 m-85 -91.47 15.63 11.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.521 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -125.25 -41.86 2.03 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.635 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.418 ' OD2' HG23 ' A' ' 52' ' ' VAL . 26.3 t70 -73.96 118.04 16.45 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.019 0.438 . . . . 0.0 111.02 -177.419 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.5 m -69.52 -26.28 64.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.91 -175.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.9 tp -69.85 -49.18 55.03 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.606 HG22 HD11 ' A' ' 110' ' ' LEU . 97.5 t -62.06 -39.65 84.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.143 176.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.534 ' HA ' ' CD1' ' A' ' 6' ' ' ILE . . . -56.72 -45.71 81.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.154 178.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -72.41 -41.2 66.5 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.952 0.406 . . . . 0.0 110.798 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -56.53 -52.45 64.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.339 -176.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -75.16 -30.63 60.79 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -178.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -72.14 -40.7 67.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.67 0.271 . . . . 0.0 111.6 -177.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -81.27 -37.34 28.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.599 -174.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -81.25 -36.61 29.72 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -175.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.408 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 82.3 m-85 -129.35 163.29 26.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.957 0.408 . . . . 0.0 111.098 -175.605 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.508 ' HB ' HD23 ' A' ' 27' ' ' LEU . 46.1 t -85.75 122.01 37.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 174.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -81.12 100.48 9.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.207 0.527 . . . . 0.0 110.578 -176.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.489 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 47.9 tp -119.21 125.74 49.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.201 -178.052 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.764 ' HB3' ' HB3' ' A' ' 8' ' ' PHE . 13.6 ptmm? -103.73 141.9 35.28 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 176.463 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 18.7 mmt -137.2 129.29 29.32 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.737 0.303 . . . . 0.0 110.426 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.575 ' O ' ' HA3' ' A' ' 72' ' ' GLY . 2.2 t70 -73.51 157.68 36.31 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 176.394 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 87.0 mtp -94.55 -12.32 27.78 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.058 -178.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -115.59 -42.68 3.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.791 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -83.33 129.38 34.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -177.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.86 -149.01 21.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.47 176.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 1.1 pm0 -84.48 3.08 37.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.796 0.331 . . . . 0.0 110.502 178.096 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.575 ' HA3' ' O ' ' A' ' 66' ' ' ASP . . . -57.84 -31.7 64.87 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.477 178.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.453 HG23 ' NH2' ' A' ' 76' ' ' ARG . 6.7 p -60.61 -33.66 55.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 177.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -67.52 -49.63 62.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.115 -179.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.03 -35.4 80.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.642 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.453 ' NH2' HG23 ' A' ' 73' ' ' VAL . 61.4 ttp180 -55.38 -47.6 75.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.423 178.071 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.419 ' HB3' ' HE3' ' A' ' 77' ' ' LYS . 22.6 ttpp -76.38 -35.16 58.8 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.105 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -66.48 -41.32 89.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.612 -173.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -87.18 -9.06 56.18 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.047 -177.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 62.66 64.39 3.88 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.927 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.416 HG21 ' HG3' ' A' ' 76' ' ' ARG . 32.3 m -72.78 138.75 20.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.214 0.53 . . . . 0.0 112.059 -175.306 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -133.47 18.59 3.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.425 0.631 . . . . 0.0 109.62 171.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.74 167.75 19.57 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.75 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.699 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 77.7 m-85 -92.36 -51.44 0.28 Allowed Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.307 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.699 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 7.4 Cg_endo -88.48 125.64 1.79 Allowed 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 122.197 1.931 . . . . 0.0 111.547 174.469 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 64.1 m -139.55 127.79 22.59 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.762 0.315 . . . . 0.0 110.568 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.569 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 3.0 mm? -97.3 117.01 30.57 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.691 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.865 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 94.7 mt -106.44 133.43 51.13 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.782 -177.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -116.02 106.24 13.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.833 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 65.1 mt -112.44 121.85 65.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.469 ' HA ' ' HG ' ' A' ' 26' ' ' LEU . 22.4 p-10 -84.21 177.08 8.34 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.509 -176.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.1 m -63.05 -22.26 66.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.26 -176.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.8 m -80.73 -0.21 37.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.197 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.461 ' HA2' HD11 ' A' ' 17' ' ' LEU . . . 72.95 34.3 59.0 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.02 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -124.27 150.87 44.88 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.973 0.415 . . . . 0.0 110.76 -177.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.5 t -78.99 93.55 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.543 176.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 9.2 p -72.05 -34.05 49.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.437 -178.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -154.26 147.23 24.51 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.595 177.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -126.38 128.59 47.28 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 177.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.569 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 47.0 tp -120.11 111.62 18.09 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.41 -178.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 60.8 t -93.81 120.01 42.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.257 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.73 159.59 32.75 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.585 -0.816 . . . . 0.0 111.348 -177.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.426 ' HB1' HD22 ' A' ' 42' ' ' LEU . . . -131.24 138.92 49.54 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.109 0.481 . . . . 0.0 110.658 -178.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -112.55 -175.22 2.62 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.715 -174.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.411 ' HB2' ' HB2' ' A' ' 108' ' ' GLU . 18.5 m-20 -59.86 155.22 16.79 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 173.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.589 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -48.39 -54.04 29.4 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.589 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 24.3 Cg_exo -64.13 -38.0 38.9 Favored 'Trans proline' 0 C--N 1.359 1.098 0 C-N-CA 121.783 1.655 . . . . 0.0 112.219 177.329 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.411 ' HB2' ' HB2' ' A' ' 105' ' ' ASP . 1.7 tm-20 -65.83 -33.7 76.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.583 -179.276 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.4 ' O ' HG23 ' A' ' 113' ' ' VAL . 18.9 tp -69.06 -44.03 73.42 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.12 177.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.606 HD11 HG22 ' A' ' 52' ' ' VAL . 94.7 mt -54.88 -47.59 74.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.548 -179.281 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -65.71 -41.42 92.35 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.128 -0.229 . . . . 0.0 111.379 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -57.17 -46.06 83.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.184 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.403 ' O ' HG22 ' A' ' 117' ' ' VAL . 96.2 t -67.13 -48.9 77.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.701 0.286 . . . . 0.0 110.9 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -58.84 -45.88 88.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.425 -176.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 40.1 tp -77.22 -29.77 54.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.985 0.421 . . . . 0.0 111.049 -178.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -68.22 -42.87 82.27 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.149 -0.548 . . . . 0.0 113.348 -175.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 113' ' ' VAL . 35.3 m -89.39 -3.08 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -176.557 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.916 0.389 . . . . 0.0 110.943 179.22 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.837 0 CA-C-O 121.137 0.298 . . . . 0.0 112.875 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.468 HG12 ' HA ' ' A' ' 53' ' ' ALA . 25.6 mt -59.95 138.69 20.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 114.951 -0.625 . . . . 0.0 111.165 -178.169 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -102.68 102.58 12.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.074 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.918 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 80.6 m-85 -90.58 131.33 36.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.107 178.075 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.459 ' HG3' HD13 ' A' ' 11' ' ' LEU . 15.2 ptp180 -108.66 142.18 39.53 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.711 -177.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -93.41 94.16 8.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.786 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.459 HD13 ' HG3' ' A' ' 9' ' ' ARG . 9.9 mp -122.44 167.36 13.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.545 175.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.2 m -73.83 161.9 29.69 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.499 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 38.3 t80 -62.38 -50.69 78.07 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-O 119.481 -0.295 . . . . 0.0 111.133 -178.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 10.1 Cg_endo -55.31 -42.32 69.59 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 122.036 1.824 . . . . 0.0 112.214 174.295 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -57.78 -53.99 51.93 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.129 0.49 . . . . 0.0 110.856 177.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.39 -33.2 75.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.109 -177.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.9 tp -64.25 -46.63 82.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.225 0.536 . . . . 0.0 109.835 177.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -61.22 -41.42 96.83 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.901 176.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.7 mmm-85 -60.35 -47.91 84.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.816 175.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.07 -37.35 76.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.98 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -63.14 -47.59 82.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.879 177.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.9 t -70.74 -48.88 55.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.612 -177.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -63.94 -24.99 67.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.988 0.423 . . . . 0.0 109.946 177.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.5 t0 58.98 64.18 1.46 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.555 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -159.77 174.81 13.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.664 -178.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.7 mp -73.6 141.74 46.59 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.226 0.536 . . . . 0.0 111.196 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.535 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 59.5 tp -90.34 122.26 33.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.551 178.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -102.28 111.38 23.65 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.891 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 46.0 t -101.59 117.73 47.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.321 0.582 . . . . 0.0 111.227 -176.397 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.52 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 11.7 t70 -81.3 112.8 18.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.029 175.318 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.8 m -122.16 122.63 39.63 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.166 175.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -143.75 155.45 44.19 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.006 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -100.8 152.79 20.08 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 171.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.4 t -66.24 -2.94 4.84 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -176.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -71.83 117.78 13.85 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 175.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.8 p -90.92 88.51 7.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.254 0.55 . . . . 0.0 111.874 -172.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.38 -106.71 1.03 Allowed Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -53.76 -32.47 66.13 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.911 2.407 . . . . 0.0 112.57 175.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.0 t -64.61 -33.54 76.18 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 110.593 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -74.42 -35.43 63.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.945 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 32.3 mtp-105 -62.55 -42.27 99.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.206 0.527 . . . . 0.0 109.985 177.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.582 HD12 HG21 ' A' ' 46' ' ' VAL . 42.1 tp -61.6 -49.52 76.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.408 177.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.61 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 47.9 m -64.42 -29.88 70.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.676 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -66.07 -58.99 4.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.117 -177.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.441 HG23 HG23 ' A' ' 46' ' ' VAL . 14.5 m -95.18 -45.56 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -171.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.582 HG21 HD12 ' A' ' 42' ' ' LEU . 62.1 t -71.01 -39.94 75.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.827 0.346 . . . . 0.0 111.545 -172.218 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.61 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 59.7 m-85 -81.68 48.55 1.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.088 0.471 . . . . 0.0 111.521 -177.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -147.49 -38.83 0.19 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.289 177.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.543 ' HB3' HG12 ' A' ' 52' ' ' VAL . 29.1 t70 -64.22 130.04 42.31 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -178.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.7 m -67.93 -39.9 83.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.607 -175.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.0 mt -70.24 -48.36 57.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.642 -173.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.564 HG23 HD21 ' A' ' 110' ' ' LEU . 6.1 p -66.45 -39.3 83.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.36 0.6 . . . . 0.0 110.23 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.468 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -62.79 -50.04 72.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.795 177.283 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -57.51 -44.12 84.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.781 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -54.67 -57.67 10.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.285 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.417 ' HA ' ' HD2' ' A' ' 60' ' ' PHE . 61.8 m-85 -71.52 -37.25 71.22 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -177.086 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.413 ' HA ' ' OD1' ' A' ' 62' ' ' ASN . 65.4 t30 -69.43 -35.95 76.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.58 0.229 . . . . 0.0 111.417 -175.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -88.25 -48.44 7.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.794 0.33 . . . . 0.0 111.559 -178.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -73.68 -25.84 60.44 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -171.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.417 ' HD2' ' HA ' ' A' ' 56' ' ' PHE . 81.4 m-85 -123.74 154.98 38.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.628 0.252 . . . . 0.0 110.599 -177.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.4 t -89.61 114.1 27.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 170.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.488 ' HB3' ' CD1' ' A' ' 8' ' ' PHE . 18.0 m120 -90.47 109.19 20.32 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.5 0.667 . . . . 0.0 111.785 -171.211 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.3 tp -104.25 139.85 38.68 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.548 178.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.918 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 57.5 tttp -121.88 133.11 54.86 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.6 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 51.7 mtt -146.53 157.82 43.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.729 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.631 ' HB3' ' H ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -96.41 160.22 14.53 Favored 'General case' 0 CA--C 1.492 -1.264 0 CA-C-O 121.261 0.553 . . . . 0.0 109.815 172.92 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 12.4 ptp -103.85 -1.04 28.39 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.88 169.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -113.3 -24.75 9.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.118 0.485 . . . . 0.0 110.362 -177.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.631 ' H ' ' HB3' ' A' ' 66' ' ' ASP . 34.1 mmtp -101.22 146.69 27.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.06 178.351 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 62.88 -135.42 43.75 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.782 -0.645 . . . . 0.0 113.393 174.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -83.19 10.93 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.055 0.455 . . . . 0.0 110.769 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -58.84 -31.67 68.47 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.632 -0.713 . . . . 0.0 113.125 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.4 m -62.31 -35.7 70.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 116.953 0.377 . . . . 0.0 111.684 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -73.92 -40.6 63.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.839 0.352 . . . . 0.0 110.527 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.476 ' O ' ' HD1' ' A' ' 79' ' ' TYR . 94.8 mt -66.19 -31.25 71.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.111 176.712 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.873 ' HG3' HG21 ' A' ' 81' ' ' VAL . 19.0 ttm180 -58.16 -55.72 31.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.859 177.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -72.31 -22.37 61.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 110.702 -178.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -64.43 -39.97 94.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.825 178.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.476 ' HD1' ' O ' ' A' ' 75' ' ' LEU . 78.0 m-85 -105.45 -14.63 15.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.436 -176.396 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 113.34 -49.1 0.87 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.506 -0.854 . . . . 0.0 114.032 169.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.873 HG21 ' HG3' ' A' ' 76' ' ' ARG . 48.0 t 53.58 103.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 122.03 0.919 . . . . 0.0 112.797 -170.284 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -121.46 -40.89 2.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.167 171.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.54 -167.45 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.17 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.756 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 71.3 m-85 -98.93 -52.4 0.2 Allowed Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.837 -0.165 . . . . 0.0 111.171 176.22 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.756 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 12.1 Cg_endo -93.01 142.49 2.07 Favored 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 122.329 2.02 . . . . 0.0 112.122 175.233 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.3 m -147.19 124.8 11.76 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.981 0.419 . . . . 0.0 110.893 178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 2.4 mm? -101.73 119.52 38.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.472 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.891 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 88.9 mt -106.96 130.99 54.53 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.112 0.482 . . . . 0.0 111.546 -175.66 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -108.91 110.93 22.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.587 175.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.535 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 39.6 mm -112.52 138.29 42.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.761 -176.202 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -74.83 161.9 29.15 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 174.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.9 p -69.36 -17.0 63.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.101 0.477 . . . . 0.0 110.701 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.4 m -79.45 -9.28 59.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.354 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 85.21 53.93 2.99 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.396 -178.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.85 154.52 38.53 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -179.054 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 33.5 m -85.93 137.09 21.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.185 0.516 . . . . 0.0 111.39 -174.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.8 t -89.52 -58.57 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.349 175.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -155.56 141.27 18.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.541 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 99' ' ' ARG . 46.1 ttp180 -103.15 113.72 27.43 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.493 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 51.0 tp -99.86 107.51 19.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.923 0.392 . . . . 0.0 110.269 -179.176 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 30.8 m -98.25 144.46 11.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.523 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 88.85 145.93 12.18 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.813 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 42' ' ' LEU . . . -116.93 115.09 24.8 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.932 0.396 . . . . 0.0 110.373 -178.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -99.22 175.32 5.93 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.726 -178.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -73.76 173.94 9.12 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 175.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.569 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -52.34 -55.16 34.26 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -171.38 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.569 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 22.8 Cg_exo -63.53 -42.62 20.48 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 121.774 1.649 . . . . 0.0 112.478 -178.241 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 49.0 tp10 -69.48 -39.62 77.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.693 -177.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 41.6 tp -59.71 -47.31 86.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.075 0.464 . . . . 0.0 110.073 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.564 HD21 HG23 ' A' ' 52' ' ' VAL . 84.8 mt -58.04 -35.02 70.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.124 -0.943 . . . . 0.0 111.047 177.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -66.77 -47.16 73.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.146 0.498 . . . . 0.0 110.116 176.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 108' ' ' GLU . 14.4 mmmm -63.42 -36.98 85.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.767 -176.343 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.0 p -73.53 -39.92 54.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.082 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -65.33 -55.24 19.34 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.552 0.215 . . . . 0.0 110.999 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.5 -9.23 56.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.475 -176.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -80.74 -28.18 47.8 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.265 178.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 40.5 t -115.07 -52.87 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.698 0.285 . . . . 0.0 110.676 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 . . . . . 0 C--O 1.235 0.293 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.568 178.981 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.676 0 CA-C-O 121.01 0.228 . . . . 0.0 112.85 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.573 ' HB ' ' CD2' ' A' ' 47' ' ' PHE . 73.6 mt -95.81 114.42 32.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.026 0.441 . . . . 0.0 109.945 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.82 121.56 32.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.084 -176.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.564 ' HE2' ' HE2' ' A' ' 47' ' ' PHE . 57.6 m-85 -94.9 147.77 23.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.275 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 20.4 mtt180 -113.27 144.79 42.13 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.299 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -126.36 93.5 3.82 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.88 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.3 mt -114.67 168.04 10.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.428 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 m -58.03 154.22 13.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.809 0.338 . . . . 0.0 110.677 175.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.435 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 74.6 t80 -53.73 -54.76 42.76 Favored Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -176.292 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 28.9 Cg_endo -62.52 -32.95 79.9 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 121.952 1.768 . . . . 0.0 112.144 178.547 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -62.89 -49.54 74.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.707 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.03 -42.53 98.64 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.254 -176.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.4 mt -64.33 -46.52 83.14 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.895 0.379 . . . . 0.0 111.03 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -61.64 -46.49 89.57 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.738 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -64.07 -40.14 95.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.089 178.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.466 ' HA ' ' HB2' ' A' ' 24' ' ' ASP . . . -57.16 -48.48 78.62 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.734 177.325 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.83 -38.52 85.74 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.51 -177.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.8 t -84.66 -57.35 4.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -173.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -109.55 0.35 19.14 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -169.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.466 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 30.7 m-20 -136.23 -149.29 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 177.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -129.04 -78.99 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.513 HD22 ' HA ' ' A' ' 91' ' ' ASN . 92.4 mt -112.06 159.45 18.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.911 0.386 . . . . 0.0 110.946 -177.138 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.526 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 58.3 tp -95.75 129.89 42.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.279 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -116.67 107.94 15.31 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.655 HG22 HD23 ' A' ' 63' ' ' LEU . 48.5 t -99.3 120.83 49.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 120.937 0.399 . . . . 0.0 110.674 -178.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -90.69 105.04 17.55 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.654 176.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 94.5 m -109.79 113.08 25.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.307 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -126.55 160.91 29.28 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.458 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 m -100.79 164.12 12.0 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 177.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.0 t -64.83 -13.35 55.67 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -176.232 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -63.24 145.16 56.11 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.751 0.31 . . . . 0.0 110.313 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 56.4 m -92.77 172.37 8.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.846 -176.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.19 -112.25 1.77 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.446 -0.883 . . . . 0.0 113.608 176.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.507 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 10.0 Cg_endo -51.39 -42.56 54.33 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.725 2.95 . . . . 0.0 113.96 -171.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 70.0 m -62.73 -29.87 71.0 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -174.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.431 ' HA ' ' HD2' ' A' ' 40' ' ' LYS . 21.0 tptm -79.42 -35.45 40.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 110.322 178.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.8 mtm105 -63.43 -36.62 84.36 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.27 177.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 38' ' ' PRO . 95.4 mt -55.83 -45.75 78.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.417 176.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.568 ' HA ' ' HB2' ' A' ' 47' ' ' PHE . 16.4 m -58.23 -29.67 65.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.591 -178.475 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -86.29 -23.77 26.19 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -177.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.42 HG11 ' HB2' ' A' ' 105' ' ' ASP . 45.9 t -109.02 -56.44 4.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -175.197 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.564 ' HA ' ' HB2' ' A' ' 106' ' ' ALA . 11.9 p -84.78 -33.97 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.389 -175.491 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.573 ' CD2' ' HB ' ' A' ' 6' ' ' ILE . 58.5 m-85 -80.88 15.91 1.63 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.896 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -106.32 -34.53 7.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.802 0.334 . . . . 0.0 111.412 -176.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.435 ' OD2' ' HB3' ' A' ' 51' ' ' LEU . 36.1 t70 -76.16 124.62 27.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.883 0.373 . . . . 0.0 111.284 -175.579 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.7 m -67.79 -30.65 70.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.64 -176.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.435 ' HB3' ' OD2' ' A' ' 49' ' ' ASP . 41.4 tp -69.43 -51.99 31.05 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 83.3 t -61.63 -42.27 93.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.418 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.567 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -55.65 -43.48 76.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.098 178.099 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -72.32 -43.31 64.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -55.02 -48.73 73.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.31 -176.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -78.26 -30.76 48.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.457 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.48 ' HB2' ' O ' ' A' ' 53' ' ' ALA . 21.0 t-20 -61.01 -45.77 93.46 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.01 0.433 . . . . 0.0 111.079 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 58' ' ' ARG . 14.9 mmm180 -90.49 -35.04 15.33 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -175.268 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -87.92 -18.53 28.95 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -172.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -133.65 157.14 46.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.974 0.416 . . . . 0.0 110.75 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 65.9 t -90.41 110.12 21.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 171.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.519 ' HB3' ' CD1' ' A' ' 8' ' ' PHE . 93.2 m-20 -79.98 103.77 10.1 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.998 -179.209 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.655 HD23 HG22 ' A' ' 29' ' ' VAL . 48.9 tp -108.11 125.08 51.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.251 -0.432 . . . . 0.0 109.902 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -107.3 124.59 50.0 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 82.9 mtp -136.15 138.19 41.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.81 0.338 . . . . 0.0 111.102 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.418 ' O ' ' HA3' ' A' ' 72' ' ' GLY . 2.6 t70 -89.13 156.92 18.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.56 175.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 60.4 mtt -85.52 -4.11 59.06 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.623 -177.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -112.76 -12.96 13.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.431 0.634 . . . . 0.0 109.93 -178.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -101.62 120.34 40.18 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.431 -176.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.58 -123.91 20.55 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.723 -0.671 . . . . 0.0 113.507 171.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.49 ' CD ' ' H ' ' A' ' 71' ' ' GLU . 1.1 pm0 -93.38 11.28 28.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.625 0.25 . . . . 0.0 110.786 -177.602 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' A' ' 66' ' ' ASP . . . -59.4 -34.2 79.66 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.385 174.656 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.3 p -67.28 -34.12 67.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 120.986 0.422 . . . . 0.0 110.955 176.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -71.04 -46.61 61.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.185 178.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.02 -31.26 72.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.161 0.505 . . . . 0.0 110.339 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -59.51 -52.34 65.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.916 178.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -77.05 -31.57 56.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.39 -178.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -63.14 -44.58 95.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.997 -177.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -89.74 -28.29 19.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.636 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 81.03 74.48 1.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.492 176.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.8 p -76.26 134.79 28.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.254 0.549 . . . . 0.0 111.183 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -136.18 21.5 3.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.601 176.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -139.5 -168.23 2.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.716 -176.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.854 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 36.8 m-85 -92.46 -57.63 0.23 Allowed Pre-proline 0 C--N 1.325 -0.476 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.909 175.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.854 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 73.7 Cg_endo -97.58 151.66 0.92 Allowed 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 122.673 2.249 . . . . 0.0 112.641 177.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.6 m -148.84 122.1 8.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.511 174.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.608 HD22 HD23 ' A' ' 100' ' ' LEU . 6.9 mp -99.33 117.35 33.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.891 179.029 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.498 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 3.0 mm? -102.56 136.22 42.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.808 -178.175 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.438 ' HZ ' HG22 ' A' ' 113' ' ' VAL . 93.6 m-85 -118.21 107.04 13.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.849 176.377 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.526 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 35.7 mm -106.64 127.85 61.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.188 0.518 . . . . 0.0 111.148 -176.398 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.513 ' HA ' HD22 ' A' ' 26' ' ' LEU . 28.7 p-10 -95.83 -178.15 4.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.985 178.186 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.0 m -66.72 -18.38 65.34 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.7 m -80.66 -26.15 37.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.873 0.368 . . . . 0.0 110.506 177.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.16 11.61 84.75 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.512 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -96.68 16.04 20.13 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -174.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 27.0 t 67.18 103.87 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 O-C-N 123.693 0.62 . . . . 0.0 111.241 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.8 p -79.07 -31.26 14.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.989 0.423 . . . . 0.0 109.879 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -166.1 146.4 6.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.947 176.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.414 ' HD3' HH11 ' A' ' 99' ' ' ARG . 35.4 ttt180 -125.09 117.81 24.76 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.321 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.608 HD23 HD22 ' A' ' 87' ' ' LEU . 57.0 tp -99.22 110.09 22.68 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.088 0.47 . . . . 0.0 110.745 -177.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 46.6 t -94.66 104.71 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.751 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 119.51 151.84 8.95 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -176.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -138.14 114.67 10.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.135 0.467 . . . . 0.0 111.596 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -99.8 -175.41 2.96 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.706 177.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.466 ' OD2' ' HD2' ' A' ' 107' ' ' PRO . 7.3 p-10 -72.12 170.31 14.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.69 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.564 ' HB2' ' HA ' ' A' ' 46' ' ' VAL . . . -45.11 -54.57 13.48 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -171.739 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.553 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 33.6 Cg_exo -58.8 -53.82 3.43 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.73 1.62 . . . . 0.0 112.982 -174.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -76.02 -23.09 55.16 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.494 ' O ' HG23 ' A' ' 113' ' ' VAL . 24.6 tp -66.04 -51.92 53.81 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.541 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.2 tp -59.18 -33.16 70.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.307 177.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -58.88 -48.78 80.18 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.509 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -70.15 -37.73 75.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.25 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.542 ' O ' HG23 ' A' ' 117' ' ' VAL . 70.4 t -61.47 -53.08 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.646 0.26 . . . . 0.0 111.019 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 118' ' ' GLU . 27.4 mtpp -66.21 -54.73 21.67 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -176.444 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 89.5 mt -73.37 -14.2 61.23 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -175.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -82.78 -31.25 30.07 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.548 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 113' ' ' VAL . 69.7 t -79.05 -30.61 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 111.042 -178.03 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 114' ' ' LYS . 7.1 pt-20 . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 120.877 0.37 . . . . 0.0 111.166 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 120.735 0.302 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -140.59 112.39 7.57 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.192 0.52 . . . . 0.0 110.646 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.12 130.8 18.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.68 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -116.63 -167.8 1.35 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.81 -131.8 1.78 Allowed Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.137 -1.03 . . . . 0.0 112.912 -175.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.509 HG12 ' HA ' ' A' ' 53' ' ' ALA . 45.8 mt -63.17 126.11 20.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.231 -0.485 . . . . 0.0 110.966 -178.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -130.51 111.34 12.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 176.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -80.34 138.14 36.67 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.446 -176.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -86.21 163.08 17.99 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 175.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -126.8 111.61 14.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.914 0.388 . . . . 0.0 111.225 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.411 HD12 HD13 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -143.19 164.96 28.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.399 175.187 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.442 ' HB2' ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -70.54 166.13 21.21 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -174.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.664 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 17.5 t80 -53.34 -54.18 48.01 Favored Pre-proline 0 CA--C 1.543 0.705 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.107 -175.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.664 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 32.3 Cg_exo -58.8 -42.81 49.35 Favored 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 121.912 1.741 . . . . 0.0 112.19 178.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -62.87 -35.98 81.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.096 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.69 -54.57 40.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.278 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.79 -43.97 97.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.279 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -61.85 -44.2 97.31 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.291 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.569 ' HA ' HG12 ' A' ' 22' ' ' VAL . 22.1 tpt180 -68.32 -38.41 81.54 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.117 -177.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.627 ' HA ' HG21 ' A' ' 61' ' ' VAL . . . -57.27 -48.25 79.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.373 . . . . 0.0 110.368 176.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -63.93 -44.0 94.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.612 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.569 HG12 ' HA ' ' A' ' 19' ' ' ARG . 12.5 p -78.52 -35.52 19.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -174.061 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -78.62 -37.43 42.24 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 122.102 -0.374 . . . . 0.0 111.054 -176.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -174.02 -79.71 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.689 0 CA-C-O 121.335 0.588 . . . . 0.0 110.956 175.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.902 ' HG2' ' HG ' ' A' ' 26' ' ' LEU . 38.5 ttmt 176.51 151.03 0.15 Allowed 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.365 -173.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.902 ' HG ' ' HG2' ' A' ' 25' ' ' LYS . 89.0 mt 72.52 142.05 0.06 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.848 0.832 . . . . 0.0 112.241 170.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.676 ' HB3' HG23 ' A' ' 90' ' ' ILE . 21.5 tp -123.24 122.27 37.97 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.026 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -96.92 101.1 12.62 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 176.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.731 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 41.5 t -93.12 105.88 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.184 -173.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -85.52 103.05 14.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.887 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 62.9 m -99.55 119.53 38.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.736 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -123.91 157.05 35.15 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.717 -177.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.647 HG22 ' H ' ' A' ' 35' ' ' TRP . 93.6 m -98.67 148.98 23.28 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.425 176.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 m -53.47 -21.19 5.75 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.443 0.64 . . . . 0.0 111.4 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.647 ' H ' HG22 ' A' ' 33' ' ' THR . 55.0 t-105 -54.02 -33.67 57.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.097 -0.956 . . . . 0.0 112.109 178.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 35' ' ' TRP . 41.1 t 69.7 -89.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.528 -173.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.443 ' O ' ' HG2' ' A' ' 40' ' ' LYS . . . 54.37 -115.51 5.34 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.449 -0.405 . . . . 0.0 113.302 176.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' HA3' ' A' ' 37' ' ' GLY . 53.2 Cg_exo -54.96 -24.68 40.54 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.622 2.881 . . . . 0.0 113.641 -177.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.1 t -52.69 -41.97 64.37 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.863 0.364 . . . . 0.0 111.342 -178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.469 ' HB2' ' HE3' ' A' ' 40' ' ' LYS . 17.3 ptmt -79.0 -23.24 44.53 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.384 -178.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 41' ' ' ARG . 11.4 ttm180 -64.68 -49.38 71.18 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.6 mp -62.32 -37.95 87.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.856 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.594 ' O ' ' HB2' ' A' ' 47' ' ' PHE . 7.6 t -62.39 -29.29 70.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.571 177.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -73.26 -56.54 4.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.432 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.0 t -89.59 -52.5 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -171.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.449 HG22 ' HB2' ' A' ' 106' ' ' ALA . 41.3 t -71.25 -37.22 65.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.876 0.37 . . . . 0.0 111.275 -173.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.594 ' HB2' ' O ' ' A' ' 43' ' ' SER . 4.6 m-30 -80.68 32.5 0.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.296 -177.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -127.63 -16.83 4.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.02 0.438 . . . . 0.0 110.145 174.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -88.71 121.98 31.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.496 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 m -69.41 -37.38 77.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.735 -177.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.2 tt -68.82 -50.95 45.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.575 0.226 . . . . 0.0 110.56 -175.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.2 t -61.61 -40.15 85.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.086 0.469 . . . . 0.0 110.306 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.509 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -64.42 -47.42 79.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.024 177.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -58.91 -45.49 90.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.197 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -58.28 -43.88 88.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.432 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -69.56 -52.27 27.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.184 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -66.15 -30.78 71.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 112.099 -173.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -89.03 -44.03 10.68 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.966 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -83.22 -9.78 58.95 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -173.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -140.6 169.74 17.08 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.627 HG21 ' HA ' ' A' ' 20' ' ' ALA . 89.4 t -104.89 121.25 56.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 169.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -85.94 142.44 28.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.151 0.5 . . . . 0.0 111.691 -171.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.411 HD13 HD12 ' A' ' 11' ' ' LEU . 39.0 tp -150.1 126.09 10.54 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.642 179.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -91.23 116.43 28.81 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 171.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.8 tpt -102.86 132.66 48.9 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 120.919 0.39 . . . . 0.0 110.545 -175.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.441 ' HB3' ' O ' ' A' ' 69' ' ' LYS . 0.8 OUTLIER -73.28 157.03 37.84 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.182 178.715 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 73.6 mmm -128.27 -5.91 5.41 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.077 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -115.94 -32.83 5.29 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.55 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 66' ' ' ASP . 60.7 mttm -121.26 176.86 5.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.623 175.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 60.47 48.94 83.68 Favored Glycine 0 CA--C 1.518 0.263 0 CA-C-N 115.91 -0.586 . . . . 0.0 114.042 171.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 64.5 19.07 11.68 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 122.714 0.406 . . . . 0.0 111.516 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.44 -31.79 71.2 Favored Glycine 0 C--N 1.331 0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.883 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.7 m -54.76 -35.71 34.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -69.6 -47.47 63.41 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.178 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.7 mt -66.81 -35.45 80.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.065 0.46 . . . . 0.0 110.115 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.404 ' HG3' HG11 ' A' ' 81' ' ' VAL . 61.4 ttp180 -58.9 -49.32 78.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.862 178.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -76.99 -37.78 54.46 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.226 -175.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -80.45 -34.05 36.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.109 -172.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.647 ' HD2' ' HD3' ' A' ' 99' ' ' ARG . 69.0 m-85 -97.51 1.93 49.6 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.71 0.291 . . . . 0.0 111.626 -177.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 63.55 76.51 0.27 Allowed Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.738 -0.664 . . . . 0.0 113.866 172.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.404 HG11 ' HG3' ' A' ' 76' ' ' ARG . 9.0 p -77.42 143.27 13.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -126.79 -32.13 2.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.737 0.303 . . . . 0.0 111.273 -178.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.21 -148.12 0.34 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.301 -179.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.667 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 24.5 m-85 -91.95 -53.73 0.27 Allowed Pre-proline 0 CA--C 1.539 0.522 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -172.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.667 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 29.2 Cg_endo -96.09 123.79 0.28 Allowed 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.827 2.351 . . . . 0.0 113.02 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.0 m -134.19 126.26 29.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.304 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.69 HD12 HD23 ' A' ' 100' ' ' LEU . 90.7 mt -107.49 124.43 49.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.995 0.426 . . . . 0.0 110.661 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.731 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 78.1 mt -109.86 120.43 42.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.783 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -97.54 106.67 19.03 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 175.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.676 HG23 ' HB3' ' A' ' 27' ' ' LEU . 16.8 tt -125.71 139.94 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-O 121.173 0.511 . . . . 0.0 111.134 -172.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -77.89 168.1 20.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.019 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.4 m -67.5 -19.05 65.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.105 0.478 . . . . 0.0 110.699 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.5 m -72.05 -14.64 61.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.953 177.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 92.62 19.16 38.66 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.851 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -114.35 137.39 51.87 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.562 ' HA ' ' HA ' ' A' ' 90' ' ' ILE . 26.9 m -86.91 144.6 8.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.97 0.414 . . . . 0.0 110.356 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 34.7 m -97.71 -23.56 4.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.232 177.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -165.14 136.25 4.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.152 -177.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.647 ' HD3' ' HD2' ' A' ' 79' ' ' TYR . 52.0 mtm180 -108.78 114.18 27.75 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.89 174.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.69 HD23 HD12 ' A' ' 87' ' ' LEU . 53.9 tp -91.82 107.03 18.92 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.138 0.494 . . . . 0.0 109.916 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 59.1 t -97.46 103.45 14.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.13 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.8 173.49 17.36 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.655 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -134.92 132.03 37.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.031 0.444 . . . . 0.0 110.275 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -119.89 -178.52 3.66 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.79 157.64 34.29 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.104 -0.239 . . . . 0.0 110.473 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.449 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -43.89 -56.26 7.77 Favored Pre-proline 0 N--CA 1.474 0.725 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -171.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.04 -39.45 80.2 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 121.982 1.788 . . . . 0.0 112.273 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -69.7 -39.56 76.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.344 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.52 ' O ' HG23 ' A' ' 113' ' ' VAL . 0.8 OUTLIER -62.52 -50.37 71.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.765 179.643 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.1 tp -58.41 -37.4 75.28 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.222 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -64.31 -48.1 76.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.489 178.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -60.62 -34.48 74.31 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.248 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 109' ' ' LEU . 82.8 t -60.41 -50.69 79.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.622 177.006 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -65.25 -45.38 84.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.218 -178.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.66 -25.82 68.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.302 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -79.02 -40.95 15.13 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.588 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 48.6 t -80.61 -40.57 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.078 0.466 . . . . 0.0 110.639 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -127.68 86.4 2.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.873 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.1 m -78.64 117.22 19.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.587 -175.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -93.0 162.14 14.17 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 174.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.782 0 CA-C-O 118.892 -0.949 . . . . 0.0 111.935 -178.613 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -96.52 124.85 40.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.865 0.364 . . . . 0.0 110.444 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -101.76 101.76 12.3 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.066 0.46 . . . . 0.0 110.591 178.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -101.2 -11.8 19.24 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.836 177.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 78.24 -149.41 33.99 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.57 -0.741 . . . . 0.0 113.158 174.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.599 HG12 ' HA ' ' A' ' 47' ' ' PHE . 20.4 mm -86.48 138.64 18.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.675 0.274 . . . . 0.0 110.339 -178.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -116.41 109.79 17.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.072 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.809 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 46.7 m-85 -100.83 146.39 27.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.14 0.495 . . . . 0.0 111.496 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.447 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -108.94 147.29 32.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.335 173.867 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -121.12 94.98 4.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.994 0.426 . . . . 0.0 111.021 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.402 ' H ' HD11 ' A' ' 63' ' ' LEU . 3.4 mm? -126.61 167.46 15.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.357 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.8 m -75.82 159.64 30.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.988 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.606 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 91.3 t80 -52.13 -53.05 56.41 Favored Pre-proline 0 CA--C 1.539 0.529 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.606 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 71.6 Cg_exo -48.48 -49.88 13.55 Favored 'Trans proline' 0 C--N 1.358 1.068 0 C-N-CA 122.203 1.936 . . . . 0.0 112.806 176.305 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -61.24 -46.9 88.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.377 178.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.5 -42.89 79.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.795 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.481 ' HA ' HD21 ' A' ' 27' ' ' LEU . 39.0 tp -67.92 -53.31 27.42 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.536 0.684 . . . . 0.0 110.207 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -56.84 -49.51 75.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.638 -1.165 . . . . 0.0 111.648 -177.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -65.63 -39.77 91.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.755 -177.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.41 -33.76 76.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.672 0.272 . . . . 0.0 111.017 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.07 -40.69 82.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.661 0.267 . . . . 0.0 110.788 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.678 HG23 ' HG3' ' A' ' 23' ' ' GLU . 30.4 m -86.17 -34.71 8.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -175.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.678 ' HG3' HG23 ' A' ' 22' ' ' VAL . 45.7 mt-10 -108.51 -36.97 6.07 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -173.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.518 ' CG ' ' H ' ' A' ' 25' ' ' LYS . 10.3 t70 -118.2 -148.44 0.42 Allowed 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.201 -0.6 . . . . 0.0 112.532 -164.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.518 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 43.9 tttm -126.53 -51.57 1.49 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.687 -165.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 50.1 mt -148.95 157.45 43.43 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.522 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.481 HD21 ' HA ' ' A' ' 17' ' ' LEU . 8.6 mp -87.26 111.17 20.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.234 176.044 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.476 ' HB3' ' O ' ' A' ' 61' ' ' VAL . 82.8 t80 -110.06 114.78 28.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 178.083 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.822 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 98.4 t -107.36 121.19 59.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.864 0.364 . . . . 0.0 111.133 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -87.83 108.97 19.41 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.026 173.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.498 ' SG ' ' HG2' ' A' ' 67' ' ' MET . 51.5 t -115.04 113.77 24.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.145 -178.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.493 ' CE1' ' HE3' ' A' ' 64' ' ' LYS . 21.4 p90 -123.68 159.85 28.46 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.312 -0.403 . . . . 0.0 109.917 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 m -99.3 155.1 17.68 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.8 m -62.12 -16.57 53.42 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -174.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -60.68 132.98 55.59 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.954 0.407 . . . . 0.0 111.19 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.9 m -80.61 107.37 13.36 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.712 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.44 ' HA3' ' HD2' ' A' ' 38' ' ' PRO . . . -154.26 -123.46 0.89 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.419 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.554 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 9.5 Cg_endo -52.32 -36.88 70.05 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.403 2.735 . . . . 0.0 112.633 -178.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.6 p -54.24 -37.25 64.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.585 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -74.01 -37.23 64.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.773 -177.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -70.94 -40.31 72.1 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 38' ' ' PRO . 94.3 mt -56.6 -42.67 79.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.964 176.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' ' 47' ' ' PHE . 50.1 m -59.55 -28.61 67.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.667 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -84.7 -47.71 10.18 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -177.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.554 HG13 HG23 ' A' ' 46' ' ' VAL . 7.4 p -95.64 -53.15 8.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.127 0.489 . . . . 0.0 112.103 -174.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.554 HG23 HG13 ' A' ' 45' ' ' VAL . 58.0 t -67.47 -42.38 87.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.194 -177.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.599 ' HA ' HG12 ' A' ' 6' ' ' ILE . 3.6 m-85 -81.58 29.26 0.38 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.175 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -134.73 -28.82 1.2 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 176.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -72.85 130.98 41.66 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.374 -176.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.7 m -69.81 -40.31 76.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.486 -177.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.94 -51.27 68.79 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.817 0.342 . . . . 0.0 110.666 -177.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.534 HG11 HG13 ' A' ' 46' ' ' VAL . 93.7 t -60.07 -45.79 95.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.908 178.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.479 ' HA ' HD13 ' A' ' 6' ' ' ILE . . . -60.03 -51.17 70.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.471 -178.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -63.99 -39.02 93.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.75 -176.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -61.84 -58.68 7.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.907 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -61.7 -46.24 90.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.79 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -71.05 -49.01 49.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -172.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -79.47 -24.3 42.47 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -170.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -95.55 -25.23 16.27 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 89.7 m-85 -142.9 163.68 32.14 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 121.18 -0.208 . . . . 0.0 111.074 -177.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.476 ' O ' ' HB3' ' A' ' 28' ' ' PHE . 85.4 t -78.78 118.16 25.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.506 176.085 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.513 ' HB3' ' CD1' ' A' ' 8' ' ' PHE . 3.1 m-20 -88.89 94.94 10.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.157 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.717 HD23 HG22 ' A' ' 29' ' ' VAL . 52.9 tp -96.9 125.93 41.68 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.965 0.412 . . . . 0.0 110.18 -178.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.809 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 48.2 tptt -100.62 122.03 42.6 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.7 mtt -132.39 158.09 42.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.543 0.687 . . . . 0.0 111.824 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.87 156.26 17.63 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.143 175.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.498 ' HG2' ' SG ' ' A' ' 31' ' ' CYS . 66.1 mtp -78.42 -19.4 53.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.945 0.402 . . . . 0.0 110.388 -179.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 45.1 mt-10 -141.83 132.88 26.1 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 176.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 68' ' ' GLU . 10.4 mtmp? 76.56 111.85 0.07 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.406 1.066 . . . . 0.0 110.356 -170.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.17 46.27 1.37 Allowed Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.916 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 66.11 14.07 9.44 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.329 0.652 . . . . 0.0 111.56 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.44 -35.91 59.5 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.503 -177.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.3 p -60.71 -36.69 72.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 120.69 0.281 . . . . 0.0 110.955 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.545 ' O ' ' HB2' ' A' ' 78' ' ' LYS . 0.3 OUTLIER -66.67 -49.99 64.38 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.799 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.9 mt -60.02 -38.14 81.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.56 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -61.14 -50.03 74.86 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.863 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HE3' ' HB2' ' A' ' 77' ' ' LYS . 3.6 tppp? -72.07 -28.16 63.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.505 0.669 . . . . 0.0 110.151 -178.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.545 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 28.8 tttp -65.92 -49.31 68.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.602 -175.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.401 ' CE1' HG11 ' A' ' 96' ' ' VAL . 18.8 m-85 -105.22 -27.68 11.41 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -173.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.85 51.32 15.5 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.483 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.7 m -77.56 156.84 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.51 0.195 . . . . 0.0 110.996 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -143.01 18.3 1.95 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.822 0.344 . . . . 0.0 111.651 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.09 -178.21 3.58 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.879 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 95.2 m-85 -92.53 -58.19 0.23 Allowed Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.607 176.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.879 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 38.2 Cg_endo -98.45 119.89 0.13 Allowed 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 122.621 2.214 . . . . 0.0 112.129 175.138 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.2 m -128.48 139.86 52.12 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.761 0.315 . . . . 0.0 111.005 -177.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.529 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 72.8 mt -108.86 113.07 25.69 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.822 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 87.6 mt -98.94 120.33 39.21 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.501 -177.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -110.66 127.67 55.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.558 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.407 ' HB ' ' HB2' ' A' ' 27' ' ' LEU . 66.7 mt -131.58 136.41 57.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 177.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -95.44 178.53 5.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.494 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.3 m -63.14 -19.01 64.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.288 -173.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.0 m -74.96 -11.34 60.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.671 0.272 . . . . 0.0 111.129 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 86.16 22.65 47.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.422 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -127.43 154.58 44.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.887 0.375 . . . . 0.0 110.833 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.401 HG11 ' CE1' ' A' ' 79' ' ' TYR . 6.3 p -91.7 127.83 43.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.799 174.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 47.5 t -92.95 -48.04 13.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.093 0.473 . . . . 0.0 110.073 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.425 ' HE2' HD23 ' A' ' 100' ' ' LEU . 91.7 t80 -134.73 136.19 42.49 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.837 -178.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -102.1 124.72 48.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.021 177.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 2.8 tm? -104.22 107.56 18.53 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 19.1 m -103.21 136.0 38.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.666 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.41 119.05 0.94 Allowed Glycine 0 N--CA 1.443 -0.891 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.281 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.5 ' H ' ' HG2' ' A' ' 85' ' ' PRO . . . -101.43 146.47 27.58 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.334 -0.433 . . . . 0.0 110.176 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.446 ' HG3' ' HG3' ' A' ' 108' ' ' GLU . 26.3 mm-40 -117.83 -174.71 2.69 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.28 -178.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.27 158.58 13.92 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 170.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.616 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -44.26 -57.19 6.7 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -171.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.616 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 25.2 Cg_exo -63.44 -40.16 32.8 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.658 1.572 . . . . 0.0 112.851 -177.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.446 ' HG3' ' HG3' ' A' ' 104' ' ' GLU . 45.2 tp10 -70.46 -38.81 74.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.523 -177.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 103' ' ' ALA . 37.0 tp -64.36 -45.77 86.31 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 120.987 0.422 . . . . 0.0 110.001 177.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 69.6 mt -52.49 -38.73 60.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.343 176.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.567 ' HG2' ' O ' ' A' ' 107' ' ' PRO . 34.7 mmtp -61.5 -48.33 81.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.411 177.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.515 ' HB3' HD21 ' A' ' 100' ' ' LEU . 54.9 mtpt -64.67 -40.12 94.86 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.321 -178.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 109' ' ' LEU . 89.4 t -67.18 -47.58 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.674 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -63.79 -38.95 93.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.573 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 115' ' ' LEU . 2.7 tm? -77.6 -22.64 50.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.486 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -86.24 -38.15 8.61 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.42 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.1 t -82.44 -47.7 18.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.825 0.312 . . . . 0.0 110.92 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.35 142.27 41.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.424 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 17.4 t -65.94 -43.12 88.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.58 -176.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -132.63 -70.19 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.798 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.905 0 CA-C-O 119.146 -0.808 . . . . 0.0 111.356 -178.475 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.667 0.27 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -86.88 115.55 24.36 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.44 -38.96 2.06 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 -178.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.0 19.45 11.76 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.614 0.571 . . . . 0.0 110.559 -175.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 122.69 -168.44 15.05 Favored Glycine 0 N--CA 1.44 -1.052 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.743 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.3 mt -85.85 121.43 37.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.923 0.392 . . . . 0.0 110.363 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.52 90.87 4.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.057 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -83.92 126.95 33.49 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.235 174.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.431 ' O ' HD12 ' A' ' 63' ' ' LEU . 53.6 mtp180 -92.98 160.33 14.93 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 177.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -125.44 93.87 3.98 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 176.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.8 mt -125.63 161.51 27.06 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.421 -175.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.5 m -69.88 162.81 27.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.748 176.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.657 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 57.5 t80 -57.84 -52.77 71.98 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.062 -177.083 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.657 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 31.8 Cg_exo -55.51 -45.74 37.39 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 121.934 1.756 . . . . 0.0 112.225 175.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.27 -54.22 49.29 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.878 -177.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.08 -49.24 78.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.652 -176.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.502 ' CD2' ' HG ' ' A' ' 27' ' ' LEU . 41.4 mt -61.37 -53.59 54.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.212 -177.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -65.27 -42.27 93.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.727 -173.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -60.89 -39.53 89.6 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-O 120.992 0.425 . . . . 0.0 110.053 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.95 ' HA ' ' HB2' ' A' ' 24' ' ' ASP . . . -69.37 -42.19 75.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.638 178.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -58.98 -35.4 73.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.257 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.6 t -88.04 -54.95 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -105.11 -33.79 8.16 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -171.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.95 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 23.4 m-20 -100.38 -156.97 0.58 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.821 -171.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -120.19 -90.45 0.58 Allowed 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.553 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.9 mt -103.9 162.27 13.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.99 0.424 . . . . 0.0 111.711 -172.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.559 ' HB2' ' HB ' ' A' ' 90' ' ' ILE . 3.5 mm? -97.36 123.7 41.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.688 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -113.67 106.55 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 174.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.857 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 21.9 t -100.88 112.03 32.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.479 -176.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -93.94 100.66 12.78 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.425 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.5 m -106.67 113.39 26.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.455 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -125.27 158.76 33.32 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.122 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.6 p -99.37 157.98 16.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.384 0.611 . . . . 0.0 111.127 177.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.2 p -90.5 16.56 8.71 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.283 -0.872 . . . . 0.0 110.449 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -55.55 -68.67 0.18 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.977 -1.01 . . . . 0.0 112.271 -172.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.7 p -121.89 -73.44 0.65 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.679 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.665 ' H ' ' HD3' ' A' ' 38' ' ' PRO . . . 171.67 49.64 0.04 OUTLIER Glycine 0 CA--C 1.523 0.567 0 C-N-CA 120.728 -0.748 . . . . 0.0 113.922 174.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.665 ' HD3' ' H ' ' A' ' 37' ' ' GLY . 23.8 Cg_exo -64.73 -34.43 50.56 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.105 1.87 . . . . 0.0 111.804 176.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.5 t -65.65 -31.95 73.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.155 0.502 . . . . 0.0 109.886 177.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -72.73 -31.31 64.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.057 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -61.18 -48.93 79.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.169 173.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.3 mt -66.36 -21.22 66.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.76 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.586 ' HA ' ' HB2' ' A' ' 47' ' ' PHE . 37.2 t -65.51 -28.84 69.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.176 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.519 ' HG3' HG23 ' A' ' 45' ' ' VAL . 27.3 tptp -58.81 -66.47 0.49 Allowed 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.927 0.344 . . . . 0.0 111.927 -177.11 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.519 HG23 ' HG3' ' A' ' 44' ' ' LYS . 58.5 t -108.21 -50.29 7.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.645 0.26 . . . . 0.0 111.314 -176.199 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.5 t -55.2 -50.62 62.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.517 -172.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.586 ' HB2' ' HA ' ' A' ' 43' ' ' SER . 20.4 m-30 -85.52 17.58 3.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.76 -176.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -130.82 -0.51 4.26 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -86.32 122.21 29.97 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.3 m -70.13 -42.71 72.23 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -177.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.6 tp -65.78 -47.59 74.65 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.814 0.34 . . . . 0.0 111.147 -175.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.4 t -66.77 -35.43 74.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.693 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.12 -44.9 94.54 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 178.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -58.82 -43.05 90.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.406 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -61.36 -45.84 92.72 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.487 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -65.95 -47.01 76.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.409 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -61.22 -31.09 70.87 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.204 0.526 . . . . 0.0 111.196 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -76.62 -41.97 44.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.172 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -85.84 -41.73 14.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -174.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -132.06 174.95 9.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.051 0.453 . . . . 0.0 110.691 -173.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 22.1 m -95.05 125.07 47.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 166.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -85.23 98.81 10.71 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.154 0.502 . . . . 0.0 110.532 -177.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 9' ' ' ARG . 44.0 tp -116.82 125.46 51.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.577 -177.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -94.29 131.97 39.36 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 174.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.0 tpt -133.1 116.02 15.8 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.831 0.348 . . . . 0.0 110.413 -178.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -70.55 141.1 51.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.121 0.486 . . . . 0.0 110.002 176.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.7 ttp -94.55 6.09 49.87 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.979 -172.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -120.86 8.14 10.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.686 176.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -124.85 150.93 45.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.151 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 57.84 -128.85 48.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.645 178.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 0.9 OUTLIER -92.86 9.9 33.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.896 0.379 . . . . 0.0 110.255 176.521 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.474 ' HA2' HD12 ' A' ' 75' ' ' LEU . . . -61.39 -33.52 84.9 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.338 178.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.425 ' O ' ' HB3' ' A' ' 76' ' ' ARG . 7.8 p -65.89 -36.82 78.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.261 0.553 . . . . 0.0 109.809 176.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 23.4 mm-40 -65.84 -43.65 87.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.822 175.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.505 HD23 ' HD2' ' A' ' 78' ' ' LYS . 75.3 mt -57.63 -36.12 71.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.412 176.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' A' ' 73' ' ' VAL . 14.3 ttm180 -57.85 -42.82 85.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.251 177.115 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -76.55 -28.58 56.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.056 177.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.505 ' HD2' HD23 ' A' ' 75' ' ' LEU . 68.0 mttm -74.72 -48.67 24.56 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -175.342 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -100.88 0.6 38.79 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -171.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.08 70.51 0.95 Allowed Glycine 0 C--N 1.33 0.24 0 O-C-N 123.418 0.449 . . . . 0.0 113.178 174.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.5 p -60.39 137.7 22.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.109 0.48 . . . . 0.0 110.797 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -122.01 -48.41 2.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.56 178.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.13 -159.39 0.6 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.313 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.852 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 44.7 m-85 -91.62 -54.27 0.27 Allowed Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.773 -0.194 . . . . 0.0 110.561 178.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.852 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 4.1 Cg_endo -89.88 140.42 3.46 Favored 'Trans proline' 0 N--CA 1.451 -0.989 0 C-N-CA 122.239 1.959 . . . . 0.0 111.652 173.11 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 47.2 m -133.77 110.38 9.76 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.995 0.426 . . . . 0.0 110.359 177.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.551 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 6.9 mp -83.9 122.04 28.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.656 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.857 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 79.7 mt -114.42 135.66 53.85 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -178.107 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.473 ' CZ ' HG23 ' A' ' 113' ' ' VAL . 53.2 m-85 -121.25 109.35 14.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.052 -177.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.559 ' HB ' ' HB2' ' A' ' 27' ' ' LEU . 68.8 mt -108.66 131.71 58.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.896 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -94.69 177.66 5.84 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 m -60.3 -30.0 69.2 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.002 0.43 . . . . 0.0 111.173 -177.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.2 t -81.82 -11.93 58.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.468 -176.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.64 25.4 62.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.311 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -99.91 150.67 22.16 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 44.0 t -78.17 101.4 3.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.95 0.405 . . . . 0.0 110.184 -178.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.2 t -77.33 -57.27 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.601 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -146.03 143.35 29.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.145 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.421 ' HD3' HH11 ' A' ' 99' ' ' ARG . 2.5 ptm180 -120.84 130.17 53.84 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 175.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.551 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 4.2 tt -129.36 110.88 12.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.817 0.342 . . . . 0.0 110.205 -174.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.6 m -103.9 120.62 54.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.123 0.487 . . . . 0.0 110.466 176.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.12 160.81 13.67 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.759 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -135.78 132.8 37.21 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.945 0.402 . . . . 0.0 110.653 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.596 ' HG2' ' HD2' ' A' ' 112' ' ' LYS . 69.4 mm-40 -94.45 -175.71 3.71 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.328 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.561 ' HB3' ' HD2' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -67.87 165.13 18.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.958 173.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.543 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -47.66 -52.24 39.49 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -177.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.561 ' HD2' ' HB3' ' A' ' 105' ' ' ASP . 33.0 Cg_exo -61.01 -45.73 18.61 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 121.775 1.65 . . . . 0.0 112.389 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.59 -26.32 60.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.64 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.401 ' O ' HG12 ' A' ' 113' ' ' VAL . 0.3 OUTLIER -55.79 -46.31 78.0 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.472 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.9 tp -66.84 -41.82 86.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.135 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -69.21 -41.38 77.15 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.474 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.596 ' HD2' ' HG2' ' A' ' 104' ' ' GLU . 28.9 tttp -63.32 -44.48 94.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.75 -176.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.473 HG23 ' CZ ' ' A' ' 89' ' ' PHE . 7.9 p -70.71 -38.63 73.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.633 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -64.73 -52.66 55.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.809 0.338 . . . . 0.0 110.592 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 43.7 tp -68.7 -26.56 65.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -76.62 -47.01 10.59 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.647 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 90.4 t -72.3 -35.66 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.62 0.248 . . . . 0.0 111.014 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -82.22 93.5 7.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.92 0.391 . . . . 0.0 110.755 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 25.0 m -106.43 108.2 19.6 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 174.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -85.82 148.51 25.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.982 -176.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.865 0 CA-C-O 118.55 -1.139 . . . . 0.0 111.643 178.692 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 120.724 0.297 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -124.53 173.31 8.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 175.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.0 -48.53 6.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.141 0.496 . . . . 0.0 110.082 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -83.95 103.52 13.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.673 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.22 117.92 3.17 Favored Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 -172.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.552 HG12 ' HA ' ' A' ' 53' ' ' ALA . 49.5 mt -59.7 119.29 3.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.022 0.439 . . . . 0.0 111.342 -174.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.55 94.9 5.06 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.231 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -71.56 129.86 39.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.451 177.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 9' ' ' ARG . 16.6 mmm-85 -78.11 136.75 37.93 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.913 -176.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -101.73 96.17 6.91 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 172.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.6 mt -135.74 167.48 21.07 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.734 -175.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.402 ' HB3' ' CG ' ' A' ' 15' ' ' GLU . 28.1 t -79.29 163.5 24.87 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 174.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.513 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 50.9 t80 -54.63 -60.15 8.58 Favored Pre-proline 0 CA--C 1.544 0.714 0 O-C-N 123.265 0.353 . . . . 0.0 111.778 -176.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.513 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 34.3 Cg_endo -65.34 -36.59 34.73 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 121.845 1.697 . . . . 0.0 112.156 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.581 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 34.4 mm-40 -58.52 -54.67 44.43 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.069 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.21 89.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.4 -174.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.6 tp -58.24 -53.47 57.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.296 0.57 . . . . 0.0 110.382 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.475 ' HB2' ' NZ ' ' A' ' 18' ' ' LYS . 2.7 ttmp? -62.18 -39.93 94.33 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.546 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.581 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 24.6 mmt180 -58.81 -41.53 86.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.736 177.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.667 ' HA ' HG21 ' A' ' 61' ' ' VAL . . . -62.55 -44.54 96.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.232 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -56.27 -40.95 75.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.345 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 85.3 t -90.17 -50.72 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -83.63 -38.31 21.73 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -167.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.528 ' HB2' ' CG2' ' A' ' 61' ' ' VAL . 54.9 m-20 -140.23 -127.41 0.11 Allowed 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.299 -173.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.644 ' HG2' ' HG ' ' A' ' 26' ' ' LEU . 37.6 tttp -156.66 127.82 6.93 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.491 -174.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.644 ' HG ' ' HG2' ' A' ' 25' ' ' LYS . 96.9 mt 66.91 142.68 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.834 0.826 . . . . 0.0 112.221 174.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.523 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 35.7 tp -104.46 108.15 19.44 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.63 177.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.414 ' CZ ' HD22 ' A' ' 87' ' ' LEU . 64.2 t80 -90.56 101.56 14.3 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.74 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 47.9 t -95.7 116.84 38.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.805 -176.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -100.95 107.09 18.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.844 175.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.521 ' HB2' ' HB ' ' A' ' 86' ' ' THR . 80.4 m -94.78 114.08 25.92 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.357 176.233 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -119.34 154.87 32.89 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.187 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 51.9 p -98.35 171.87 7.91 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.8 m -70.81 -23.29 62.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.954 0.407 . . . . 0.0 110.354 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -69.22 122.41 18.78 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.184 175.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.2 p -99.04 121.85 41.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.178 0.514 . . . . 0.0 111.104 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.24 -87.25 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.521 177.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.438 ' HB2' ' HG3' ' A' ' 85' ' ' PRO . 48.7 Cg_exo -55.07 -40.71 84.46 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 123.18 2.587 . . . . 0.0 112.854 177.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 85' ' ' PRO . 56.8 m -70.34 -21.91 62.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.598 0.237 . . . . 0.0 110.916 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -70.45 -29.22 65.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.181 0.515 . . . . 0.0 109.947 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -60.12 -39.2 85.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.022 174.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.533 HD11 HD22 ' A' ' 109' ' ' LEU . 12.2 tp -67.68 -40.26 84.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.891 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.61 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 15.6 m -61.92 -38.98 90.45 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.207 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -56.17 -57.83 10.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.25 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.474 HG23 HG23 ' A' ' 46' ' ' VAL . 5.3 m -97.4 -45.41 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -172.16 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.474 HG23 HG23 ' A' ' 45' ' ' VAL . 36.1 t -72.5 -28.93 29.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.071 0.462 . . . . 0.0 111.323 -171.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.61 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 34.2 m-85 -95.55 21.35 8.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.861 0.363 . . . . 0.0 110.736 178.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -134.45 -44.16 0.76 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.047 -177.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.88 130.14 42.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.989 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.0 m -66.73 -45.61 78.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.078 -176.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.6 mt -70.74 -43.51 68.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.373 -174.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.8 t -61.79 -50.03 81.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.471 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.552 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -59.99 -39.91 87.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.408 ' O ' ' HG3' ' A' ' 58' ' ' ARG . 23.3 t70 -64.42 -48.18 76.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.182 -179.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -61.71 -51.73 67.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.35 -176.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -67.94 -30.72 70.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.865 -175.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -70.76 -34.35 71.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.75 0.31 . . . . 0.0 111.159 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 54' ' ' ASP . 58.2 mtt180 -83.12 -44.11 15.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.708 -178.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -88.16 -10.03 51.22 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -170.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.497 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 69.4 m-85 -142.6 146.3 34.41 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.667 HG21 ' HA ' ' A' ' 20' ' ' ALA . 89.0 t -91.47 110.1 22.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 168.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -86.23 116.08 24.19 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.661 -174.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 54.8 tp -113.7 126.25 55.03 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.472 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -103.79 133.38 48.87 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 176.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 53.2 ttm -147.25 140.83 25.56 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.95 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -75.55 156.25 35.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.711 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 79.8 mtp -98.99 -3.53 34.7 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 172.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 47.3 mt-10 -127.06 111.11 13.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.326 173.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 68' ' ' GLU . 97.6 mttt 73.4 160.99 0.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.3 1.0 . . . . 0.0 110.778 -173.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 78.56 28.57 54.97 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.885 -178.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 69.29 16.17 8.43 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.405 0.682 . . . . 0.0 111.352 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.82 -32.05 82.87 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.193 178.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.3 p -57.61 -35.5 50.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-O 120.696 0.284 . . . . 0.0 111.297 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -64.07 -51.65 63.05 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.037 0.446 . . . . 0.0 110.428 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.9 mp -71.24 -31.72 67.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.308 -176.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.666 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 37.3 ttt180 -59.22 -42.25 90.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.254 0.55 . . . . 0.0 110.291 177.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -77.17 -30.08 54.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.804 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -76.07 -49.68 16.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.979 -172.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -98.36 -16.64 19.23 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.992 -174.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.52 110.86 1.49 Allowed Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 176.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.666 ' HB ' ' HG3' ' A' ' 76' ' ' ARG . 8.4 p -71.83 134.32 30.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.149 0.5 . . . . 0.0 110.31 176.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 54.5 m80 -136.1 -70.35 0.47 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.972 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.36 -160.15 0.76 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.003 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.675 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 42.3 m-85 -90.86 -48.04 0.36 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.554 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.675 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 84.8 Cg_endo -89.28 143.35 4.64 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 121.871 1.714 . . . . 0.0 111.597 170.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.521 ' HB ' ' HB2' ' A' ' 31' ' ' CYS . 62.6 m -148.55 114.26 5.69 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.03 0.443 . . . . 0.0 110.608 177.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.648 HD12 HD23 ' A' ' 100' ' ' LEU . 82.0 mt -93.66 116.5 29.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.074 -178.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.74 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 81.9 mt -105.48 127.6 53.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.908 176.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -109.17 106.62 16.57 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.284 -177.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.523 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 45.4 mm -113.68 118.84 59.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.737 -175.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -93.23 -174.08 3.43 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 176.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.1 p -56.34 -27.56 56.21 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -177.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.8 m -66.25 -27.47 67.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.726 0.298 . . . . 0.0 111.764 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 91.02 -11.13 73.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.766 -176.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -88.29 167.83 13.22 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 18.3 m -93.22 124.31 45.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.057 0.456 . . . . 0.0 111.261 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.43 HG13 ' HD1' ' A' ' 98' ' ' TYR . 3.4 p -74.42 -43.31 49.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 174.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.531 ' OH ' ' HA ' ' A' ' 113' ' ' VAL . 18.3 p90 -161.72 165.07 28.62 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 172.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -125.15 140.64 52.69 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.648 HD23 HD12 ' A' ' 87' ' ' LEU . 48.0 tp -125.66 125.42 43.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.902 0.382 . . . . 0.0 110.819 -176.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 60.5 t -102.73 107.86 22.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.289 177.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.404 ' HA2' ' HG2' ' A' ' 85' ' ' PRO . . . 119.64 148.13 8.16 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.121 179.038 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -124.93 114.86 19.71 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -95.92 -175.53 3.44 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.676 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.83 166.31 9.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.326 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.558 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -52.13 -51.79 68.34 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -172.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.558 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 37.2 Cg_exo -58.21 -45.14 33.22 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.787 1.658 . . . . 0.0 112.534 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.521 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 11.0 mm-40 -69.39 -40.29 77.46 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 -179.468 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.533 HD22 HD11 ' A' ' 42' ' ' LEU . 47.7 tp -52.63 -55.62 21.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.465 178.13 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 54.8 tp -56.35 -39.89 73.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.099 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -65.37 -42.91 92.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.844 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 108' ' ' GLU . 13.7 mmmm -65.99 -27.56 68.23 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 120.626 0.25 . . . . 0.0 111.294 -177.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.531 ' HA ' ' OH ' ' A' ' 98' ' ' TYR . 76.2 t -71.13 -52.92 23.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.363 . . . . 0.0 110.45 177.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 118' ' ' GLU . 96.2 mttt -66.25 -44.94 82.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.438 -178.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 30.1 tp -67.33 -20.66 65.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.05 -177.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -89.66 -40.7 5.9 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.844 -0.693 . . . . 0.0 113.134 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 22.0 m -66.31 -35.85 75.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.91 0.355 . . . . 0.0 111.901 -176.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 114' ' ' LYS . 9.9 pt-20 -100.93 159.24 15.37 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 175.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.7 p -106.72 5.84 29.12 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.76 -174.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 66.26 93.96 0.07 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.438 0.637 . . . . 0.0 109.866 -176.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.408 -1.218 . . . . 0.0 111.216 -176.263 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -135.17 147.62 49.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.029 0.442 . . . . 0.0 111.431 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -146.71 108.41 4.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.844 176.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -81.4 162.19 23.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.97 177.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -100.17 -133.32 8.07 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.906 -0.664 . . . . 0.0 113.457 -173.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.1 mt -57.86 123.55 9.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.163 -0.519 . . . . 0.0 111.507 -177.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -113.17 114.39 26.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.454 177.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.687 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 83.9 m-85 -84.14 145.4 28.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.53 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -94.69 128.64 41.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.239 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -82.72 94.42 7.6 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 174.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 11' ' ' LEU . 12.6 tp -139.12 167.92 20.98 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.234 -175.132 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.8 p -83.23 168.8 16.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.093 0.473 . . . . 0.0 110.363 176.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.495 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 81.3 t80 -63.22 -53.44 53.88 Favored Pre-proline 0 C--N 1.317 -0.82 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.886 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 20.8 Cg_endo -61.16 -39.58 57.75 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.113 1.876 . . . . 0.0 112.592 -177.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.4 -54.71 32.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.353 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.54 -41.08 84.74 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.073 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.6 tp -58.03 -50.38 73.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.17 0.51 . . . . 0.0 110.528 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -56.85 -43.14 80.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.711 178.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -58.68 -49.01 79.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.491 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.414 ' HB1' ' O ' ' A' ' 25' ' ' LYS . . . -66.48 -30.98 71.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.728 0.299 . . . . 0.0 111.347 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -64.17 -46.7 82.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.125 0.488 . . . . 0.0 110.568 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.7 t -77.88 -39.26 25.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.327 -177.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.667 ' HG2' ' HE2' ' A' ' 25' ' ' LYS . 21.0 tt0 -85.31 -0.08 53.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.054 0.454 . . . . 0.0 110.778 -176.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.6 t70 61.49 52.17 3.82 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.989 170.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.667 ' HE2' ' HG2' ' A' ' 23' ' ' GLU . 56.2 mtmt -144.56 -178.65 6.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.898 179.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 91' ' ' ASN . 3.0 mm? -100.9 157.61 16.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.929 0.395 . . . . 0.0 111.142 -175.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.608 ' HB2' ' HB ' ' A' ' 90' ' ' ILE . 3.3 mm? -90.8 119.19 30.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.517 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.487 ' CZ ' HD22 ' A' ' 87' ' ' LEU . 76.9 t80 -105.79 101.41 10.92 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 171.079 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.592 ' HB ' ' HB3' ' A' ' 88' ' ' LEU . 27.6 t -97.26 111.66 27.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.515 -176.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -79.75 98.12 6.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.428 177.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.4 m -98.25 111.86 24.05 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -141.4 155.71 45.87 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.303 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -100.48 152.11 20.77 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.3 p -75.4 16.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -175.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.427 ' O ' ' HB3' ' A' ' 36' ' ' CYS . 49.6 t-105 -53.76 -34.22 58.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.542 177.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 35' ' ' TRP . 48.5 t 77.3 163.58 0.23 Allowed 'General case' 0 CA--C 1.53 0.2 0 O-C-N 124.038 0.836 . . . . 0.0 110.456 -177.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.64 -100.45 1.06 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.261 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.01 -45.05 43.84 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 123.378 2.719 . . . . 0.0 113.353 -177.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.7 p -64.97 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.085 0.469 . . . . 0.0 111.064 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -79.28 -39.74 32.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.363 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -61.55 -41.16 96.95 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.933 0.397 . . . . 0.0 110.393 175.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.7 tp -58.6 -37.04 74.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.128 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.654 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 49.9 m -69.37 -29.64 67.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.307 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -64.33 -37.75 88.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.533 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.63 HG13 HG23 ' A' ' 46' ' ' VAL . 7.4 p -107.39 -52.93 6.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -174.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.63 HG23 HG13 ' A' ' 45' ' ' VAL . 49.9 t -72.13 -38.53 63.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.537 -174.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.654 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 1.6 m-85 -84.65 39.08 0.72 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.135 0.493 . . . . 0.0 110.585 -177.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -133.82 -49.99 0.83 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.746 -178.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -63.18 126.35 27.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.531 -173.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.3 p -65.4 -40.03 92.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.675 -175.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 51' ' ' LEU . 4.3 mm? -70.62 -52.23 22.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.789 -0.187 . . . . 0.0 111.133 -178.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 88.2 t -59.76 -49.54 83.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.949 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.85 97.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.659 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -69.74 -50.72 40.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.757 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -58.92 -42.93 90.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.898 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -67.81 -49.64 61.16 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.074 -177.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -67.74 -30.65 70.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.897 -175.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -74.05 -51.04 17.05 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.147 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -74.49 -33.57 62.87 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -172.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -117.47 136.52 53.15 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.568 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.3 t -75.14 110.19 9.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.59 ' HB3' ' CD1' ' A' ' 8' ' ' PHE . 12.2 m120 -80.52 105.13 11.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.795 -175.188 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.442 HD23 HG22 ' A' ' 29' ' ' VAL . 64.7 tp -106.36 126.3 52.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.955 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.687 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 54.3 tttm -96.27 118.94 33.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.335 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 38.3 mtt -137.04 102.52 4.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.278 0.561 . . . . 0.0 111.292 177.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.31 140.37 58.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.473 -0.785 . . . . 0.0 108.921 174.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.432 ' SD ' HG11 ' A' ' 81' ' ' VAL . 45.8 mtm -77.14 1.46 18.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.309 0.576 . . . . 0.0 110.71 176.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -113.18 97.23 6.37 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 167.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.652 ' HG2' ' H ' ' A' ' 70' ' ' GLY . 17.0 ttmm 176.53 179.85 0.19 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 113.783 -1.553 . . . . 0.0 108.398 -168.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.652 ' H ' ' HG2' ' A' ' 69' ' ' LYS . . . -56.71 -69.06 1.39 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.172 -0.537 . . . . 0.0 112.45 177.164 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.566 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 2.3 mp0 -77.99 -10.75 59.75 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.884 -0.186 . . . . 0.0 111.117 178.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -58.18 -49.17 78.19 Favored Glycine 0 C--N 1.329 0.187 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.782 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.6 p -64.85 -32.71 59.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.686 0.279 . . . . 0.0 110.427 178.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.482 ' O ' ' HB2' ' A' ' 78' ' ' LYS . 43.1 tt0 -66.04 -50.59 63.63 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 81.9 mt -60.23 -40.53 90.52 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.285 0.366 . . . . 0.0 111.458 -177.273 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.453 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 53.0 ttt180 -61.05 -42.15 97.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.057 0.456 . . . . 0.0 110.613 -178.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -76.62 -35.71 57.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.559 0.695 . . . . 0.0 110.753 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 72.1 tttt -68.17 -49.23 62.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.681 -171.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.623 ' CE1' HG21 ' A' ' 96' ' ' VAL . 92.8 m-85 -101.37 13.37 35.24 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.775 -175.124 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.41 56.75 22.82 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.521 -0.763 . . . . 0.0 113.214 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.453 ' HB ' ' HG3' ' A' ' 76' ' ' ARG . 58.2 t -79.22 105.66 8.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.053 0.454 . . . . 0.0 110.798 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -109.33 22.89 15.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.302 0.572 . . . . 0.0 110.139 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -129.39 -172.53 2.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.618 176.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.765 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 59.1 m-85 -92.83 -52.32 0.27 Allowed Pre-proline 0 C--N 1.325 -0.463 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.188 177.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.765 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 71.7 Cg_endo -98.0 143.58 0.6 Allowed 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 122.388 2.058 . . . . 0.0 112.145 172.236 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 80.6 m -150.27 119.56 6.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.115 0.483 . . . . 0.0 110.657 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.666 HD12 HD23 ' A' ' 100' ' ' LEU . 47.6 mt -93.35 117.83 30.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.885 -178.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.592 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 34.1 tp -104.36 125.08 50.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -176.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.52 ' CE1' HG23 ' A' ' 113' ' ' VAL . 45.2 m-85 -107.41 113.7 27.22 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.282 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.773 HG12 HG22 ' A' ' 96' ' ' VAL . 65.9 mt -122.21 141.68 41.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.55 -176.111 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.511 ' HA ' HD12 ' A' ' 26' ' ' LEU . 18.1 p30 -92.46 168.84 11.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.522 176.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.6 m -61.91 -21.42 64.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.983 -176.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.7 p -79.99 0.34 32.0 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.872 0.368 . . . . 0.0 111.9 -177.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.26 -33.76 6.07 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.988 173.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -77.15 164.24 25.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.387 0.613 . . . . 0.0 111.968 -176.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.773 HG22 HG12 ' A' ' 90' ' ' ILE . 67.9 t -100.23 128.09 52.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.661 -177.014 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 30.0 m -88.9 -37.47 10.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.125 -178.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -163.12 155.45 18.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.114 -178.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -135.33 137.61 42.59 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 175.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.666 HD23 HD12 ' A' ' 87' ' ' LEU . 59.4 tp -106.79 109.48 21.4 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.27 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.0 p -85.57 102.78 11.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.617 0.723 . . . . 0.0 110.305 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 120.78 -166.11 13.93 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.515 -176.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -160.02 115.61 2.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.669 0.271 . . . . 0.0 110.626 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.685 ' HB3' ' HB2' ' A' ' 108' ' ' GLU . 0.8 OUTLIER -85.94 169.46 13.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.362 177.081 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -69.78 174.82 4.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.071 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.593 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -48.19 -54.47 24.82 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -170.037 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.593 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 24.3 Cg_exo -63.41 -47.51 7.55 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 121.834 1.69 . . . . 0.0 112.167 -178.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.685 ' HB2' ' HB3' ' A' ' 104' ' ' GLU . 44.0 mm-40 -68.29 -37.07 80.28 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.096 -176.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.409 ' HA ' HD22 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -60.71 -46.65 89.56 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -179.586 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 43.3 tp -62.46 -32.46 73.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.652 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -73.14 -42.02 63.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.452 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.513 ' HG2' ' O ' ' A' ' 108' ' ' GLU . 31.0 mmmt -64.89 -44.57 89.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.213 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.52 HG23 ' CE1' ' A' ' 89' ' ' PHE . 7.3 p -66.78 -41.52 88.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.029 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -66.55 -51.73 53.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.617 0.246 . . . . 0.0 111.053 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 89.3 mt -76.43 -12.89 60.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.539 -177.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.56 -36.82 47.93 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.372 173.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 61.0 t -84.29 -36.44 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.224 0.535 . . . . 0.0 109.983 176.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -84.25 71.74 10.6 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.5 p -75.79 150.27 37.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.998 -174.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -88.12 -27.91 21.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.519 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.842 0 CA-C-O 118.701 -1.055 . . . . 0.0 111.873 -177.949 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.728 0.299 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.444 ' HB2' ' H ' ' A' ' 3' ' ' ALA . 0.2 OUTLIER -91.36 -99.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.122 0.487 . . . . 0.0 109.997 -177.802 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.444 ' H ' ' HB2' ' A' ' 2' ' ' GLN . . . -149.88 20.42 0.89 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 174.551 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -71.84 -32.04 67.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.308 -173.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.89 ' HA3' ' HB3' ' A' ' 47' ' ' PHE . . . 155.99 -160.54 30.13 Favored Glycine 0 N--CA 1.442 -0.928 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.319 178.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.513 ' H ' ' HD2' ' A' ' 47' ' ' PHE . 80.8 mt -68.43 133.83 31.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.953 0.406 . . . . 0.0 111.6 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.92 115.96 28.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.805 172.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -72.63 159.07 34.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.12 0.486 . . . . 0.0 111.311 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 9' ' ' ARG . 15.1 mtm180 -118.54 115.0 23.68 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 174.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -81.54 111.45 17.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.529 0.68 . . . . 0.0 110.302 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.476 HD21 ' HB3' ' A' ' 15' ' ' GLU . 15.4 tp -145.72 165.48 28.65 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.361 -175.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.1 m -82.21 156.63 24.31 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.648 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 64.7 t80 -56.61 -56.51 31.56 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-O 119.032 -0.508 . . . . 0.0 112.248 -172.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.648 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 67.5 Cg_exo -50.13 -43.55 42.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 122.25 1.966 . . . . 0.0 113.122 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.476 ' HB3' HD21 ' A' ' 11' ' ' LEU . 37.9 mt-10 -65.18 -54.12 34.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.743 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.22 -32.83 72.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.251 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.527 HD11 ' HA ' ' A' ' 92' ' ' SER . 21.4 tp -61.72 -50.25 73.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.748 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -55.9 -42.2 75.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.711 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -62.97 -43.12 99.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.78 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.71 -51.44 68.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.546 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -60.62 -37.43 81.43 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -175.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.6 t -89.2 -51.29 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -173.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -99.46 -24.82 14.65 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -167.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -128.54 -145.04 0.29 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -176.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.529 ' HB3' HD12 ' A' ' 26' ' ' LEU . 51.8 mttp -125.66 -85.47 0.63 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' A' ' 25' ' ' LYS . 7.2 mp -102.73 162.92 12.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.01 0.434 . . . . 0.0 110.875 -177.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.31 117.85 35.79 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.243 -176.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -93.0 107.09 18.95 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 177.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.59 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 39.9 t -102.01 113.68 39.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.939 0.399 . . . . 0.0 111.382 -175.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -90.89 115.85 28.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.793 174.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 76.1 m -117.57 113.56 22.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.171 0.51 . . . . 0.0 110.342 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -133.39 154.86 50.4 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.782 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.411 HG23 ' H ' ' A' ' 35' ' ' TRP . 11.4 t -106.06 173.2 6.42 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.136 173.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 m -73.0 -3.13 24.14 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -174.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.461 ' HB2' ' CD1' ' A' ' 84' ' ' TYR . 80.3 m95 -80.1 103.98 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.7 m 61.5 -175.23 0.13 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.262 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.94 64.84 0.56 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.277 -0.963 . . . . 0.0 113.16 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.19 -41.19 53.34 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.489 2.126 . . . . 0.0 112.163 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.52 ' HA ' HD12 ' A' ' 42' ' ' LEU . 37.6 t -63.93 -30.96 72.0 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.91 0.386 . . . . 0.0 110.49 179.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -69.65 -28.97 66.34 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.182 0.515 . . . . 0.0 110.608 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -75.24 -31.12 60.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.255 0.55 . . . . 0.0 109.852 176.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 39' ' ' CYS . 95.4 mt -63.12 -33.19 74.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.349 175.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.638 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 14.0 m -61.36 -33.28 73.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.781 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -68.44 -56.39 8.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.179 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.518 HG23 HG23 ' A' ' 46' ' ' VAL . 7.3 m -84.36 -45.73 17.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -172.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.518 HG23 HG23 ' A' ' 45' ' ' VAL . 59.4 t -80.67 -49.12 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.891 0.377 . . . . 0.0 111.629 -173.333 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.89 ' HB3' ' HA3' ' A' ' 5' ' ' GLY . 11.5 m-85 -71.25 -5.27 30.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.953 -173.102 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -75.3 -26.49 58.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.692 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -73.94 128.59 35.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.812 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.9 p -69.53 -46.82 65.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.253 -175.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.17 -42.24 89.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.768 -176.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.3 t -66.29 -32.81 59.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.416 177.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.97 -51.75 51.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.572 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -59.07 -39.35 81.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.655 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -59.97 -57.7 11.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.356 -177.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 60' ' ' PHE . 32.1 m-85 -71.27 -39.57 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -177.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.419 ' HA ' ' OD1' ' A' ' 62' ' ' ASN . 4.0 t-20 -68.85 -41.41 78.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.56 -175.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.5 ttp85 -88.86 -36.97 15.69 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -172.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -88.91 -19.27 26.02 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.421 -174.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.492 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 79.7 m-85 -130.14 158.51 39.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.82 0.343 . . . . 0.0 110.664 -176.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 64.9 t -89.93 116.52 31.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.419 ' OD1' ' HA ' ' A' ' 57' ' ' ASN . 8.5 m120 -81.43 100.74 9.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.991 0.424 . . . . 0.0 110.352 -176.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.44 HD11 ' O ' ' A' ' 11' ' ' LEU . 45.4 tp -105.53 128.87 53.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.417 -178.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -116.79 120.07 37.39 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.403 ' CE ' ' H ' ' A' ' 71' ' ' GLU . 13.4 ttt -142.45 150.31 40.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.217 0.532 . . . . 0.0 111.097 -177.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -88.81 156.47 18.94 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.629 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 57.7 mtt -85.78 2.72 44.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.256 0.551 . . . . 0.0 110.573 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -113.34 -40.36 3.9 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.366 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -90.82 134.28 34.56 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.326 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.78 -116.85 5.52 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.479 -0.782 . . . . 0.0 113.696 169.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.403 ' H ' ' CE ' ' A' ' 65' ' ' MET . 33.9 mt-10 -94.32 4.27 54.09 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 122.584 0.354 . . . . 0.0 111.104 -174.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 76' ' ' ARG . . . -57.33 -45.5 92.76 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.668 -178.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.93 -32.77 58.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.897 0.38 . . . . 0.0 111.31 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -68.47 -52.21 34.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.2 -178.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.559 ' HA ' ' HB3' ' A' ' 78' ' ' LYS . 79.0 mt -66.04 -30.74 71.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.319 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 24.7 ttt180 -54.37 -51.06 65.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.477 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -77.02 -29.53 55.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.242 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.559 ' HB3' ' HA ' ' A' ' 75' ' ' LEU . 14.9 tppt? -59.12 -50.67 73.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.899 0.38 . . . . 0.0 111.175 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.593 ' HD1' ' HD3' ' A' ' 99' ' ' ARG . 87.5 m-85 -96.04 -3.97 43.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.935 -175.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 64.37 33.89 88.44 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.556 177.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.467 HG11 HG21 ' A' ' 86' ' ' THR . 20.4 m -85.52 135.59 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 CA-C-O 121.187 0.517 . . . . 0.0 111.274 -176.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -126.08 7.47 7.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.622 176.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.75 -179.6 7.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.755 -177.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.861 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 54.1 m-85 -96.21 -55.66 0.21 Allowed Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.337 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.861 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 11.1 Cg_endo -95.19 114.86 0.17 Allowed 'Trans proline' 0 N--CA 1.449 -1.121 0 C-N-CA 122.652 2.235 . . . . 0.0 112.128 172.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.467 HG21 HG11 ' A' ' 81' ' ' VAL . 41.7 m -124.6 119.52 29.28 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.069 0.461 . . . . 0.0 110.49 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.502 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 3.2 mm? -100.0 119.47 38.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.151 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.59 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 97.5 mt -110.69 129.67 55.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.741 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.61 ' HE2' HD23 ' A' ' 100' ' ' LEU . 27.5 m-85 -112.71 106.3 14.64 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.544 HD12 HG21 ' A' ' 29' ' ' VAL . 63.0 mt -117.69 142.39 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.767 -168.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -87.66 -174.3 4.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.891 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.527 ' HA ' HD11 ' A' ' 17' ' ' LEU . 5.4 p -71.38 -26.9 62.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 112.066 -176.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.556 ' HB3' ' HG2' ' A' ' 95' ' ' GLU . 43.4 t -75.79 -18.64 59.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.129 0.49 . . . . 0.0 110.937 177.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.417 ' HA2' ' HZ ' ' A' ' 13' ' ' PHE . . . 98.17 14.05 40.34 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.583 -0.817 . . . . 0.0 111.758 -175.219 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.556 ' HG2' ' HB3' ' A' ' 93' ' ' SER . 9.1 mm-40 -92.54 139.32 30.7 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.8 p -89.82 133.49 31.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.775 0.322 . . . . 0.0 110.157 177.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 30.3 m -82.83 -30.38 8.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.908 0.385 . . . . 0.0 110.894 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -166.98 143.81 4.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.461 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.593 ' HD3' ' HD1' ' A' ' 79' ' ' TYR . 73.1 mtm180 -106.25 121.55 44.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.901 -178.259 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.724 HD21 ' HB3' ' A' ' 112' ' ' LYS . 0.2 OUTLIER -97.02 132.34 42.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.022 179.566 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 37.7 t -118.11 114.8 46.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.03 -158.17 32.85 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.521 -0.847 . . . . 0.0 111.229 -176.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -158.83 144.93 16.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.02 0.438 . . . . 0.0 111.447 -178.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -116.39 -175.22 2.71 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.635 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -65.87 169.04 7.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.702 -0.227 . . . . 0.0 110.825 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.568 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -49.67 -52.16 53.31 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 -172.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.568 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 33.3 Cg_exo -62.84 -38.84 45.59 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 121.986 1.791 . . . . 0.0 112.307 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.44 -31.66 62.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.232 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.4 tp -60.81 -52.37 65.35 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.213 0.53 . . . . 0.0 109.686 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.9 tp -63.87 -36.69 84.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.16 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -59.11 -47.92 83.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.179 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.724 ' HB3' HD21 ' A' ' 100' ' ' LEU . 30.1 mmmt -61.75 -49.11 77.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.807 -178.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 5.9 p -68.54 -43.6 83.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.113 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -63.81 -39.9 95.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.678 -177.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 115' ' ' LEU . 1.7 tm? -77.5 -31.27 53.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.282 -178.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -64.77 -37.89 94.9 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.139 -0.553 . . . . 0.0 113.209 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 12.4 p -107.05 -12.34 10.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.309 0.575 . . . . 0.0 110.252 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 61.62 59.28 1.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.205 -176.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.1 m 65.21 166.81 0.18 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 114.788 -1.096 . . . . 0.0 112.934 171.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -161.72 -69.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.164 174.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.776 0 CA-C-O 118.648 -1.084 . . . . 0.0 112.103 179.81 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.244 0 CA-C-O 120.663 0.268 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -79.82 -62.42 1.69 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.535 0.684 . . . . 0.0 109.38 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -162.95 21.78 0.09 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.361 -1.291 . . . . 0.0 107.654 175.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -101.06 126.52 47.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.01 -1.45 . . . . 0.0 110.669 -172.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.23 -134.7 7.46 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.409 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.579 HG12 ' HA ' ' A' ' 53' ' ' ALA . 77.1 mt -59.38 122.26 9.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.934 0.397 . . . . 0.0 111.077 177.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -117.59 121.26 40.47 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.806 175.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -80.12 123.56 27.99 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.544 ' NH2' HG13 ' A' ' 61' ' ' VAL . 35.6 mtm-85 -87.17 147.14 25.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.549 -172.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' HG2' ' HD3' ' A' ' 64' ' ' LYS . 39.5 mt-10 -101.05 105.02 16.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.884 0.373 . . . . 0.0 110.952 -175.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.6 mt -129.44 160.62 32.57 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.026 177.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.8 m -74.4 157.7 35.2 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 176.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.735 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 46.6 t80 -54.26 -56.24 28.44 Favored Pre-proline 0 CA--C 1.544 0.712 0 CA-C-O 119.441 -0.314 . . . . 0.0 111.823 -175.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.735 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 31.7 Cg_exo -58.36 -44.79 35.2 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 121.91 1.74 . . . . 0.0 112.512 174.267 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -58.11 -51.28 70.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.918 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.82 95.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.104 -176.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.497 HD11 ' HA ' ' A' ' 92' ' ' SER . 42.9 tp -59.84 -51.8 68.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.274 0.559 . . . . 0.0 110.166 178.128 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -58.6 -44.36 89.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.848 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.9 tpp85 -61.89 -49.01 77.91 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.163 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.512 ' HA ' HG21 ' A' ' 61' ' ' VAL . . . -60.48 -40.32 90.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 177.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -63.53 -38.42 91.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.56 -176.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.8 m -89.65 -40.73 13.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -172.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -100.79 -38.22 8.37 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.135 -0.626 . . . . 0.0 112.327 -173.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -117.97 -138.07 0.35 Allowed 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.443 -171.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -116.15 -66.35 1.09 Allowed 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.162 -168.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 tt -143.47 161.04 39.46 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.846 -171.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.2 tp -87.64 105.27 17.24 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.86 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.414 ' CZ ' HD22 ' A' ' 87' ' ' LEU . 66.0 t80 -104.42 114.99 29.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.079 0.466 . . . . 0.0 109.829 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.577 HG22 HD23 ' A' ' 63' ' ' LEU . 38.6 t -108.28 132.56 55.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.974 -175.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -109.56 120.15 41.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.005 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.588 ' HB2' ' HB ' ' A' ' 86' ' ' THR . 74.5 m -117.38 113.68 22.45 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 177.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.416 ' O ' ' HG2' ' A' ' 67' ' ' MET . 42.3 p90 -103.5 147.55 27.02 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.504 -179.042 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.7 m -99.25 146.17 26.49 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 175.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.29 -9.35 1.48 Allowed 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -171.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -62.95 -44.55 95.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.709 0.29 . . . . 0.0 111.166 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.8 m 57.73 28.55 16.02 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.689 177.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.91 -71.62 0.87 Allowed Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.446 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.495 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 47.1 Cg_exo -55.71 -36.76 95.57 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.017 2.478 . . . . 0.0 112.39 175.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.0 t -58.83 -28.77 66.36 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.053 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -63.64 -45.53 89.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.101 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.416 ' HA ' ' HE2' ' A' ' 44' ' ' LYS . 49.6 mtm180 -67.33 -37.15 82.83 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.055 0.455 . . . . 0.0 110.659 177.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 38' ' ' PRO . 79.3 mt -65.24 -35.84 82.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.794 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.7 m -62.44 -29.91 70.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.742 -177.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' A' ' 41' ' ' ARG . 49.8 mtmt -72.49 -50.43 26.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.938 0.399 . . . . 0.0 111.828 -176.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 46' ' ' VAL . 7.5 p -105.91 -52.52 7.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -173.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.473 HG21 HD22 ' A' ' 42' ' ' LEU . 55.5 t -59.17 -47.34 90.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.584 -175.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -82.71 24.83 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -176.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -134.31 -38.66 0.84 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -60.86 113.17 2.36 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.885 0.374 . . . . 0.0 111.049 -176.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.8 m -69.21 -31.03 69.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.104 -176.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.53 -46.54 79.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.015 0.436 . . . . 0.0 110.702 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.524 HG12 HD11 ' A' ' 6' ' ' ILE . 57.3 t -68.88 -33.97 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.379 176.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.579 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -57.46 -51.23 70.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.663 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.09 -43.25 95.98 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.014 0.435 . . . . 0.0 110.347 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -54.87 -56.39 20.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.338 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -67.27 -52.89 35.2 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -64.72 -30.87 71.9 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -170.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.422 ' NE ' ' HA ' ' A' ' 58' ' ' ARG . 7.1 tpm_? -88.41 -34.89 17.39 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.786 -176.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -88.88 -33.74 17.22 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.726 -174.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -125.44 157.79 36.02 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.544 HG13 ' NH2' ' A' ' 9' ' ' ARG . 91.6 t -89.86 120.83 39.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -86.22 120.92 28.11 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.374 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.577 HD23 HG22 ' A' ' 29' ' ' VAL . 64.7 tp -122.14 125.29 45.84 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.539 -176.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HD3' ' HG2' ' A' ' 10' ' ' GLU . 66.6 tttt -93.71 122.77 36.51 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.45 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 97.3 mmm -129.91 133.61 46.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.012 0.434 . . . . 0.0 110.67 176.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.546 ' HB3' ' HB3' ' A' ' 69' ' ' LYS . 8.6 t70 -91.63 155.51 18.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 177.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' A' ' 32' ' ' PHE . 20.6 mmt -70.06 -28.3 65.34 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.584 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -115.14 16.05 17.02 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.342 -177.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.546 ' HB3' ' HB3' ' A' ' 66' ' ' ASP . 17.9 tppt? -107.79 111.67 23.95 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.83 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.75 -117.68 9.25 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.62 -0.718 . . . . 0.0 113.301 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -72.37 -4.43 29.93 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 122.439 0.296 . . . . 0.0 111.594 -175.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -55.56 -42.57 84.6 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.899 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 28.6 m -67.07 -34.07 67.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.058 0.456 . . . . 0.0 110.756 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.39 -47.53 63.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.005 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.21 -43.94 97.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.949 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.482 ' HG3' ' CG1' ' A' ' 81' ' ' VAL . 17.9 ttp180 -59.79 -43.44 94.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.338 -178.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -76.14 -23.85 54.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.932 0.396 . . . . 0.0 110.569 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -71.65 -50.02 34.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.199 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.404 ' HE1' HG11 ' A' ' 96' ' ' VAL . 94.7 m-85 -90.94 -7.15 52.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.118 -176.227 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 57.72 46.41 92.27 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.168 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.487 HG21 ' OG1' ' A' ' 86' ' ' THR . 6.2 p -74.44 120.78 24.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.626 0.726 . . . . 0.0 111.221 -176.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -109.55 8.27 25.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.352 176.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.4 -179.53 4.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.893 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.804 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 33.9 m-85 -95.33 -55.74 0.22 Allowed Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.095 -177.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.804 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 3.4 Cg_endo -87.94 130.01 2.55 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 122.214 1.942 . . . . 0.0 111.156 174.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.588 ' HB ' ' HB2' ' A' ' 31' ' ' CYS . 3.9 m -127.63 105.43 8.47 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.714 -0.395 . . . . 0.0 110.873 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.737 HD12 HD23 ' A' ' 100' ' ' LEU . 79.0 mt -96.38 137.84 34.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 176.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.573 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 19.8 tp -134.98 128.57 32.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.111 -171.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.637 ' HZ ' HG13 ' A' ' 113' ' ' VAL . 73.9 m-85 -110.64 106.54 15.82 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.293 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 57.3 mt -113.17 132.35 62.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.612 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 34.4 p30 -79.21 171.85 14.61 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.497 ' HA ' HD11 ' A' ' 17' ' ' LEU . 19.3 m -73.38 -1.37 17.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 0.0 111.738 -177.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.9 t -87.25 -31.81 20.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.887 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.82 14.3 8.74 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.441 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -113.19 148.17 35.98 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.767 0.317 . . . . 0.0 110.475 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.404 HG11 ' HE1' ' A' ' 79' ' ' TYR . 7.7 p -86.57 129.82 37.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.284 0.564 . . . . 0.0 110.52 178.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.6 t -93.23 -42.72 13.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.288 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -143.99 137.77 27.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.707 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -118.98 135.52 54.57 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.737 HD23 HD12 ' A' ' 87' ' ' LEU . 55.4 tp -126.37 107.23 10.1 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.059 0.457 . . . . 0.0 110.599 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 15.1 m -102.29 122.54 54.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.057 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.1 150.52 26.85 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -175.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.421 ' HB1' HD13 ' A' ' 109' ' ' LEU . . . -153.28 141.77 20.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.817 0.342 . . . . 0.0 111.573 -176.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -101.31 -174.14 2.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.434 174.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -59.55 170.17 1.11 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.975 0.416 . . . . 0.0 111.899 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.595 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -46.02 -57.49 8.08 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -169.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.595 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 27.4 Cg_exo -62.21 -43.53 23.3 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 121.715 1.61 . . . . 0.0 112.536 -174.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -73.21 -32.9 65.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.788 -176.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.443 ' O ' HG23 ' A' ' 113' ' ' VAL . 54.2 tp -65.09 -51.25 62.45 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.179 174.267 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 55.4 tp -54.47 -46.21 73.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.683 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.58 -38.72 91.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.748 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.418 ' HD2' ' HA ' ' A' ' 112' ' ' LYS . 35.8 tptt -69.05 -38.78 79.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.711 -178.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.637 HG13 ' HZ ' ' A' ' 89' ' ' PHE . 93.2 t -63.95 -46.68 93.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.524 177.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -62.34 -42.85 99.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.64 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.9 tp -72.8 -11.01 60.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.112 0.482 . . . . 0.0 110.772 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -80.11 -22.23 63.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.098 -0.572 . . . . 0.0 111.987 176.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 43.9 t -109.63 -45.32 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.743 0.306 . . . . 0.0 110.367 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 67.85 178.76 0.24 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.548 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.4 m -99.43 -46.29 5.54 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.261 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -103.79 175.33 5.52 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.8 -1.0 . . . . 0.0 111.267 179.044 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -78.8 96.12 5.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.441 0.639 . . . . 0.0 111.098 -176.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.9 81.53 1.15 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.158 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -118.06 -32.39 4.75 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.557 -175.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 94.05 -174.22 33.95 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.677 -0.773 . . . . 0.0 113.152 174.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.555 HG12 ' HA ' ' A' ' 53' ' ' ALA . 19.1 mt -68.72 114.48 5.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.885 0.374 . . . . 0.0 110.481 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -98.01 96.86 8.44 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.135 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.526 ' CB ' ' HB2' ' A' ' 64' ' ' LYS . 77.3 m-85 -71.28 112.32 7.32 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 175.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -68.06 133.37 48.87 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.076 -174.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.7 mp0 -81.39 94.13 6.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.623 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.558 ' HB2' HD13 ' A' ' 63' ' ' LEU . 83.7 mt -113.02 152.65 29.22 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.194 174.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.8 m -81.83 169.3 17.04 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.453 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 63.8 t80 -55.29 -54.52 49.79 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-O 119.573 -0.251 . . . . 0.0 110.96 178.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 20.5 Cg_endo -61.16 -39.65 57.19 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 121.915 1.743 . . . . 0.0 112.32 176.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -58.04 -54.22 49.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.006 0.432 . . . . 0.0 111.542 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.466 ' HB1' HD21 ' A' ' 27' ' ' LEU . . . -63.89 -41.33 97.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.946 -177.034 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.0 tp -63.35 -45.11 92.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.3 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -56.27 -50.52 71.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.837 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.418 ' HA ' ' HD3' ' A' ' 19' ' ' ARG . 23.7 mmt180 -63.13 -36.25 82.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.283 -178.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.594 ' HB1' ' HA ' ' A' ' 92' ' ' SER . . . -58.51 -51.25 70.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.059 0.457 . . . . 0.0 110.751 176.079 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.33 -51.24 66.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.511 -177.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.1 m -79.11 -32.01 14.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -170.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -100.04 -23.04 15.0 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.635 -174.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.6 t70 64.99 90.29 0.09 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.293 0.568 . . . . 0.0 111.89 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -176.49 121.76 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.608 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.591 HD22 ' HA ' ' A' ' 91' ' ' ASN . 72.8 mt -63.3 154.7 30.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.404 0.621 . . . . 0.0 112.014 -172.076 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.701 ' HG ' ' HB ' ' A' ' 61' ' ' VAL . 10.1 mp -101.22 143.78 30.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.662 -174.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.401 ' CZ ' HD22 ' A' ' 87' ' ' LEU . 60.0 t80 -122.12 107.57 12.34 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 168.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.729 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 23.7 t -104.27 127.52 58.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.264 -172.607 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -98.91 112.7 24.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.433 173.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.4 ' SG ' HG12 ' A' ' 29' ' ' VAL . 79.2 m -122.09 112.3 18.06 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.491 ' O ' ' HG2' ' A' ' 67' ' ' MET . 50.4 p90 -127.11 165.65 19.14 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.495 0.664 . . . . 0.0 111.478 -174.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.9 m -99.39 151.63 20.87 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.922 -1.035 . . . . 0.0 108.85 173.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.6 m -43.48 -44.5 5.96 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.141 0.496 . . . . 0.0 110.97 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -82.48 94.2 7.4 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 170.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.576 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 6.6 p -134.05 83.01 2.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.25 0.547 . . . . 0.0 110.939 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.27 -65.4 3.59 Favored Glycine 0 CA--C 1.517 0.208 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.936 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.509 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 9.7 Cg_endo -53.71 -36.82 83.08 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.915 2.41 . . . . 0.0 112.838 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.576 ' HB3' ' HB2' ' A' ' 36' ' ' CYS . 53.0 t -64.62 -50.39 67.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.679 0.276 . . . . 0.0 110.467 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 71.3 mmtt -66.49 -28.33 68.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.822 179.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -63.12 -47.25 83.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.447 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.539 HD21 ' HB1' ' A' ' 103' ' ' ALA . 4.2 pp -78.9 -20.07 50.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.2 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.711 ' O ' ' HB2' ' A' ' 47' ' ' PHE . 71.3 m -58.52 -29.94 66.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 111.63 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -78.91 -46.88 17.51 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.285 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.536 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 6.8 m -89.24 -40.79 13.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -173.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.8 t -78.89 -33.12 15.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 O-C-N 122.186 -0.321 . . . . 0.0 110.844 -177.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.711 ' HB2' ' O ' ' A' ' 43' ' ' SER . 10.2 m-85 -91.05 19.31 5.82 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -176.11 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -113.34 -11.52 13.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.247 0.546 . . . . 0.0 110.206 171.562 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -92.0 114.76 27.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.447 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.7 t -69.62 -32.01 70.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.209 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.48 -42.22 71.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.616 0.246 . . . . 0.0 111.405 -176.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 84.6 t -61.75 -44.13 98.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.03 0.443 . . . . 0.0 110.081 175.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.555 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -61.34 -48.31 81.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.936 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -57.14 -43.31 82.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.132 178.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -56.19 -47.23 78.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.236 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -74.7 -42.23 58.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.608 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.586 ' HA ' ' OD1' ' A' ' 62' ' ' ASN . 26.1 t-20 -61.97 -37.54 85.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.726 -175.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -83.76 -46.84 11.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.977 -176.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 -84.89 -17.63 37.3 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -170.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -137.56 169.44 17.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.996 0.426 . . . . 0.0 110.88 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.701 ' HB ' ' HG ' ' A' ' 27' ' ' LEU . 61.1 t -92.48 121.8 43.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 173.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.586 ' OD1' ' HA ' ' A' ' 57' ' ' ASN . 7.1 m120 -83.57 115.96 22.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.113 -178.394 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.558 HD13 ' HB2' ' A' ' 11' ' ' LEU . 45.8 tp -126.61 129.32 48.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.768 0.318 . . . . 0.0 111.274 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.526 ' HB2' ' CB ' ' A' ' 8' ' ' PHE . 61.0 tttm -114.06 127.82 56.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.062 175.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 30.9 ttm -143.15 122.85 13.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.102 0.477 . . . . 0.0 110.367 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.669 ' HB2' ' HG2' ' A' ' 69' ' ' LYS . 4.1 m-20 -93.96 155.44 17.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.132 -173.254 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.491 ' HG2' ' O ' ' A' ' 32' ' ' PHE . 22.9 mmt -77.91 4.38 12.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.761 -176.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -114.37 9.28 16.84 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.085 0.469 . . . . 0.0 110.333 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.669 ' HG2' ' HB2' ' A' ' 66' ' ' ASP . 69.4 mmtt -104.16 163.86 12.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.726 -178.021 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.25 -16.32 62.29 Favored Glycine 0 N--CA 1.453 -0.197 0 CA-C-N 115.931 -0.577 . . . . 0.0 114.07 -172.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -112.77 -6.44 13.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.289 0.545 . . . . 0.0 110.962 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.56 -46.26 32.82 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.819 -0.705 . . . . 0.0 113.344 -173.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.2 m -68.7 -19.66 24.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 121.034 -0.267 . . . . 0.0 111.076 -175.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -65.45 -52.01 56.08 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.261 0.553 . . . . 0.0 109.658 177.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 76.7 mt -67.08 -36.05 81.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.637 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.497 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 62.0 ttp180 -57.16 -50.44 72.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.222 -179.25 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -73.93 -27.98 61.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.129 0.49 . . . . 0.0 110.512 -177.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -73.64 -32.84 64.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.616 -175.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -115.54 16.06 16.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -173.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.12 28.11 70.81 Favored Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 120.926 -0.654 . . . . 0.0 113.173 174.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.539 HG22 HG21 ' A' ' 86' ' ' THR . 30.6 t -79.86 147.13 6.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.134 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -127.02 -72.07 0.66 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -175.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -153.76 32.22 0.45 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.082 0.467 . . . . 0.0 111.566 -174.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.676 ' HB3' ' HD2' ' A' ' 85' ' ' PRO . 98.6 m-85 -127.4 178.87 1.39 Allowed Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.625 -178.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.676 ' HD2' ' HB3' ' A' ' 84' ' ' TYR . 57.1 Cg_endo -76.59 130.62 11.84 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 121.725 1.617 . . . . 0.0 110.992 163.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.561 HG23 ' HA ' ' A' ' 101' ' ' VAL . 25.2 m -131.66 129.61 41.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.924 0.393 . . . . 0.0 110.937 -176.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.401 HD22 ' CZ ' ' A' ' 28' ' ' PHE . 60.0 mt -94.99 132.78 39.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.155 -176.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.729 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 94.9 mt -120.92 121.79 38.8 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.891 0.377 . . . . 0.0 111.249 -177.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -102.61 106.78 17.51 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.477 HD12 HG21 ' A' ' 29' ' ' VAL . 58.9 mt -114.14 143.27 24.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.027 0.441 . . . . 0.0 111.329 -172.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.591 ' HA ' HD22 ' A' ' 26' ' ' LEU . 92.2 m-20 -87.76 -167.96 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.876 177.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.594 ' HA ' ' HB1' ' A' ' 20' ' ' ALA . 6.8 m -72.87 -43.9 62.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.576 -177.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.4 m -92.7 28.24 2.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.882 0.372 . . . . 0.0 110.381 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 91' ' ' ASN . . . 84.96 -129.55 9.3 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -170.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 56.84 95.99 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 117.241 0.52 . . . . 0.0 111.918 172.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.7 m -66.41 114.15 3.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.242 0.544 . . . . 0.0 110.489 177.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.3 p -77.81 -29.27 15.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.28 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -150.11 141.78 23.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.901 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -123.64 143.81 50.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.039 0.447 . . . . 0.0 110.732 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.1 tt -152.69 108.38 3.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.759 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.561 ' HA ' HG23 ' A' ' 86' ' ' THR . 48.5 t -92.03 105.64 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.18 175.32 14.34 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.083 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.539 ' HB1' HD21 ' A' ' 42' ' ' LEU . . . -144.91 126.69 15.29 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.416 ' H ' HD13 ' A' ' 109' ' ' LEU . 3.9 mm-40 -99.01 169.07 9.69 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.487 -175.067 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.602 ' OD1' ' HD2' ' A' ' 107' ' ' PRO . 1.5 p30 -69.91 166.49 19.4 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 110.224 -0.288 . . . . 0.0 110.224 174.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.591 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -46.1 -54.74 15.83 Favored Pre-proline 0 CA--C 1.54 0.585 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -173.026 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.602 ' HD2' ' OD1' ' A' ' 105' ' ' ASP . 24.3 Cg_exo -63.44 -47.7 7.18 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 122.036 1.824 . . . . 0.0 112.474 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 112' ' ' LYS . 12.1 tp10 -68.96 -32.65 72.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.827 -176.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.416 HD13 ' H ' ' A' ' 104' ' ' GLU . 25.9 tp -67.16 -49.22 65.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.927 -179.008 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 44.2 tp -61.61 -37.84 85.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.428 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.484 ' HG3' HD23 ' A' ' 115' ' ' LEU . 23.7 ttmm -70.07 -35.07 73.95 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.908 176.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 108' ' ' GLU . 6.0 tppt? -63.47 -44.47 94.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.107 -178.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.2 p -72.75 -41.42 61.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.962 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -66.66 -54.68 20.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.605 0.24 . . . . 0.0 111.417 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.484 HD23 ' HG3' ' A' ' 111' ' ' LYS . 4.5 mm? -73.81 -7.43 52.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 111.462 -176.312 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -90.16 -15.97 56.57 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.348 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.57 -52.63 2.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-O 120.662 0.268 . . . . 0.0 111.209 -177.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -83.72 102.77 12.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.958 0.409 . . . . 0.0 110.59 -176.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.9 m -96.49 -81.23 0.42 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.326 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -114.86 96.09 5.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.032 0.444 . . . . 0.0 110.381 -177.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.788 0 CA-C-O 118.702 -1.054 . . . . 0.0 111.31 -178.147 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -146.85 -86.88 0.1 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.815 0.341 . . . . 0.0 110.293 -178.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -154.97 30.49 0.41 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -97.29 -34.66 10.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.816 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 47' ' ' PHE . . . 171.67 162.67 24.33 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.564 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.561 HG12 ' HA ' ' A' ' 53' ' ' ALA . 29.9 mt -64.91 134.16 29.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.873 0.368 . . . . 0.0 110.52 176.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.87 95.28 8.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.761 -178.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.813 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 89.2 m-85 -82.06 139.16 34.62 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.204 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -119.52 136.79 54.19 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.77 96.19 6.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.481 0.658 . . . . 0.0 111.789 -177.389 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.423 HD12 ' HG2' ' A' ' 15' ' ' GLU . 3.3 mm? -112.07 167.52 10.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.54 175.379 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.8 t -70.59 162.02 29.66 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 171.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.64 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 79.3 t80 -59.53 -53.63 63.89 Favored Pre-proline 0 CA--C 1.538 0.488 0 CA-C-O 119.327 -0.368 . . . . 0.0 111.724 -176.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.64 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 52.7 Cg_exo -53.21 -44.88 45.22 Favored 'Trans proline' 0 C--N 1.359 1.098 0 C-N-CA 121.928 1.752 . . . . 0.0 112.181 174.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.645 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 14.6 tp10 -57.89 -55.02 40.29 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.842 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.6 -36.94 82.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.656 -177.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.6 tp -61.73 -49.77 75.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.441 0.639 . . . . 0.0 109.974 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -62.5 -43.44 98.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.922 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.645 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 12.9 mmt180 -57.83 -42.46 84.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.024 178.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.668 ' HA ' ' HB2' ' A' ' 24' ' ' ASP . . . -63.17 -45.63 90.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' OE1' ' HB3' ' A' ' 92' ' ' SER . 7.0 mm-40 -57.09 -37.34 71.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.835 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.7 t -87.81 -55.42 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -176.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -98.94 -33.69 10.75 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -169.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.668 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 15.8 m-20 -110.31 -150.15 0.45 Allowed 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.715 -172.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 50.0 tptt -129.59 -85.37 0.55 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.449 0.166 . . . . 0.0 110.593 178.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.537 ' HG ' ' HA ' ' A' ' 91' ' ' ASN . 8.8 mp -98.75 -176.6 3.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.593 0.235 . . . . 0.0 110.396 177.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.533 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 68.2 tp -110.95 119.81 40.29 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.902 0.382 . . . . 0.0 111.115 -175.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.476 ' HB2' ' CB ' ' A' ' 60' ' ' PHE . 89.1 t80 -98.66 107.38 19.82 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 175.196 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.579 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 39.3 t -95.0 105.0 16.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.749 -177.226 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -90.85 110.53 21.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.137 174.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 97.6 m -123.32 113.63 19.12 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.352 176.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.485 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 21.9 p90 -129.09 165.4 21.3 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.54 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.515 HG22 ' H ' ' A' ' 35' ' ' TRP . 28.2 m -99.36 147.82 24.82 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.091 177.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -57.66 -28.65 63.95 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.515 ' H ' HG22 ' A' ' 33' ' ' THR . 84.3 t90 -57.53 111.13 1.02 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.489 171.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.448 ' HB3' ' HE3' ' A' ' 40' ' ' LYS . 91.3 m -79.51 99.34 7.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.234 0.54 . . . . 0.0 111.537 -174.058 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.8 -116.34 1.86 Allowed Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.367 175.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.466 ' HB2' ' HG3' ' A' ' 85' ' ' PRO . 32.0 Cg_exo -60.43 -28.33 86.54 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 123.023 2.482 . . . . 0.0 112.512 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.7 p -59.19 -35.57 73.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.7 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.448 ' HE3' ' HB3' ' A' ' 36' ' ' CYS . 40.9 ttmt -69.85 -45.53 67.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.741 0.305 . . . . 0.0 110.684 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -66.66 -35.44 80.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.03 0.443 . . . . 0.0 110.217 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.432 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 63.4 tp -60.94 -46.86 88.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.658 177.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.1 t -75.66 -39.56 57.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 -176.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 17.6 tppt? -79.58 -42.44 25.0 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -174.144 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.6 t -94.63 -50.36 11.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -173.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.442 HG13 ' HA ' ' A' ' 106' ' ' ALA . 49.1 t -72.76 -52.31 23.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 111.531 -174.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.438 ' O ' ' HA2' ' A' ' 5' ' ' GLY . 22.6 m-85 -82.21 16.02 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.38 -0.373 . . . . 0.0 112.001 -174.143 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 52.8 tttp -83.89 -31.46 25.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.921 0.391 . . . . 0.0 110.853 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -69.72 139.0 53.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.496 -174.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.9 p -69.08 -37.33 78.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.749 -176.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.49 -41.75 75.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.329 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.0 t -63.89 -44.72 98.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.121 174.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.561 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -56.85 -50.14 73.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.43 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -68.08 -35.48 78.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.431 -177.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -57.89 -51.8 68.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.103 0.478 . . . . 0.0 110.528 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -72.94 -29.88 63.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -70.08 -38.49 75.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.992 0.425 . . . . 0.0 111.493 -178.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -83.73 -40.48 18.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.803 0.335 . . . . 0.0 111.407 -175.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -80.22 -28.01 38.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.41 -174.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.476 ' CB ' ' HB2' ' A' ' 28' ' ' PHE . 78.2 m-85 -136.94 153.95 50.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.236 -177.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.423 HG13 HD12 ' A' ' 27' ' ' LEU . 5.4 p -81.24 127.78 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 168.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -80.18 95.7 6.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.366 -176.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 56.0 tp -104.79 125.5 50.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.593 -178.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.813 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 89.2 tttt -108.2 134.72 50.66 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.241 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.4 mmt -132.03 159.25 39.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.028 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -102.99 157.05 17.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 172.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 41.1 mtt -96.87 -8.84 29.88 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 120.834 0.349 . . . . 0.0 111.351 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -115.0 -40.67 3.45 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.444 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -93.28 117.32 29.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.307 -175.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.97 -116.33 4.64 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.029 -0.605 . . . . 0.0 113.302 172.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -85.98 6.65 27.69 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.345 0.258 . . . . 0.0 111.225 -174.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.26 -57.0 22.02 Favored Glycine 0 N--CA 1.453 -0.172 0 CA-C-N 116.259 -0.428 . . . . 0.0 113.761 -172.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 28.0 m -60.21 -32.67 51.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.806 0.336 . . . . 0.0 111.171 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 44.6 mt-10 -75.35 -46.87 30.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.266 -178.046 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.42 -36.65 84.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.882 0.372 . . . . 0.0 110.609 178.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.688 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 53.4 ttp180 -62.16 -36.99 83.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.183 177.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -76.68 -26.76 55.12 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.465 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 67.8 mmtt -69.47 -49.52 54.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.812 -178.246 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -100.8 2.63 41.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.513 -173.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.43 44.05 91.2 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.434 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.688 ' HB ' ' HG3' ' A' ' 76' ' ' ARG . 58.5 t -76.33 125.8 36.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.721 0.296 . . . . 0.0 110.84 -176.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -127.41 12.75 7.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.321 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.03 177.68 5.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.148 -177.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.714 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 77.6 m-85 -92.3 -51.82 0.28 Allowed Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.714 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 58.4 Cg_endo -94.6 110.04 0.15 Allowed 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.397 2.065 . . . . 0.0 112.03 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.8 m -128.0 136.25 51.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.827 0.346 . . . . 0.0 111.071 -175.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.416 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 5.8 mp -125.92 121.9 34.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.299 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.579 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 3.2 mm? -116.54 125.75 52.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.008 0.433 . . . . 0.0 111.055 178.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -101.68 108.27 19.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.43 176.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.533 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 48.8 mm -110.41 141.25 26.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.723 -174.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.537 ' HA ' ' HG ' ' A' ' 26' ' ' LEU . 16.3 t-20 -74.52 172.0 12.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.089 0.471 . . . . 0.0 110.042 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.4 ' HB3' ' OE1' ' A' ' 21' ' ' GLU . 4.6 m -72.6 -15.91 61.73 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.501 -177.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.503 ' HB2' ' HG2' ' A' ' 95' ' ' GLU . 3.9 m -93.56 6.45 48.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.618 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.04 26.38 62.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.939 -176.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.503 ' HG2' ' HB2' ' A' ' 93' ' ' SER . 23.2 mm-40 -97.15 147.73 23.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.527 -0.336 . . . . 0.0 111.018 -176.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 65.4 t -81.78 108.56 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.971 0.415 . . . . 0.0 110.579 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 64.1 t -86.71 -56.84 4.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -178.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -153.57 127.54 8.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.908 -177.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.441 ' HA ' HD13 ' A' ' 88' ' ' LEU . 17.0 ptp180 -95.78 145.18 25.53 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.382 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.416 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 25.3 tp -136.23 107.65 6.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.139 0.495 . . . . 0.0 110.639 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 62.9 t -101.15 107.98 22.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.514 177.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.86 144.66 16.97 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -175.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -122.03 136.78 54.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.081 0.467 . . . . 0.0 111.412 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -96.35 -175.88 3.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.776 176.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -71.49 168.92 16.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.561 0.219 . . . . 0.0 111.027 179.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.549 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -46.81 -53.52 25.46 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -171.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.549 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 36.4 Cg_exo -59.9 -50.23 8.15 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 121.927 1.752 . . . . 0.0 112.777 -177.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -74.19 -26.36 60.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.7 -175.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.5 tp -66.6 -49.4 66.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.366 0.603 . . . . 0.0 109.787 174.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 54.3 tp -58.32 -34.66 70.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.686 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -67.69 -44.24 78.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.645 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -65.85 -42.22 90.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.096 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.1 -40.06 86.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.49 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -66.07 -45.48 81.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.01 0.433 . . . . 0.0 110.4 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.3 tp -63.98 -30.7 71.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.343 -177.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.41 -45.2 24.9 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.618 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 48.8 t -75.29 -43.28 43.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.62 0.247 . . . . 0.0 110.853 -177.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -71.91 116.96 12.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.5 m -77.7 109.24 11.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.242 0.544 . . . . 0.0 111.682 -176.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -159.48 -53.61 0.06 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 174.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.529 -1.151 . . . . 0.0 112.35 172.056 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 120.766 0.317 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -95.17 6.12 49.91 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.341 0.591 . . . . 0.0 110.271 -178.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.58 ' HB1' ' HE2' ' A' ' 48' ' ' LYS . . . -131.97 108.16 9.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.133 177.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -93.81 -10.9 32.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.737 -174.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 84.14 -137.49 16.03 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.091 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.419 ' H ' ' HB3' ' A' ' 47' ' ' PHE . 60.0 mt -65.89 116.87 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.911 0.386 . . . . 0.0 110.459 178.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.39 92.23 8.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.022 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 62' ' ' ASN . 96.3 m-85 -71.61 137.89 48.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.94 177.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.411 ' O ' HD12 ' A' ' 63' ' ' LEU . 51.9 mtt180 -77.09 156.28 31.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.805 -177.033 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -125.05 94.6 4.22 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 177.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.413 ' H ' HD11 ' A' ' 63' ' ' LEU . 50.7 mt -145.39 167.17 23.58 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.165 -176.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.499 ' HB2' ' HG2' ' A' ' 15' ' ' GLU . 14.7 m -65.22 147.71 52.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 174.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.654 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 65.8 t80 -58.03 -52.71 72.48 Favored Pre-proline 0 CA--C 1.541 0.616 0 CA-C-O 119.4 -0.333 . . . . 0.0 111.873 -177.175 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.654 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 77.0 Cg_exo -51.04 -43.65 46.79 Favored 'Trans proline' 0 C--N 1.362 1.238 0 C-N-CA 122.333 2.022 . . . . 0.0 112.552 174.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.499 ' HG2' ' HB2' ' A' ' 12' ' ' SER . 40.2 mm-40 -59.63 -50.61 73.21 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.988 178.134 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.5 -36.72 84.7 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.082 -177.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.2 tp -61.14 -47.2 87.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.545 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -56.19 -51.5 67.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.132 178.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -61.31 -37.9 84.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.128 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.08 -35.78 79.69 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.222 178.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -69.4 -41.42 76.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.871 0.367 . . . . 0.0 111.188 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.2 t -83.98 -48.93 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.98 -174.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -84.0 -32.18 25.08 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -172.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.664 ' OD2' ' HA ' ' A' ' 60' ' ' PHE . 11.7 t70 -135.5 -132.61 0.15 Allowed 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.551 -171.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.643 ' HG3' ' HG ' ' A' ' 26' ' ' LEU . 4.2 ptpt -151.1 -40.25 0.12 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.592 -171.326 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.643 ' HG ' ' HG3' ' A' ' 25' ' ' LYS . 96.0 mt -135.64 141.62 45.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.056 0.455 . . . . 0.0 110.801 -176.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.58 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 52.6 tp -95.57 115.5 27.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.979 178.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -90.98 107.98 19.55 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.568 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.891 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 38.3 t -99.22 123.1 51.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.948 0.404 . . . . 0.0 111.0 -176.195 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -99.68 105.03 16.81 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.208 176.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.2 m -110.3 142.44 41.93 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.289 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -152.91 167.0 30.56 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.466 -178.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.5 p -98.98 154.97 17.67 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.016 174.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.5 m -73.33 -16.18 61.37 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.203 0.525 . . . . 0.0 109.883 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -61.8 108.86 1.08 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.326 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 66.1 m 59.7 -159.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.527 0.517 . . . . 0.0 110.249 -178.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.07 75.46 0.41 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.314 -0.946 . . . . 0.0 112.246 175.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.55 -46.33 5.54 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.56 2.174 . . . . 0.0 111.984 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.6 t -81.12 -36.37 30.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.112 0.482 . . . . 0.0 109.732 176.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -60.24 -24.48 64.9 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.037 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -57.73 -47.24 83.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.056 175.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.1 mp -72.35 -31.55 65.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.499 -177.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.436 ' HA ' ' HB2' ' A' ' 47' ' ' PHE . 11.2 m -58.4 -29.78 66.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.121 0.486 . . . . 0.0 110.837 177.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.421 ' HB2' ' NZ ' ' A' ' 44' ' ' LYS . 4.2 ttmp? -69.56 -58.99 3.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.512 -177.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.5 t -110.78 -53.11 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -177.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 73.6 t -55.96 -49.98 72.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -173.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.436 ' HB2' ' HA ' ' A' ' 43' ' ' SER . 19.5 m-30 -73.37 1.81 8.89 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -175.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.58 ' HE2' ' HB1' ' A' ' 3' ' ' ALA . 4.4 mmmp? -92.33 -11.12 35.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.706 0.288 . . . . 0.0 110.584 176.231 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -65.61 126.09 27.26 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.2 m -69.26 -35.38 76.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.645 -173.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.3 mt -69.21 -52.44 27.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.753 0.311 . . . . 0.0 111.228 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.57 HG21 ' HB1' ' A' ' 106' ' ' ALA . 78.2 t -62.91 -44.48 99.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.188 -178.15 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.93 -48.93 79.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.998 0.428 . . . . 0.0 110.375 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.53 -36.75 79.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.173 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -65.49 -59.27 4.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.108 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -64.51 -30.96 71.99 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -177.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -72.23 -44.47 62.86 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.7 ttp-105 -89.44 -34.96 16.27 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -175.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.478 ' O ' ' HE3' ' A' ' 25' ' ' LYS . 86.0 m-70 -88.83 -12.55 41.62 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -173.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.664 ' HA ' ' OD2' ' A' ' 24' ' ' ASP . 85.3 m-85 -148.14 176.1 10.49 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.451 HG23 ' CB ' ' A' ' 24' ' ' ASP . 82.1 t -111.59 117.55 55.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 171.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.431 ' HB2' ' CD1' ' A' ' 8' ' ' PHE . 4.3 p30 -97.18 132.71 42.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.458 0.647 . . . . 0.0 111.556 -177.031 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.413 HD11 ' H ' ' A' ' 11' ' ' LEU . 15.1 tp -136.29 129.61 31.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.709 -177.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.481 ' HD3' ' O ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -96.45 150.75 20.26 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.548 178.905 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 53.4 ttm -148.93 128.12 12.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.823 0.344 . . . . 0.0 110.842 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -70.81 155.71 40.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.712 173.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 43.1 ttm -94.01 -8.34 40.21 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.2 0.524 . . . . 0.0 110.706 -177.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -114.88 15.49 17.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.218 0.533 . . . . 0.0 110.361 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -149.76 151.82 34.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.328 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.01 46.68 90.72 Favored Glycine 0 CA--C 1.517 0.217 0 O-C-N 123.426 0.454 . . . . 0.0 113.826 172.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 67.84 15.61 9.61 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 122.751 0.42 . . . . 0.0 112.05 176.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.99 -32.72 81.21 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.152 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.77 -32.91 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.943 0.401 . . . . 0.0 110.487 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -67.86 -43.24 79.91 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.508 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 78.8 mt -66.49 -33.95 76.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.568 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -55.18 -50.11 70.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.514 176.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -74.16 -32.08 62.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.996 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -61.79 -49.16 77.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.271 -176.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -96.0 -4.19 43.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.402 -176.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.74 51.61 55.75 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.269 -0.491 . . . . 0.0 112.223 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.9 p -70.82 134.3 30.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.101 0.477 . . . . 0.0 111.368 -176.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -110.37 -6.92 14.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.847 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -110.17 -176.32 2.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.007 -176.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.564 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 94.0 m-85 -92.75 -47.0 0.31 Allowed Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -177.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.564 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 95.5 Cg_endo -92.56 147.32 2.76 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 121.871 1.714 . . . . 0.0 112.117 174.023 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.6 m -151.66 128.29 10.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.733 0.302 . . . . 0.0 111.067 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.696 HD12 HD23 ' A' ' 100' ' ' LEU . 86.4 mt -109.08 130.54 55.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.976 0.417 . . . . 0.0 109.893 176.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.891 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 3.1 mm? -116.83 139.72 50.28 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.819 -175.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -114.9 106.14 13.82 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 176.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.58 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 46.2 mm -102.35 136.33 35.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.894 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.465 HD21 ' HG3' ' A' ' 95' ' ' GLU . 33.9 p30 -91.1 178.81 5.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.976 0.417 . . . . 0.0 110.951 -178.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 t -75.87 -13.94 60.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 -175.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.8 t -74.06 -21.36 59.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.44 177.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 97.19 29.9 7.7 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.149 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.465 ' HG3' HD21 ' A' ' 91' ' ' ASN . 8.6 pt-20 -142.59 167.34 22.33 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.6 p -84.84 137.16 21.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.254 0.55 . . . . 0.0 111.012 -176.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 12.9 p -95.69 -31.77 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.819 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -166.16 150.5 7.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.647 ' HD3' ' H ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -121.63 134.25 54.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 177.596 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.696 HD23 HD12 ' A' ' 87' ' ' LEU . 32.9 tp -111.2 114.21 27.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.387 -177.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 44.6 t -102.08 101.19 11.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.916 0.389 . . . . 0.0 110.065 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.56 135.06 8.61 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.923 -0.655 . . . . 0.0 111.691 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -127.05 141.89 51.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.937 0.399 . . . . 0.0 110.757 -176.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -100.58 -175.61 2.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.373 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -60.52 169.56 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.436 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.595 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -48.46 -55.42 19.24 Favored Pre-proline 0 CA--C 1.542 0.637 0 N-CA-C 113.372 0.878 . . . . 0.0 113.372 -173.252 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.595 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 24.1 Cg_exo -63.7 -46.27 9.34 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 121.872 1.715 . . . . 0.0 112.474 -178.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -67.92 -29.5 68.6 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.046 -177.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.7 tp -58.94 -55.84 29.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.92 0.391 . . . . 0.0 110.973 178.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 107' ' ' PRO . 3.1 pp -64.7 -31.17 72.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.289 -176.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -68.93 -51.23 42.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.236 0.541 . . . . 0.0 110.063 175.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -59.26 -38.78 80.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.677 -176.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.477 ' O ' HG22 ' A' ' 117' ' ' VAL . 12.2 p -70.61 -40.39 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.861 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -61.67 -49.19 77.51 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 120.804 0.335 . . . . 0.0 111.446 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.78 -24.8 59.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.022 0.439 . . . . 0.0 110.873 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -70.91 -50.08 25.41 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.629 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 113' ' ' VAL . 30.8 m -84.43 2.81 3.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.943 0.401 . . . . 0.0 110.914 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 64.17 -171.7 0.18 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.395 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.4 m -146.89 121.19 9.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.543 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -83.43 139.71 32.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.682 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.845 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.493 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.643 0.259 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -159.38 -58.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.598 -0.273 . . . . 0.0 110.333 177.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 55.11 72.0 0.5 Allowed 'General case' 0 C--O 1.233 0.21 0 O-C-N 123.805 0.69 . . . . 0.0 111.41 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -74.49 96.18 2.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.59 0.709 . . . . 0.0 109.81 177.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.491 ' HA2' ' O ' ' A' ' 47' ' ' PHE . . . 117.0 100.42 2.13 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -173.179 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.581 HG23 ' HB1' ' A' ' 53' ' ' ALA . 9.9 pt -58.91 148.01 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.035 0.445 . . . . 0.0 111.942 -177.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -103.87 123.15 46.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.974 -170.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.708 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 90.3 m-85 -67.49 103.36 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.768 172.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -82.76 141.77 32.11 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -106.62 121.25 43.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.111 -169.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 44.0 mt -137.91 161.11 37.51 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.728 175.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.6 t -76.27 165.76 24.42 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.091 177.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.502 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 74.4 t80 -55.02 -53.02 66.12 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.055 -177.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 11.3 Cg_endo -55.41 -34.44 89.09 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.237 1.958 . . . . 0.0 112.769 178.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 19' ' ' ARG . 16.7 mm-40 -70.29 -53.68 15.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.87 178.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.89 -38.41 88.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.085 -177.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.0 tp -57.14 -54.01 51.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.534 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -64.86 -41.37 95.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.79 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -57.79 -45.91 85.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.685 -178.459 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.63 -31.14 67.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.917 0.389 . . . . 0.0 110.769 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -70.47 -46.16 64.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.631 -178.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.9 m -77.89 -31.11 16.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -174.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -90.9 -18.69 24.33 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.654 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.3 t70 55.53 76.95 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.731 0.777 . . . . 0.0 110.541 -175.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -142.35 151.79 42.26 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.412 177.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.12 112.43 9.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.291 0.567 . . . . 0.0 109.958 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.3 tp -75.11 128.27 35.13 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.493 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -113.59 104.31 12.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.574 176.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.705 HG22 HD23 ' A' ' 63' ' ' LEU . 56.1 t -98.67 117.62 43.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.429 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -79.77 99.02 7.27 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 173.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.624 ' HB3' ' SD ' ' A' ' 67' ' ' MET . 86.6 m -97.31 111.56 23.75 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 174.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -120.49 160.08 23.87 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.034 -172.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.736 ' HB ' ' CE3' ' A' ' 35' ' ' TRP . 17.5 p -100.72 148.58 24.73 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 167.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.7 t -76.77 11.1 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.847 0.356 . . . . 0.0 111.521 -174.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.736 ' CE3' ' HB ' ' A' ' 33' ' ' THR . 1.1 m-90 -66.02 83.08 0.08 Allowed 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 173.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 64.2 m 70.87 -52.58 0.68 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.837 0.855 . . . . 0.0 111.516 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.39 82.7 1.09 Allowed Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.404 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 32.5 Cg_exo -58.38 -38.39 90.63 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.82 2.347 . . . . 0.0 112.424 -176.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.7 p -67.56 -20.15 65.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.701 -178.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -65.16 -54.02 36.12 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.942 0.401 . . . . 0.0 110.144 176.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 41' ' ' ARG . 20.5 ttt180 -63.33 -37.95 89.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.391 179.104 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.612 ' O ' HG22 ' A' ' 46' ' ' VAL . 95.6 mt -62.36 -46.52 88.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.755 177.147 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.4 t -53.17 -34.21 55.94 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 122.699 0.4 . . . . 0.0 111.572 -176.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.85 -35.63 81.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.993 -177.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 51.4 t -108.69 -46.81 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -172.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 42' ' ' LEU . 16.6 m -77.14 -21.93 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -170.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.491 ' O ' ' HA2' ' A' ' 5' ' ' GLY . 28.1 m-85 -113.92 24.67 11.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.855 0.36 . . . . 0.0 111.276 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -88.84 -30.52 18.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.94 -175.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -72.0 135.09 46.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.968 -177.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.9 t -68.24 -41.71 80.79 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.557 -175.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.2 mt -68.9 -49.55 57.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.748 0.308 . . . . 0.0 110.822 -177.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 96.3 t -59.79 -45.24 94.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.704 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.581 ' HB1' HG23 ' A' ' 6' ' ' ILE . . . -57.58 -50.83 71.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.812 -176.265 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -63.99 -50.86 66.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.449 -177.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -61.9 -46.41 89.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.976 -177.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -67.91 -51.55 46.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.249 -175.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.554 ' HB2' HG21 ' A' ' 6' ' ' ILE . 12.6 t30 -68.8 -30.81 69.46 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -171.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.454 HH11 ' HD2' ' A' ' 58' ' ' ARG . 45.1 mtm180 -86.75 -24.81 24.98 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.281 -0.568 . . . . 0.0 112.384 -177.061 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -91.98 -39.36 11.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.909 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -110.37 117.35 33.39 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.6 t -73.38 115.99 15.06 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.414 -175.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -80.75 110.17 16.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.167 0.508 . . . . 0.0 110.291 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.705 HD23 HG22 ' A' ' 29' ' ' VAL . 52.7 tp -114.7 142.81 46.0 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.66 178.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.708 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 29.6 ttmt -116.05 121.01 40.94 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 84.1 mtp -138.75 150.78 46.49 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.798 0.332 . . . . 0.0 110.444 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -90.86 158.92 16.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.307 0.575 . . . . 0.0 110.629 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.624 ' SD ' ' HB3' ' A' ' 31' ' ' CYS . 53.1 mtm -115.01 5.17 14.91 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.582 178.124 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -114.34 -40.28 3.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.627 175.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -118.87 150.51 39.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.171 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 74.41 54.3 6.22 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.94 -0.648 . . . . 0.0 113.133 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 64.89 21.03 12.27 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.062 0.458 . . . . 0.0 111.221 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.51 -32.31 71.37 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.679 -177.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 29.6 m -59.66 -33.75 52.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.755 0.312 . . . . 0.0 111.25 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -67.04 -44.64 79.66 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 178.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.4 -47.32 86.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.66 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' HA ' ' CG2' ' A' ' 81' ' ' VAL . 53.4 ttp180 -54.68 -47.96 72.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.625 -177.088 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -76.48 -30.86 57.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.691 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -71.39 -41.33 69.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.275 -173.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.561 ' HA ' ' NH1' ' A' ' 99' ' ' ARG . 50.1 m-85 -102.35 6.32 40.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.528 -174.013 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 61.21 58.26 14.35 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.606 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.609 HG21 ' SD ' ' A' ' 67' ' ' MET . 67.3 t -73.67 117.86 18.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.122 0.486 . . . . 0.0 110.893 -178.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -134.99 35.09 3.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.963 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -149.76 -177.1 5.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.012 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.888 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 63.8 m-85 -92.16 -56.17 0.25 Allowed Pre-proline 0 C--N 1.327 -0.411 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.662 176.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.888 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 8.8 Cg_endo -90.96 118.29 0.58 Allowed 'Trans proline' 0 N--CA 1.449 -1.1 0 C-N-CA 122.369 2.046 . . . . 0.0 111.252 170.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.575 ' HB ' ' HB2' ' A' ' 31' ' ' CYS . 6.5 m -116.14 121.14 41.26 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.887 0.375 . . . . 0.0 110.528 -178.338 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.683 HD11 ' HB2' ' A' ' 103' ' ' ALA . 5.9 mp -97.93 108.99 21.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.192 -175.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.583 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 3.9 mm? -95.79 130.62 42.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.157 0.503 . . . . 0.0 111.254 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -120.35 105.02 10.5 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.731 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.7 mp -118.08 140.08 42.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.49 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -82.83 172.02 13.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.575 -178.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.2 m -62.48 -18.91 62.9 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.941 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.4 m -89.07 2.5 53.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.227 -178.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 82.47 0.72 90.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.368 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -91.88 159.82 15.59 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.3 m -90.91 137.05 22.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.152 0.501 . . . . 0.0 110.758 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 42.9 t -96.42 -55.33 6.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.914 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -141.52 144.01 34.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.686 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.561 ' NH1' ' HA ' ' A' ' 79' ' ' TYR . 47.2 mtt180 -108.91 141.02 41.59 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 177.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.476 HD23 HD22 ' A' ' 87' ' ' LEU . 45.0 tp -152.46 111.23 3.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.159 0.504 . . . . 0.0 111.862 -175.069 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.517 HG12 HG23 ' A' ' 86' ' ' THR . 25.1 m -101.15 128.35 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.793 172.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.72 135.71 8.99 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.537 -176.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.683 ' HB2' HD11 ' A' ' 87' ' ' LEU . . . -118.67 143.23 46.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.901 0.381 . . . . 0.0 111.473 -174.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.496 ' HB3' ' HB2' ' A' ' 108' ' ' GLU . 70.3 mm-40 -105.1 -175.34 2.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.294 176.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.451 ' HA ' HG12 ' A' ' 46' ' ' VAL . 1.2 p-10 -75.9 173.36 11.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.8 175.275 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.528 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -51.56 -50.87 74.45 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -172.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 43.3 Cg_exo -58.2 -46.41 25.37 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.857 1.704 . . . . 0.0 112.473 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 104' ' ' GLU . 31.0 mm-40 -71.91 -27.9 63.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.082 -179.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 45.0 tp -60.08 -57.56 12.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.036 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.405 ' HA ' HG22 ' A' ' 113' ' ' VAL . 93.7 mt -60.92 -31.77 71.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.578 178.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.459 ' O ' ' HG ' ' A' ' 115' ' ' LEU . 23.1 tptm -62.37 -52.05 65.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.414 177.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -69.54 -37.77 77.22 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -175.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.405 HG22 ' HA ' ' A' ' 110' ' ' LEU . 35.5 m -64.36 -39.75 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.223 0 CA-C-N 118.096 0.407 . . . . 0.0 111.173 -179.449 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -67.61 -34.47 77.06 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.268 176.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 97.4 mt -73.48 -33.27 64.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.052 0.454 . . . . 0.0 110.768 178.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -69.24 -42.04 76.96 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.859 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 32.4 m -90.27 -19.36 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 122.721 -0.282 . . . . 0.0 111.015 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 56.16 82.83 0.1 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.365 -174.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.8 t -68.78 100.94 1.23 Allowed 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.811 -176.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -149.45 90.3 1.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.847 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.828 -0.984 . . . . 0.0 111.585 -179.34 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.939 0.4 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -115.81 -178.4 3.38 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 175.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.25 92.43 9.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.082 0.468 . . . . 0.0 110.508 177.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -92.6 -29.81 15.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.342 176.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -130.34 -137.91 4.25 Favored Glycine 0 N--CA 1.44 -1.053 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.493 177.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.0 mt -80.96 115.62 23.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.82 118.63 30.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.669 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.636 ' HE2' ' HE2' ' A' ' 47' ' ' PHE . 96.6 m-85 -91.34 141.34 28.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.549 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.599 ' HG2' ' O ' ' A' ' 62' ' ' ASN . 19.4 ptp180 -103.69 121.03 42.12 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.151 0.501 . . . . 0.0 109.666 177.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -87.56 101.82 13.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.177 0.513 . . . . 0.0 111.03 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.8 mt -125.33 165.24 18.72 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.385 174.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.427 ' HB2' ' HG2' ' A' ' 15' ' ' GLU . 3.0 m -67.31 154.61 40.91 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 173.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.445 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 89.8 t80 -53.86 -54.56 45.29 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-O 119.694 -0.193 . . . . 0.0 111.357 -178.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 19.5 Cg_endo -59.7 -38.17 82.76 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 121.96 1.773 . . . . 0.0 112.526 176.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.427 ' HG2' ' HB2' ' A' ' 12' ' ' SER . 55.3 mm-40 -60.14 -51.55 69.12 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.091 0.472 . . . . 0.0 111.066 178.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HB2' HD13 ' A' ' 63' ' ' LEU . . . -68.61 -35.0 76.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.93 -177.317 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.5 tp -63.45 -41.38 98.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.455 0.645 . . . . 0.0 109.448 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -60.56 -45.59 93.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.406 176.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -58.71 -41.74 87.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.919 175.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.66 -32.93 73.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.053 0.454 . . . . 0.0 110.936 177.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -67.65 -50.07 59.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.1 t -73.88 -43.41 52.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.722 -174.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -78.5 -17.73 55.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.936 -178.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.2 t70 67.35 21.23 9.84 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.505 0.669 . . . . 0.0 111.306 173.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -109.57 165.21 11.84 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.055 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.414 HD12 ' HE1' ' A' ' 60' ' ' PHE . 91.3 mt -74.9 143.11 43.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.677 -177.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.624 ' HB3' HG23 ' A' ' 90' ' ' ILE . 60.4 tp -90.58 113.97 26.11 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.776 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -90.94 106.0 18.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.326 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.657 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 39.5 t -93.3 110.43 23.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 120.929 0.395 . . . . 0.0 110.81 -176.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -91.06 107.87 19.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.09 176.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.9 m -116.59 113.51 22.82 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.105 176.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -129.93 155.42 46.09 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.075 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.06 157.66 16.59 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 176.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.8 p -57.48 -28.43 63.38 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -176.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 13.7 m-90 -67.97 102.63 1.32 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.958 0.408 . . . . 0.0 109.933 175.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.7 m -90.65 110.64 21.8 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -176.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.15 -94.83 0.72 Allowed Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.726 178.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.575 ' HG2' ' HG3' ' A' ' 85' ' ' PRO . 13.0 Cg_endo -57.82 -28.35 81.98 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 123.003 2.469 . . . . 0.0 112.499 177.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.6 t -64.68 -27.37 68.87 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.554 178.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -70.22 -42.15 72.67 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -60.16 -45.59 92.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.245 0.545 . . . . 0.0 109.682 176.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.579 HD13 ' HB1' ' A' ' 103' ' ' ALA . 45.7 tp -56.98 -51.98 67.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.928 178.274 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.69 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 21.1 m -66.57 -31.14 71.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.416 -177.462 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -66.32 -36.62 83.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.51 -176.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.575 HG13 HG23 ' A' ' 46' ' ' VAL . 13.1 p -105.31 -45.55 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -173.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.575 HG23 HG13 ' A' ' 45' ' ' VAL . 61.7 t -79.17 -43.16 24.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.072 -175.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.69 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 8.2 m-85 -80.28 38.73 0.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -171.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -134.42 -10.63 2.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.079 0.466 . . . . 0.0 110.555 173.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.438 ' OD1' ' HG ' ' A' ' 51' ' ' LEU . 12.1 t70 -85.41 131.86 34.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.921 -175.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.1 t -70.92 -55.53 8.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.8 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.517 ' H ' HD23 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -70.87 -39.32 72.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.806 -170.585 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 82.3 t -63.15 -45.45 98.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.856 0.36 . . . . 0.0 110.291 177.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.37 -45.93 88.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -59.68 -44.42 93.64 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.642 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -55.32 -50.44 69.6 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.048 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -68.19 -49.16 62.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.12 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -62.03 -30.07 70.71 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.838 0.351 . . . . 0.0 111.533 -175.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -80.98 -46.19 15.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.698 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -87.2 -21.98 25.55 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -173.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.414 ' HE1' HD12 ' A' ' 26' ' ' LEU . 41.8 m-85 -128.13 134.55 49.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.525 HG23 HD12 ' A' ' 27' ' ' LEU . 3.8 m -83.57 110.28 18.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.305 0.574 . . . . 0.0 109.684 174.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.599 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 18.9 m120 -80.59 103.45 10.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.174 -172.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.43 ' HG ' ' HG3' ' A' ' 65' ' ' MET . 58.1 tp -99.83 127.99 45.95 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.748 -178.21 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -93.32 117.51 30.17 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.419 176.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.43 ' HG3' ' HG ' ' A' ' 63' ' ' LEU . 86.7 mtp -127.75 112.99 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.084 0.469 . . . . 0.0 110.604 177.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.575 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 4.4 m-20 -68.37 136.06 52.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.432 179.155 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 50.6 mtt -74.22 -15.57 60.99 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.259 0.552 . . . . 0.0 111.116 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -114.49 36.39 3.8 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.095 0.95 . . . . 0.0 109.626 -174.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.592 ' HG2' ' H ' ' A' ' 70' ' ' GLY . 77.4 tttt -105.84 -179.74 4.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.027 -1.442 . . . . 0.0 110.126 -176.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.592 ' H ' ' HG2' ' A' ' 69' ' ' LYS . . . -58.69 -31.32 67.22 Favored Glycine 0 C--N 1.334 0.451 0 C-N-CA 121.684 -0.293 . . . . 0.0 112.906 179.012 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.541 ' O ' HD23 ' A' ' 75' ' ' LEU . 2.9 mp0 -107.43 7.43 28.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.023 0.44 . . . . 0.0 110.173 176.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.95 -46.1 68.89 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.962 -0.637 . . . . 0.0 113.342 -172.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.3 m -69.2 -22.64 26.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.503 0.192 . . . . 0.0 110.813 -175.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.64 -54.9 24.53 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 174.152 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' ' 71' ' ' GLU . 2.5 mm? -58.39 -36.0 72.87 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.655 178.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.463 ' HG2' ' CG2' ' A' ' 81' ' ' VAL . 12.0 mtp180 -58.62 -44.37 89.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.644 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -76.5 -41.3 47.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.042 0.448 . . . . 0.0 110.459 178.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -57.8 -49.21 77.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.256 -176.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -104.01 2.94 32.84 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.846 -176.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 53.31 63.89 4.67 Favored Glycine 0 C--N 1.333 0.412 0 CA-C-N 115.528 -0.76 . . . . 0.0 113.03 176.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.495 HG12 HG21 ' A' ' 86' ' ' THR . 19.3 m -83.36 143.35 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-O 121.085 0.469 . . . . 0.0 110.895 -177.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -137.37 -22.03 1.15 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.312 176.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.1 176.82 6.82 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 174.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.597 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 36.1 m-85 -91.15 -49.19 0.34 Allowed Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.597 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 98.6 Cg_endo -90.05 110.04 0.41 Allowed 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 121.508 1.472 . . . . 0.0 112.212 174.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.495 HG21 HG12 ' A' ' 81' ' ' VAL . 37.8 m -131.71 118.28 19.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.923 0.392 . . . . 0.0 110.691 -179.193 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.585 HD12 HD23 ' A' ' 100' ' ' LEU . 82.6 mt -109.07 143.36 38.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.536 -175.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.657 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 3.0 mm? -128.63 141.81 51.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.882 0.373 . . . . 0.0 111.485 -177.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -115.99 114.87 25.2 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.241 174.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.624 HG23 ' HB3' ' A' ' 27' ' ' LEU . 15.3 tt -130.03 145.68 35.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.918 0.389 . . . . 0.0 111.41 -173.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -80.88 169.74 17.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.917 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -63.7 -27.07 68.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.171 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 p -81.89 -7.43 59.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.537 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.571 ' HA2' HD11 ' A' ' 90' ' ' ILE . . . 90.32 32.81 9.2 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.305 -0.95 . . . . 0.0 112.082 -177.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -104.28 130.67 52.09 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.471 -0.196 . . . . 0.0 110.471 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.2 t -86.71 114.53 26.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 27.3 m -88.86 -28.1 5.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.14 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -165.54 138.26 4.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.139 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.594 ' HD2' ' H ' ' A' ' 99' ' ' ARG . 0.8 OUTLIER -112.12 140.51 46.75 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 175.534 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.585 HD23 HD12 ' A' ' 87' ' ' LEU . 33.0 tp -124.73 126.79 46.23 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.012 0.434 . . . . 0.0 110.997 -176.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 49.1 t -124.03 109.91 24.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.784 177.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.12 158.26 19.77 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.475 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.579 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -145.41 115.06 7.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.077 0.465 . . . . 0.0 111.534 -174.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -100.94 -174.9 2.73 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.064 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.24 162.93 3.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 177.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.591 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -47.63 -54.24 24.44 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -172.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.591 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 25.4 Cg_exo -62.67 -38.58 49.29 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.689 1.593 . . . . 0.0 111.953 -179.165 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -69.11 -44.51 72.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.571 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.408 HD22 HD11 ' A' ' 42' ' ' LEU . 37.6 tp -60.14 -50.56 73.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.978 178.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.482 ' HA ' HG22 ' A' ' 113' ' ' VAL . 54.0 tp -60.23 -37.33 80.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.07 179.521 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.463 ' O ' HD23 ' A' ' 115' ' ' LEU . 26.1 tptp -60.66 -45.52 93.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.006 0.432 . . . . 0.0 109.995 178.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -61.0 -53.91 51.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.528 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.482 HG22 ' HA ' ' A' ' 110' ' ' LEU . 17.9 m -67.88 -34.63 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.212 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.916 -175.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.543 ' O ' ' HB2' ' A' ' 118' ' ' GLU . 23.5 ttmm -63.43 -39.8 95.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.783 0.325 . . . . 0.0 110.891 -179.323 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 111' ' ' LYS . 4.5 mm? -75.71 -12.6 60.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.978 0.418 . . . . 0.0 110.983 178.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -91.58 -44.53 4.25 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.383 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 62.4 t -84.15 -43.64 17.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -176.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.543 ' HB2' ' O ' ' A' ' 114' ' ' LYS . 0.5 OUTLIER -74.29 87.55 1.99 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 111.574 -177.018 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.3 t 65.69 98.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.993 173.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -82.74 -32.2 28.0 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 172.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.08 -1.4 . . . . 0.0 110.983 178.694 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.867 0.365 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.2 mp0 -127.68 172.69 10.55 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.32 65.21 7.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.276 0.56 . . . . 0.0 109.682 174.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -108.93 -51.62 2.86 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.77 -178.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.74 -145.57 48.94 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.529 -0.76 . . . . 0.0 113.545 176.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.46 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 64.9 mt -81.21 121.1 34.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.014 0.435 . . . . 0.0 110.214 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.83 103.19 15.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.597 -177.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.767 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 64.2 m-85 -83.72 119.42 24.77 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.039 178.265 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -83.53 119.11 24.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.761 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -80.98 97.0 7.28 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.14 -178.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.479 HD22 ' HG2' ' A' ' 15' ' ' GLU . 94.5 mt -122.38 167.32 13.43 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.063 -178.157 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.468 ' OG ' ' HB2' ' A' ' 15' ' ' GLU . 49.7 p -82.39 176.69 9.23 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 176.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -57.84 -56.97 29.07 Favored Pre-proline 0 CA--C 1.54 0.564 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.49 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -64.33 -36.69 43.98 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 121.794 1.663 . . . . 0.0 112.279 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.479 ' HG2' HD22 ' A' ' 11' ' ' LEU . 6.4 tp10 -58.9 -49.58 77.24 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.786 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.88 99.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.435 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 17' ' ' LEU . 1.3 tm? -61.22 -49.77 75.78 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.425 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -60.9 -40.87 94.72 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.899 177.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.476 ' HA ' HG22 ' A' ' 22' ' ' VAL . 10.3 tpp180 -60.98 -43.66 98.5 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.045 -178.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.512 ' HA ' HG21 ' A' ' 61' ' ' VAL . . . -62.67 -35.63 80.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.918 0.389 . . . . 0.0 110.793 178.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -76.14 -43.33 43.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.471 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.476 HG22 ' HA ' ' A' ' 19' ' ' ARG . 35.9 m -69.46 -29.8 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -175.269 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -94.51 -16.7 23.09 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.165 174.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.9 t70 56.19 71.66 0.55 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.294 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.449 ' HB2' HG23 ' A' ' 61' ' ' VAL . 96.8 mttt -143.05 174.55 10.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.603 -177.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.444 HD12 ' HE1' ' A' ' 60' ' ' PHE . 91.2 mt -81.27 135.24 35.71 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 176.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.5 tp -90.65 113.04 25.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.781 -176.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -99.47 108.42 20.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.347 176.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.536 ' HB ' ' HB3' ' A' ' 88' ' ' LEU . 31.3 t -99.7 113.39 34.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.519 -177.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -87.14 109.67 19.61 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 175.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.521 ' HB2' ' HB ' ' A' ' 86' ' ' THR . 62.4 m -110.39 111.87 23.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.849 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.456 ' O ' ' HB2' ' A' ' 67' ' ' MET . 45.4 p90 -123.14 154.11 39.09 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.844 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.723 ' HB ' ' HD1' ' A' ' 35' ' ' TRP . 12.6 p -99.63 160.39 14.33 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.149 0.5 . . . . 0.0 110.917 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.06 11.54 6.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.189 -177.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.723 ' HD1' ' HB ' ' A' ' 33' ' ' THR . 35.2 m95 -76.11 -74.84 0.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.062 -175.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.8 m -119.31 -164.04 1.02 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -177.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.09 61.92 0.63 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.411 -0.9 . . . . 0.0 113.233 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -66.62 -26.49 46.28 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.208 1.938 . . . . 0.0 110.888 175.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.2 m -68.71 -26.79 65.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.513 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -67.88 -44.86 76.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.786 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -63.62 -36.99 85.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.208 176.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.0 tp -60.37 -41.55 93.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.296 175.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.65 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 25.8 m -65.89 -30.39 70.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.334 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -59.3 -45.22 91.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.042 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.7 t -97.67 -51.29 10.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.009 -174.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.9 t -76.92 -46.61 29.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -171.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.65 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 5.0 m-85 -74.7 10.87 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -172.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -104.18 -17.7 14.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.9 0.381 . . . . 0.0 110.485 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.745 ' HB3' HG22 ' A' ' 52' ' ' VAL . 9.2 t70 -72.25 127.67 33.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.062 -178.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.2 m -69.63 -32.1 70.59 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.509 -177.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.6 tp -72.05 -50.19 30.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.051 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.745 HG22 ' HB3' ' A' ' 49' ' ' ASP . 19.6 m -57.21 -39.2 65.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.98 0.419 . . . . 0.0 111.71 -175.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.64 -52.89 63.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.316 178.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.63 -34.18 76.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.437 0.636 . . . . 0.0 109.96 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.428 ' O ' ' HB2' ' A' ' 59' ' ' HIS . 42.5 t80 -54.19 -58.72 6.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.623 -1.171 . . . . 0.0 110.56 177.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -76.98 -50.01 14.15 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -176.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.401 ' HA ' ' ND2' ' A' ' 62' ' ' ASN . 90.8 m-20 -60.64 -33.65 73.1 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -171.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -89.55 -42.73 11.26 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 55' ' ' TYR . 58.5 m-70 -82.34 -30.56 30.31 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -173.363 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.444 ' HE1' HD12 ' A' ' 26' ' ' LEU . 67.6 m-85 -122.44 166.03 15.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.933 0.397 . . . . 0.0 111.35 -173.305 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.512 HG21 ' HA ' ' A' ' 20' ' ' ALA . 62.1 t -95.19 110.22 23.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 173.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' A' ' 57' ' ' ASN . 33.7 m-80 -92.98 111.14 22.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.907 0.384 . . . . 0.0 110.54 -176.288 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.431 HD23 HG13 ' A' ' 29' ' ' VAL . 50.9 tp -109.89 136.94 48.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.24 -176.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.767 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 56.7 tttm -114.7 122.11 45.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.982 175.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 85.3 mtp -136.27 158.48 44.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.475 0.178 . . . . 0.0 110.584 178.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.95 156.13 17.06 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.25 0.548 . . . . 0.0 110.762 177.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.485 ' SD ' ' HB3' ' A' ' 31' ' ' CYS . 4.8 tpt -95.23 -21.39 18.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.123 -0.944 . . . . 0.0 112.766 -166.551 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -113.98 93.8 4.53 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.825 0.821 . . . . 0.0 109.852 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.439 ' HG2' ' H ' ' A' ' 71' ' ' GLU . 21.8 ttmm -163.3 160.99 24.44 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 113.874 -1.512 . . . . 0.0 107.478 -177.269 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -53.49 -39.9 60.94 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.114 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.439 ' H ' ' HG2' ' A' ' 69' ' ' LYS . 2.4 mp0 -80.4 -37.39 32.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.667 0.27 . . . . 0.0 110.819 177.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.88 -43.74 98.79 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.819 -178.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.0 p -67.24 -28.63 43.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.871 0.367 . . . . 0.0 110.562 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -69.3 -46.02 68.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.184 0.516 . . . . 0.0 109.907 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 82.8 mt -67.25 -34.72 78.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.592 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -60.44 -39.15 86.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.213 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -76.33 -36.2 58.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.445 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -63.12 -38.53 91.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.7 -174.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -109.63 -9.16 14.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.287 -176.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.2 26.81 73.72 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.409 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.606 ' HB ' HG21 ' A' ' 86' ' ' THR . 15.7 m -86.67 102.57 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 CA-C-O 121.573 0.702 . . . . 0.0 111.009 -177.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -123.88 77.0 1.49 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.605 0.717 . . . . 0.0 110.553 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.82 -163.36 1.61 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.218 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.889 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 25.4 m-85 -107.92 -58.31 0.05 OUTLIER Pre-proline 0 C--N 1.322 -0.609 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.166 176.308 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.889 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 15.3 Cg_endo -94.8 105.34 0.12 Allowed 'Trans proline' 0 N--CA 1.445 -1.372 0 C-N-CA 122.245 1.963 . . . . 0.0 110.784 169.344 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.606 HG21 ' HB ' ' A' ' 81' ' ' VAL . 23.8 m -117.73 122.79 44.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.003 0.43 . . . . 0.0 111.685 -174.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.1 mp -104.04 111.4 23.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.556 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.536 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 40.0 tp -109.84 123.33 49.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.8 -176.444 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -104.27 114.32 28.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.188 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.487 HG22 ' O ' ' A' ' 91' ' ' ASN . 56.0 mt -123.4 145.86 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.454 -176.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.553 ' HB2' ' HB2' ' A' ' 95' ' ' GLU . 84.6 m-20 -74.74 167.78 21.14 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 173.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.9 p -68.48 -36.54 79.1 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.698 -172.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 t -80.53 -8.52 59.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.075 0.464 . . . . 0.0 110.699 -178.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 101.17 70.14 0.88 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.525 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.553 ' HB2' ' HB2' ' A' ' 91' ' ' ASN . 49.0 mt-10 -138.2 144.26 40.59 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.515 -0.179 . . . . 0.0 110.515 178.184 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.9 t -77.99 113.92 17.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.671 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.529 HG11 HG13 ' A' ' 117' ' ' VAL . 31.0 t -92.08 -61.5 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.406 178.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -146.09 138.11 25.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.234 -175.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -110.94 113.62 26.32 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.564 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 48.9 tp -120.33 127.57 52.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.069 0.461 . . . . 0.0 111.227 -174.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.1 t -109.04 116.21 51.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.267 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.95 157.47 29.28 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.149 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -125.91 141.55 51.93 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' H ' HD13 ' A' ' 109' ' ' LEU . 36.8 mt-10 -123.48 -179.46 4.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.754 -174.183 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.97 155.82 15.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.61 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -49.04 -56.58 14.83 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -172.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.61 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 27.3 Cg_exo -62.23 -35.93 71.53 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.674 1.582 . . . . 0.0 112.191 -178.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 33.9 tt0 -74.08 -40.75 62.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.436 -178.296 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.455 ' O ' HG23 ' A' ' 113' ' ' VAL . 27.3 tp -65.51 -48.83 71.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.325 178.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 106' ' ' ALA . 96.5 mt -52.86 -40.37 63.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.667 177.008 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -66.21 -42.01 89.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.5 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 108' ' ' GLU . 33.4 mmtp -65.58 -38.11 88.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.218 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 109' ' ' LEU . 89.6 t -63.67 -52.4 57.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.628 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -63.4 -40.14 96.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 111.174 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 61.4 tp -66.9 -40.95 87.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.383 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -81.31 -44.64 7.9 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.497 -0.858 . . . . 0.0 113.316 -175.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.529 HG13 HG11 ' A' ' 97' ' ' VAL . 59.0 t -81.43 -48.36 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -173.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -81.92 87.09 6.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.261 0.553 . . . . 0.0 111.448 -175.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 13.8 p -117.31 167.91 10.81 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.362 174.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.12 142.24 44.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.951 0.405 . . . . 0.0 110.705 178.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.567 -1.129 . . . . 0.0 111.178 -179.065 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.01 0 CA-C-O 120.887 0.375 . . . . 0.0 110.719 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -92.77 119.62 32.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.978 0.418 . . . . 0.0 110.998 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.28 79.06 8.64 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 173.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -93.14 -174.97 3.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.31 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.75 -175.22 17.83 Favored Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -175.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.593 HG22 ' HB3' ' A' ' 47' ' ' PHE . 2.3 tp -96.78 142.29 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.635 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.322 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.91 88.72 3.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.286 0.565 . . . . 0.0 111.097 -176.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 62' ' ' ASN . 96.4 m-85 -65.39 145.42 56.18 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.916 174.571 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.459 ' O ' HD12 ' A' ' 63' ' ' LEU . 33.5 mmt180 -83.77 115.12 22.06 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 175.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' C ' HD12 ' A' ' 11' ' ' LEU . 24.1 mt-10 -94.18 91.53 6.82 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.555 0.693 . . . . 0.0 109.298 178.1 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.433 HD13 ' HB3' ' A' ' 9' ' ' ARG . 6.1 mp -140.04 168.48 19.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.059 -174.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.4 m -62.02 151.75 34.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.226 175.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.497 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 82.1 t80 -54.95 -52.74 68.33 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -176.364 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 11.5 Cg_endo -55.13 -37.88 93.85 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.252 1.968 . . . . 0.0 112.707 178.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.608 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 55.5 mm-40 -66.73 -47.38 72.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.341 179.247 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.422 ' HB2' HD13 ' A' ' 63' ' ' LEU . . . -58.99 -45.36 90.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.919 0.39 . . . . 0.0 111.057 -178.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.8 tp -63.41 -44.59 94.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.013 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HB2' ' HE3' ' A' ' 18' ' ' LYS . 38.1 ttmt -55.28 -47.4 75.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.529 177.337 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 11.9 mmt180 -63.24 -39.95 96.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.028 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.71 -46.6 78.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.808 0.337 . . . . 0.0 110.482 176.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -54.57 -45.4 73.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.438 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.0 t -85.91 -54.49 8.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -173.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -93.53 -29.35 15.56 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -167.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.463 ' HB3' HG23 ' A' ' 61' ' ' VAL . 6.8 t70 -125.74 -143.99 0.31 Allowed 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.0 -0.68 . . . . 0.0 111.437 -173.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HE3' ' HB3' ' A' ' 25' ' ' LYS . 5.8 ptpp? -129.24 -40.0 1.49 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -170.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.42 ' HG ' ' HG3' ' A' ' 25' ' ' LYS . 96.7 mt -142.33 166.16 25.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.794 0.331 . . . . 0.0 110.6 -176.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.565 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 55.6 tp -116.83 112.71 21.48 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.271 179.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -92.8 106.58 18.53 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.414 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.786 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 39.0 t -97.96 110.55 25.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.069 0.461 . . . . 0.0 111.134 -175.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -86.65 111.67 20.88 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.597 174.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 65' ' ' MET . 73.2 m -111.52 113.23 25.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.135 0.493 . . . . 0.0 109.992 178.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -124.25 156.51 36.74 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.438 0.637 . . . . 0.0 110.921 -175.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.409 ' C ' ' H ' ' A' ' 35' ' ' TRP . 22.4 m -101.95 159.47 15.33 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.549 171.107 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.7 t -65.65 2.82 0.87 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.181 0.515 . . . . 0.0 111.557 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.443 ' HD1' ' HD2' ' A' ' 38' ' ' PRO . 58.7 t-105 -59.5 125.51 23.92 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.235 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.6 p -83.2 27.72 0.56 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.268 -0.423 . . . . 0.0 112.005 -174.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.01 -113.06 3.66 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.644 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.522 ' HB2' ' HG3' ' A' ' 85' ' ' PRO . 72.7 Cg_exo -50.45 -38.61 53.9 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.673 2.915 . . . . 0.0 113.809 -177.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 70.1 m -59.7 -33.87 72.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.776 0.322 . . . . 0.0 111.475 -178.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -79.99 -43.71 21.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.899 0.381 . . . . 0.0 110.678 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -62.7 -37.41 86.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.639 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.474 HD13 ' HB1' ' A' ' 103' ' ' ALA . 60.4 tp -57.01 -44.08 82.45 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.965 178.284 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.0 m -70.98 -30.78 67.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -82.08 -28.41 32.36 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -175.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.1 t -95.0 -54.24 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.541 -0.463 . . . . 0.0 111.566 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.67 HG11 HD23 ' A' ' 109' ' ' LEU . 47.9 t -83.82 -58.69 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.881 -173.008 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.593 ' HB3' HG22 ' A' ' 6' ' ' ILE . 25.0 m-85 -78.57 -11.27 59.95 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -169.385 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -77.65 -23.82 49.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.078 0.466 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -73.25 128.61 35.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.039 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.1 m -57.62 -42.61 83.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.842 -176.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.1 mp -71.54 -42.33 68.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.732 0.301 . . . . 0.0 110.922 -177.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.411 HG13 HD11 ' A' ' 110' ' ' LEU . 75.5 t -69.76 -45.35 77.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.388 -178.285 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.79 -46.02 88.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.969 0.414 . . . . 0.0 110.578 177.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.37 -40.49 96.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.401 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -59.61 -48.74 80.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.662 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -66.24 -42.9 87.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.221 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.586 ' HB2' HD11 ' A' ' 6' ' ' ILE . 25.8 t-20 -61.48 -39.76 92.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.81 -177.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.798 ' NE ' ' HA ' ' A' ' 58' ' ' ARG . 1.3 mmp_? -89.04 -23.76 22.49 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -176.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -87.88 -23.2 24.02 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.166 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.408 ' HD2' ' HB2' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -150.9 167.22 28.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.463 HG23 ' HB3' ' A' ' 24' ' ' ASP . 78.3 t -85.66 120.55 35.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 171.339 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.533 HD22 ' N ' ' A' ' 62' ' ' ASN . 0.8 OUTLIER -84.84 119.77 25.7 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.83 -176.034 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 9' ' ' ARG . 46.1 tp -114.68 138.08 51.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.143 179.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.463 ' HB2' ' CB ' ' A' ' 8' ' ' PHE . 37.0 ttmt -105.75 127.98 53.42 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 177.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.474 ' HG2' HD22 ' A' ' 75' ' ' LEU . 55.3 tpp -137.95 136.82 37.36 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.836 -178.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.447 ' O ' ' HA3' ' A' ' 72' ' ' GLY . 18.6 t70 -87.12 156.26 19.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 176.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 13.1 mmt -78.34 -15.54 58.62 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.746 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -119.14 -55.95 2.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.539 -177.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HD2' ' HA ' ' A' ' 69' ' ' LYS . 44.1 tptt -88.82 162.58 16.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.709 -175.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . 73.42 29.0 64.66 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.342 178.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 0.8 OUTLIER 68.62 20.09 8.4 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.837 0.351 . . . . 0.0 110.618 -177.756 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.447 ' HA3' ' O ' ' A' ' 66' ' ' ASP . . . -55.24 -32.41 57.23 Favored Glycine 0 C--N 1.333 0.404 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.879 178.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.4 p -59.32 -29.83 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-O 120.658 0.266 . . . . 0.0 111.293 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.42 -42.72 78.52 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.474 HD22 ' HG2' ' A' ' 65' ' ' MET . 6.7 mp -72.11 -40.34 68.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.244 178.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -56.03 -45.62 79.09 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.508 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -71.04 -34.48 71.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.333 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -67.33 -41.82 84.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.883 -172.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -105.12 8.39 34.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.302 -173.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 59.8 35.2 85.72 Favored Glycine 0 C--N 1.332 0.316 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.93 175.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.438 HG21 ' OG1' ' A' ' 86' ' ' THR . 7.4 p -94.96 129.86 44.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.139 0.495 . . . . 0.0 111.002 -176.125 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -113.22 -3.23 13.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.877 176.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.21 173.05 12.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.373 -175.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.718 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 81.7 m-85 -92.33 -50.21 0.29 Allowed Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.828 -177.365 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.718 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 88.9 Cg_endo -94.81 133.15 0.63 Allowed 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 122.132 1.888 . . . . 0.0 111.923 173.064 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.438 ' OG1' HG21 ' A' ' 81' ' ' VAL . 40.1 m -150.94 129.4 12.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.091 0.472 . . . . 0.0 111.622 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.469 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 7.2 mp -104.72 116.14 31.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.018 178.154 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.786 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 92.0 mt -106.19 133.95 50.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.705 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.42 ' CZ ' HG22 ' A' ' 113' ' ' VAL . 41.5 m-85 -113.31 106.33 14.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.207 -179.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.565 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 36.9 mm -107.49 136.81 41.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.194 -176.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.406 ' O ' HG22 ' A' ' 90' ' ' ILE . 35.1 p30 -90.66 176.68 6.58 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 174.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.0 m -62.91 -18.37 62.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.821 0.343 . . . . 0.0 111.491 -177.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.9 t -77.89 -15.63 58.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.046 0.451 . . . . 0.0 110.473 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 89.88 20.2 44.29 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.693 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -120.29 163.68 17.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.661 0.267 . . . . 0.0 110.407 -177.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.2 m -93.53 142.16 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.092 0.472 . . . . 0.0 111.799 -176.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 31.3 m -105.68 -24.25 4.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.329 173.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -161.68 147.62 13.78 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.693 -177.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -123.56 126.08 46.02 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 176.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.469 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 50.4 tp -114.55 109.17 17.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.022 0.439 . . . . 0.0 110.78 -179.037 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 61.2 t -95.94 113.66 30.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.307 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.22 -155.87 16.01 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.474 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -150.61 149.18 29.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.066 0.46 . . . . 0.0 111.497 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.416 ' H ' HD13 ' A' ' 109' ' ' LEU . 76.9 mm-40 -115.18 179.35 3.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.113 175.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -80.21 174.94 11.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 174.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.571 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -53.79 -54.98 40.43 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -172.1 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.571 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 24.2 Cg_exo -63.22 -44.32 15.55 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 121.781 1.654 . . . . 0.0 112.826 -177.123 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -74.62 -27.29 60.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.989 -176.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.67 HD23 HG11 ' A' ' 46' ' ' VAL . 17.8 tp -64.83 -47.01 79.54 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 178.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 10.5 mp -56.61 -38.0 71.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.435 175.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -63.04 -45.9 90.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.375 178.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -58.47 -46.44 86.61 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.951 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 109' ' ' LEU . 43.5 t -67.57 -43.81 86.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.823 -179.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 110' ' ' LEU . 39.1 tttm -64.19 -46.12 85.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.096 -175.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 87.5 mt -76.51 -18.87 58.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.909 0.385 . . . . 0.0 110.704 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -75.91 -31.05 56.66 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.253 178.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 33.5 m -99.19 0.21 10.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.024 0.44 . . . . 0.0 110.9 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -103.94 143.61 32.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.122 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.9 m -86.43 80.74 8.57 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.491 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -63.89 134.9 56.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.792 178.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.811 0 CA-C-O 118.749 -1.028 . . . . 0.0 111.376 -179.008 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -96.91 82.25 3.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.111 0.481 . . . . 0.0 110.258 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.24 5.48 14.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.238 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -63.63 124.09 20.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.855 177.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.662 ' HA2' ' O ' ' A' ' 47' ' ' PHE . . . 131.88 150.49 6.61 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -174.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.967 HG13 ' HA ' ' A' ' 47' ' ' PHE . 52.3 mt -68.49 125.81 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 117.22 0.51 . . . . 0.0 110.361 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.49 83.4 6.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.886 0.374 . . . . 0.0 111.093 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.635 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 17.2 m-85 -71.36 121.34 18.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.911 174.288 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.494 ' O ' HD12 ' A' ' 63' ' ' LEU . 28.7 mtt180 -94.48 124.15 38.34 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.837 -174.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -100.63 95.3 6.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.516 0.674 . . . . 0.0 111.285 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -110.69 169.03 9.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.63 177.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.414 ' HA ' ' OE2' ' A' ' 71' ' ' GLU . 19.7 m -67.36 146.89 53.62 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 175.071 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.452 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 81.1 t80 -57.05 -55.03 48.29 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -174.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 17.7 Cg_endo -57.85 -40.38 79.04 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.891 1.727 . . . . 0.0 112.034 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -63.21 -49.6 73.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.41 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.14 -37.65 88.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.892 -177.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.9 tp -65.16 -42.91 93.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.487 0.661 . . . . 0.0 109.962 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -57.87 -50.33 73.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.002 175.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -58.95 -46.08 88.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.503 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.65 -39.51 68.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 111.386 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.455 ' HA ' ' OG ' ' A' ' 92' ' ' SER . 37.3 tt0 -70.08 -45.47 66.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.914 -178.219 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.2 m -75.66 -28.07 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.942 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -77.83 -18.73 55.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.9 t70 59.26 50.79 7.46 Favored 'General case' 0 N--CA 1.46 0.056 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.644 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HB3' ' HA ' ' A' ' 60' ' ' PHE . 43.7 mmtm -137.13 153.6 50.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.801 -178.303 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.738 ' HB2' ' HB3' ' A' ' 60' ' ' PHE . 88.8 mt -64.01 141.71 58.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.134 175.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.595 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 61.0 tp -92.33 101.2 13.68 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.414 ' CZ ' HD22 ' A' ' 87' ' ' LEU . 88.4 t80 -92.51 107.29 19.1 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.007 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.584 HG22 HD23 ' A' ' 63' ' ' LEU . 38.4 t -102.68 124.21 56.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.021 -176.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -99.92 117.84 35.08 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.264 175.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 75.9 m -122.52 111.76 17.21 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 173.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -112.53 154.36 26.06 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.106 0.479 . . . . 0.0 111.368 -174.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.454 HG21 ' HA ' ' A' ' 83' ' ' ALA . 35.7 m -100.27 149.05 23.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.107 175.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.8 p -70.93 16.42 0.09 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.425 ' H ' ' C ' ' A' ' 33' ' ' THR . 8.0 t90 -67.21 -23.32 65.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.278 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.9 m 59.78 29.71 19.27 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.327 175.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.47 -108.24 1.54 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.213 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.94 -31.38 81.51 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.758 2.305 . . . . 0.0 112.494 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 76.5 m -55.72 -48.02 75.89 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.811 0.339 . . . . 0.0 111.536 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -75.36 -37.0 60.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.819 0.342 . . . . 0.0 110.821 -174.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 41' ' ' ARG . 19.4 mtm180 -71.07 -33.23 70.04 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.579 178.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.792 HD11 HD22 ' A' ' 109' ' ' LEU . 43.8 tp -63.0 -45.34 92.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.071 0.462 . . . . 0.0 109.807 174.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.729 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 33.8 m -61.04 -30.7 70.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.9 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -78.73 -22.19 46.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.371 -177.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.466 HG12 ' HB2' ' A' ' 106' ' ' ALA . 65.7 t -108.29 -53.92 6.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -174.04 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 42' ' ' LEU . 8.7 p -79.76 -31.13 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.489 -171.171 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.967 ' HA ' HG13 ' A' ' 6' ' ' ILE . 10.0 m-85 -68.75 -29.01 67.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.267 0.556 . . . . 0.0 110.21 178.026 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -70.18 -25.78 63.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.792 -174.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -89.62 107.92 19.37 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.471 -177.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.0 m -69.43 -31.0 69.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.321 -177.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.73 -44.7 85.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 0.0 110.33 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.4 t -68.65 -38.49 79.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.561 177.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.468 ' HB2' HG12 ' A' ' 6' ' ' ILE . . . -57.56 -50.73 72.14 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 177.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -34.73 78.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.239 179.05 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -59.75 -48.4 81.81 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.346 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -61.14 -55.44 32.34 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.648 177.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -61.07 -30.57 70.42 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -174.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -68.54 -46.76 68.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.747 0.308 . . . . 0.0 110.951 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -81.98 -31.46 31.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.009 -173.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.738 ' HB3' ' HB2' ' A' ' 26' ' ' LEU . 9.0 p90 -155.4 157.96 37.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.212 0.53 . . . . 0.0 111.787 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.8 m -80.72 133.69 28.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.858 -177.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -92.75 106.86 18.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.615 -178.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.584 HD23 HG22 ' A' ' 29' ' ' VAL . 45.1 tp -110.19 128.53 55.53 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.113 -178.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.635 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 26.4 ttpp -113.02 126.92 56.01 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.229 177.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 79.1 mtp -136.77 113.75 10.51 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -66.94 155.67 37.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.309 -174.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 61.3 mtt -78.77 -10.15 59.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.293 175.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -113.21 21.6 15.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.769 0.795 . . . . 0.0 109.49 175.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -93.05 158.94 15.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.699 174.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.31 -56.44 23.38 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.308 -0.473 . . . . 0.0 113.195 -176.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' OE2' ' HA ' ' A' ' 12' ' ' SER . 26.9 mt-10 -75.97 -12.42 60.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.032 0.444 . . . . 0.0 110.737 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.16 -31.14 75.77 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.618 -178.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 35.6 m -55.54 -38.53 49.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -177.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -73.31 -45.13 57.2 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.322 -178.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 46.4 mt -62.73 -41.5 99.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.172 0.511 . . . . 0.0 110.499 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.653 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 51.9 ttp180 -57.09 -47.15 81.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.249 179.044 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.455 ' HB3' ' HE2' ' A' ' 77' ' ' LYS . 31.3 ttpt -74.23 -35.15 63.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.78 -178.023 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -80.79 -48.24 12.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.345 -170.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -92.2 -9.45 42.26 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -171.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.3 84.26 1.79 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.296 -0.954 . . . . 0.0 113.318 174.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.653 ' HB ' ' HG3' ' A' ' 76' ' ' ARG . 7.5 p -64.85 141.08 18.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.203 0.525 . . . . 0.0 110.655 174.414 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -137.22 -91.7 0.24 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.853 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.454 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -174.73 22.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.701 0.762 . . . . 0.0 109.873 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.592 ' HB3' ' HD2' ' A' ' 85' ' ' PRO . 9.8 m-85 -128.94 -179.45 1.0 Allowed Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.125 -170.381 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.592 ' HD2' ' HB3' ' A' ' 84' ' ' TYR . 58.4 Cg_endo -79.33 116.06 3.55 Favored 'Trans proline' 0 N--CA 1.449 -1.136 0 C-N-CA 121.612 1.541 . . . . 0.0 110.835 165.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.4 m -95.33 105.55 17.51 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.87 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.621 HD12 HD23 ' A' ' 100' ' ' LEU . 43.6 mt -94.12 115.65 27.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.434 0.635 . . . . 0.0 109.91 -177.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.566 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 60.7 mt -111.58 123.71 50.78 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.386 -172.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -102.14 110.97 23.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.745 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.595 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 65.3 mt -113.98 138.71 42.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.782 -179.305 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -76.39 167.65 21.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.017 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.455 ' OG ' ' HA ' ' A' ' 21' ' ' GLU . 48.0 t -65.47 -26.75 68.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.72 175.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.2 m -77.96 1.79 19.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.322 179.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.96 26.55 62.07 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.423 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -113.14 144.62 42.35 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 -178.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.6 m -78.04 128.71 38.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.86 0.362 . . . . 0.0 110.232 176.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.4 p -106.75 -43.15 6.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -142.14 131.53 23.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.11 0.481 . . . . 0.0 110.465 177.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -108.21 119.93 40.89 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.464 175.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.621 HD23 HD12 ' A' ' 87' ' ' LEU . 50.3 tp -116.04 106.5 13.83 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.172 0.51 . . . . 0.0 110.642 -179.02 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.9 m -103.38 101.68 12.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.327 0.584 . . . . 0.0 109.976 174.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.89 164.41 10.11 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.121 -177.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.5 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -160.27 118.97 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.884 0.373 . . . . 0.0 110.91 -178.192 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -100.33 -175.16 2.85 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.45 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.407 ' OD2' ' HD2' ' A' ' 107' ' ' PRO . 27.5 t70 -54.8 151.98 7.78 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.012 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.59 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -44.42 -54.72 11.5 Favored Pre-proline 0 N--CA 1.476 0.827 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -169.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.59 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 40.1 Cg_exo -58.97 -36.54 96.64 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.978 1.786 . . . . 0.0 112.711 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -74.12 -38.52 63.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.801 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.792 HD22 HD11 ' A' ' 42' ' ' LEU . 50.7 tp -62.46 -53.86 48.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.032 0.444 . . . . 0.0 110.29 176.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 62.2 tp -54.62 -36.29 64.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.828 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -67.15 -41.55 85.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.495 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.6 -34.25 77.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.788 177.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 109' ' ' LEU . 98.9 t -59.89 -42.47 89.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.24 175.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -61.55 -41.42 97.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.03 -17.14 63.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.051 177.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -91.31 -43.36 4.65 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.652 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.443 ' O ' ' HB2' ' A' ' 118' ' ' GLU . 64.8 t -67.74 -33.83 64.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-O 120.295 0.093 . . . . 0.0 111.16 -178.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 117' ' ' VAL . 28.4 mm-40 70.17 108.99 0.06 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.394 0.616 . . . . 0.0 111.18 -179.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.0 m -152.49 134.47 14.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.17 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.38 108.66 17.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.319 0.581 . . . . 0.0 110.6 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.881 0 CA-C-O 118.94 -0.922 . . . . 0.0 111.346 -179.331 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.747 0.308 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -116.63 -60.59 1.83 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 48' ' ' LYS . . . 69.46 90.65 0.09 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.115 174.086 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -91.06 -22.24 20.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.178 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 101.14 -163.56 18.16 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.711 175.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.562 HG12 ' HA ' ' A' ' 53' ' ' ALA . 40.6 mt -75.07 141.74 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.12 106.82 14.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.796 0.332 . . . . 0.0 110.776 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.761 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 83.8 m-85 -91.95 133.21 35.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.24 177.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 62' ' ' ASN . 13.8 ptp180 -101.32 137.55 39.51 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.925 0.393 . . . . 0.0 110.217 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -94.12 94.47 8.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.821 -174.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.464 ' O ' HD11 ' A' ' 63' ' ' LEU . 95.0 mt -127.93 161.74 28.39 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.282 -178.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.9 m -70.29 160.72 31.7 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 175.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.424 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 74.1 t80 -58.63 -56.13 38.86 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.596 -177.23 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 18.9 Cg_endo -59.94 -34.26 95.26 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 121.974 1.783 . . . . 0.0 111.943 178.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -63.05 -48.73 77.43 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.385 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.33 -42.37 88.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.484 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.3 tp -57.6 -52.62 64.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.613 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -56.3 -48.26 77.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.784 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -59.49 -40.82 88.27 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.761 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.537 ' HB1' ' O ' ' A' ' 25' ' ' LYS . . . -69.43 -30.74 68.73 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.877 -178.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.89 -47.27 78.42 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.05 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.5 m -73.53 -26.19 21.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.576 -177.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -84.3 -15.14 47.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.574 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.5 t70 55.94 70.04 0.68 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.679 0.752 . . . . 0.0 110.139 -173.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.537 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 36.5 ttmt -155.77 153.39 29.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.701 -175.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.2 mp -88.02 159.0 18.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.914 0.387 . . . . 0.0 111.195 -176.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.602 ' HB2' ' HB ' ' A' ' 90' ' ' ILE . 3.3 mm? -94.19 122.77 37.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.173 -178.168 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -109.52 102.11 11.0 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 172.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.467 ' HB ' ' HB3' ' A' ' 88' ' ' LEU . 39.7 t -100.94 120.52 50.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.631 -176.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -105.18 128.56 53.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.996 0.427 . . . . 0.0 110.227 175.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.549 ' HB2' ' HB ' ' A' ' 86' ' ' THR . 71.1 m -124.03 111.53 16.1 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.254 175.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -107.74 157.93 17.71 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 m -99.79 163.54 12.42 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.267 -178.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.8 p -73.48 -22.32 60.19 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -174.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -65.96 160.71 22.94 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.312 178.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.9 p -91.3 173.43 7.92 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.025 -177.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.404 ' HA3' ' HD3' ' A' ' 38' ' ' PRO . . . 118.06 -109.52 1.82 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.363 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.404 ' HD3' ' HA3' ' A' ' 37' ' ' GLY . 52.3 Cg_exo -54.87 -29.1 61.83 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.387 2.725 . . . . 0.0 113.266 -178.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.4 m -61.16 -58.23 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.055 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -63.86 -31.15 72.23 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.992 0.425 . . . . 0.0 110.791 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.401 ' HD2' ' HA ' ' A' ' 41' ' ' ARG . 3.2 tpt180 -56.79 -42.32 79.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.58 178.318 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.472 HD21 ' HB1' ' A' ' 103' ' ' ALA . 94.1 mt -75.89 -43.58 44.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.506 176.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.644 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 50.5 m -51.98 -30.67 26.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.962 -178.29 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -88.99 -46.29 8.99 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.585 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 83.9 t -81.35 -54.18 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -170.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 42' ' ' LEU . 33.4 m -83.1 -21.61 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.276 -0.57 . . . . 0.0 111.536 -174.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.644 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 83.1 m-85 -91.68 32.4 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.178 0.513 . . . . 0.0 111.052 177.368 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.444 ' O ' ' HB1' ' A' ' 3' ' ' ALA . 43.0 tttm -129.83 -59.28 1.07 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.635 173.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -53.19 117.61 3.16 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.844 0.715 . . . . 0.0 111.694 -172.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.3 p -69.19 -29.57 67.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.668 -174.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.8 mt -71.0 -48.34 53.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.34 . . . . 0.0 110.466 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.47 -46.9 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.221 175.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.562 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -60.37 -39.49 87.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.37 179.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.96 -45.61 88.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.736 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -61.06 -47.13 87.8 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.152 -176.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -70.43 -48.58 55.29 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -60.11 -30.81 69.51 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.767 0.317 . . . . 0.0 111.38 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.7 ttm-85 -88.21 -53.5 4.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.266 -0.425 . . . . 0.0 112.132 -176.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -84.69 -19.62 32.52 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -169.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -129.6 161.86 29.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.079 0.466 . . . . 0.0 111.498 -175.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.8 t -95.92 110.11 23.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 170.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.514 ' HB3' ' CD1' ' A' ' 8' ' ' PHE . 34.7 m-80 -82.78 104.0 12.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.885 -173.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.464 HD11 ' O ' ' A' ' 11' ' ' LEU . 54.4 tp -100.19 126.82 46.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.523 -178.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.761 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 64.0 tttm -99.28 122.24 42.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.454 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.6 mmt -132.04 123.54 27.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.968 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.593 ' HB2' ' HB3' ' A' ' 69' ' ' LYS . 4.0 m-20 -92.32 149.27 21.53 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.532 175.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 24.7 mmt -67.36 -20.41 65.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.057 0.456 . . . . 0.0 111.201 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -115.85 14.73 16.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.615 -176.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.593 ' HB3' ' HB2' ' A' ' 66' ' ' ASP . 81.0 tttt -129.28 129.06 44.43 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 120.799 0.333 . . . . 0.0 110.628 -175.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.44 -131.39 38.16 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.374 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.459 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 1.8 mp0 -90.63 8.86 32.11 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.013 -0.094 . . . . 0.0 111.092 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.466 ' HA3' ' O ' ' A' ' 66' ' ' ASP . . . -55.16 -40.6 75.45 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 121.416 -0.421 . . . . 0.0 112.759 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.47 -36.71 77.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.772 0.32 . . . . 0.0 110.997 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -71.31 -37.73 71.78 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 92.6 mt -61.8 -39.54 92.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.886 0.374 . . . . 0.0 110.24 177.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -57.88 -44.97 87.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.547 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -76.59 -29.49 56.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.939 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -68.62 -49.71 57.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.075 -177.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.449 ' CZ ' HD21 ' A' ' 88' ' ' LEU . 85.3 m-85 -96.72 -4.19 41.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.313 -174.022 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 60.27 41.2 98.24 Favored Glycine 0 C--N 1.332 0.306 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.6 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.496 HG11 HG21 ' A' ' 86' ' ' THR . 26.9 m -78.48 139.33 18.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.803 0.335 . . . . 0.0 110.81 -177.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -127.82 9.05 6.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.679 -176.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.465 ' HB3' ' HB ' ' A' ' 101' ' ' VAL . . . -101.56 179.75 4.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.473 0.177 . . . . 0.0 110.697 -177.285 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.775 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 68.2 m-85 -90.76 -51.48 0.32 Allowed Pre-proline 0 C--O 1.237 0.402 0 CA-C-O 119.52 -0.276 . . . . 0.0 111.071 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.775 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 11.4 Cg_endo -93.24 137.55 1.38 Allowed 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 122.569 2.179 . . . . 0.0 110.978 170.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.549 ' HB ' ' HB2' ' A' ' 31' ' ' CYS . 2.2 m -133.75 114.5 13.47 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.459 -176.093 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.7 mp -103.97 111.71 24.38 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.467 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 16.4 tp -116.81 135.49 53.7 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.044 -173.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.403 ' HZ ' ' HB ' ' A' ' 113' ' ' VAL . 63.6 m-85 -109.06 109.36 20.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.386 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.602 ' HB ' ' HB2' ' A' ' 27' ' ' LEU . 48.6 mm -104.89 130.54 55.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.102 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.41 HD21 ' HG3' ' A' ' 95' ' ' GLU . 8.5 p30 -100.42 -178.42 3.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.983 -178.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.3 m -65.14 -19.65 66.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.095 -175.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.2 m -78.18 0.53 24.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.97 0.414 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 73.45 30.87 61.7 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.274 177.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.41 ' HG3' HD21 ' A' ' 91' ' ' ASN . 10.7 pt-20 -143.22 -179.29 6.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.537 0.208 . . . . 0.0 110.681 -178.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 10.2 p -108.93 151.75 11.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.252 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 45.1 t -107.22 -48.25 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 174.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -126.69 125.61 42.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.476 178.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -91.53 126.86 36.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.832 175.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.9 tt -126.47 112.11 15.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.193 0.521 . . . . 0.0 110.283 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.465 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 30.7 m -109.64 140.42 28.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.161 176.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.55 171.05 27.97 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.86 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.472 ' HB1' HD21 ' A' ' 42' ' ' LEU . . . -145.35 161.15 40.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.834 0.317 . . . . 0.0 111.07 -178.275 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.68 ' HG3' ' HD3' ' A' ' 112' ' ' LYS . 29.1 mm-40 -129.64 -174.01 3.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.866 -175.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.441 ' OD1' ' HD2' ' A' ' 107' ' ' PRO . 5.8 t70 -65.26 162.9 16.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 170.587 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.83 -57.01 17.75 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -171.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.441 ' HD2' ' OD1' ' A' ' 105' ' ' ASP . 28.6 Cg_endo -62.98 -39.53 39.88 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.995 1.796 . . . . 0.0 112.799 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -70.42 -38.48 74.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.342 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.401 HD13 ' H ' ' A' ' 104' ' ' GLU . 41.0 tp -58.74 -49.19 78.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.232 0.539 . . . . 0.0 109.767 178.181 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 40.9 tp -58.86 -35.38 72.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.93 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -65.06 -52.28 56.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.337 177.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.68 ' HD3' ' HG3' ' A' ' 104' ' ' GLU . 49.1 mtpt -63.81 -38.0 89.47 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -172.406 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.403 ' HB ' ' HZ ' ' A' ' 89' ' ' PHE . 27.2 m -69.47 -44.63 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.301 0 CA-C-O 120.407 0.146 . . . . 0.0 111.235 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -67.42 -35.22 78.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.071 0.462 . . . . 0.0 111.25 178.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 50.5 tp -66.78 -39.16 87.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.41 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -66.36 -36.04 91.06 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.889 -178.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 34.3 m -92.92 -0.74 10.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -176.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 57.35 87.02 0.07 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.455 0.472 . . . . 0.0 111.381 -178.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.1 m -80.92 -63.77 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.92 -178.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -158.89 -45.97 0.06 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.77 0.319 . . . . 0.0 110.911 -177.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.392 -1.227 . . . . 0.0 111.486 -179.155 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.975 0 CA-C-O 120.736 0.303 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -94.41 139.66 30.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.752 0.31 . . . . 0.0 110.418 177.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -138.41 86.93 2.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.874 178.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -105.78 100.67 10.22 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -174.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 93.23 -145.65 17.72 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.987 176.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.537 HG12 ' HA ' ' A' ' 53' ' ' ALA . 62.8 mt -91.12 135.74 26.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.74 0.305 . . . . 0.0 110.516 -177.152 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.65 108.46 20.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.025 0.44 . . . . 0.0 111.148 -178.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -93.15 152.84 19.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.098 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -117.76 152.61 34.95 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.178 177.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -98.61 94.68 6.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.662 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.498 ' O ' HD11 ' A' ' 63' ' ' LEU . 92.8 mt -139.94 164.41 30.09 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 p -89.47 174.44 7.79 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 172.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.508 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 69.7 t80 -59.75 -52.52 73.24 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.249 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 15.7 Cg_endo -57.5 -35.69 98.81 Favored 'Trans proline' 0 C--N 1.359 1.119 0 C-N-CA 122.377 2.051 . . . . 0.0 112.417 176.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.19 -42.5 88.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.96 0.409 . . . . 0.0 111.089 178.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.455 ' HB2' HD22 ' A' ' 63' ' ' LEU . . . -70.92 -35.25 72.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.612 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.5 tp -67.26 -36.56 81.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.377 0.608 . . . . 0.0 109.878 177.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.611 ' HE2' ' HA ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -55.95 -52.31 64.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.743 172.436 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -58.59 -36.38 73.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.861 176.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.448 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -60.37 -35.74 76.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.653 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -69.18 -37.27 78.09 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.483 177.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.2 t -73.72 -56.5 9.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.519 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -77.34 -30.25 53.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.59 -175.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.9 t70 60.38 37.6 19.96 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 122.339 1.066 . . . . 0.0 109.038 -175.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . 35.8 ttmt -112.37 151.8 29.36 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.429 -1.259 . . . . 0.0 109.322 -176.297 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 98.5 mt -66.88 145.71 55.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.899 0.381 . . . . 0.0 110.879 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.469 ' HB2' HG22 ' A' ' 90' ' ' ILE . 3.1 mm? -96.4 130.44 43.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.818 -176.156 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -113.4 103.05 10.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.277 175.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.637 ' HB ' ' HB3' ' A' ' 88' ' ' LEU . 37.3 t -103.11 111.94 34.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.051 0.453 . . . . 0.0 110.858 -177.257 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -84.08 116.5 22.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.012 176.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 82.2 m -114.06 113.3 24.56 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 177.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -111.37 149.3 31.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.33 -173.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.403 ' C ' ' H ' ' A' ' 35' ' ' TRP . 30.4 m -100.88 152.54 20.41 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 169.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.8 p -73.07 15.0 0.23 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.482 ' HD1' ' HD2' ' A' ' 38' ' ' PRO . 62.4 t-105 -75.92 129.56 37.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.455 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 54.1 t -89.92 115.63 27.38 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.228 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 160.55 -98.11 0.16 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.357 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.482 ' HD2' ' HD1' ' A' ' 35' ' ' TRP . 78.3 Cg_exo -50.7 -30.49 29.16 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.735 2.957 . . . . 0.0 113.277 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.1 p -57.95 -41.28 82.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.359 . . . . 0.0 111.232 178.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -72.42 -37.96 68.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.119 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -59.78 -40.31 87.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.339 178.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.633 HD13 ' HB1' ' A' ' 103' ' ' ALA . 43.5 tp -70.41 -55.75 8.3 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.533 177.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.558 ' HA ' ' CD2' ' A' ' 47' ' ' PHE . 13.9 t -59.25 -30.99 68.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.865 -173.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -65.01 -33.98 77.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -176.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.598 HG23 HG13 ' A' ' 46' ' ' VAL . 4.8 m -108.75 -52.75 6.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -175.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.645 HG12 ' HA ' ' A' ' 106' ' ' ALA . 15.7 m -74.61 -26.2 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -169.148 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.558 ' CD2' ' HA ' ' A' ' 43' ' ' SER . 22.6 m-85 -101.66 18.06 21.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.091 0.472 . . . . 0.0 109.975 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -123.49 -34.63 3.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.279 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.42 ' OD2' ' HB2' ' A' ' 51' ' ' LEU . 32.1 t70 -72.99 121.65 20.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.038 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.8 m -69.74 -25.69 63.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.994 -175.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.42 ' HB2' ' OD2' ' A' ' 49' ' ' ASP . 79.8 mt -70.3 -51.13 32.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.964 0.412 . . . . 0.0 110.412 -178.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 84.2 t -63.02 -42.18 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.119 176.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.537 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -58.31 -51.43 69.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.625 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -57.61 -42.44 83.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.159 -178.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -59.46 -48.68 80.7 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.225 -178.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 60' ' ' PHE . 50.6 m-85 -74.6 -41.67 60.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.824 -177.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -57.95 -30.79 66.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.884 0.373 . . . . 0.0 111.34 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.0 ttm105 -88.52 -51.95 5.43 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -89.53 -11.08 43.85 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -168.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.414 ' HD2' ' HA ' ' A' ' 56' ' ' PHE . 98.3 m-85 -130.81 146.69 52.32 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.402 -176.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.2 t -87.41 109.79 19.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 169.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -84.07 110.16 18.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.372 0.606 . . . . 0.0 111.259 -172.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.498 HD11 ' O ' ' A' ' 11' ' ' LEU . 58.5 tp -118.56 143.09 47.01 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.855 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -117.21 132.45 56.63 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.343 175.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.9 tpt -129.97 135.82 48.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.819 0.342 . . . . 0.0 111.287 -175.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -69.18 159.85 32.21 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.947 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 43.3 tpp -98.69 -18.47 18.02 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.229 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -114.73 -51.12 2.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.451 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -73.84 131.53 41.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.969 -175.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.31 -147.99 21.88 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.592 -178.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -89.39 18.6 5.1 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 122.572 -0.369 . . . . 0.0 110.926 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -57.64 -36.96 80.96 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 121.149 -0.548 . . . . 0.0 112.28 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 32.3 m -65.15 -25.57 37.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.011 0.434 . . . . 0.0 111.147 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -75.29 -48.36 23.61 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.92 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.4 mp -60.1 -39.1 84.98 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.729 176.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.84 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 55.8 ttp180 -58.77 -43.43 90.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.02 0.438 . . . . 0.0 110.773 178.416 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.1 ttmp? -74.64 -30.21 61.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.13 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -74.84 -44.5 48.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.558 -175.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -95.68 -0.19 51.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.374 -175.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.7 58.67 8.06 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.343 178.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.84 ' HB ' ' HG3' ' A' ' 76' ' ' ARG . 84.7 t -92.64 113.43 27.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.036 0.446 . . . . 0.0 111.217 -176.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -120.17 -22.13 6.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.673 174.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.89 177.25 8.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.562 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.706 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 22.8 m-85 -92.49 -53.18 0.27 Allowed Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -172.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.706 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 32.8 Cg_endo -93.69 105.6 0.15 Allowed 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 122.179 1.919 . . . . 0.0 111.823 176.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.8 m -118.79 121.7 40.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.95 0.405 . . . . 0.0 110.874 -177.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 87' ' ' LEU . 6.5 mp -103.84 119.9 39.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.908 -177.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.637 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 1.3 tt -105.52 121.93 44.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.353 -177.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -111.39 118.82 36.88 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 175.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.469 HG22 ' HB2' ' A' ' 27' ' ' LEU . 13.5 tt -135.83 154.33 34.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.449 -178.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -105.34 177.89 4.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.772 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.4 t -62.25 -28.72 69.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.437 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.0 t -68.98 -22.51 64.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.058 0.456 . . . . 0.0 110.527 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 87.35 23.39 40.48 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.627 -0.797 . . . . 0.0 111.786 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -109.71 149.22 30.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.921 0.391 . . . . 0.0 110.124 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.542 HG11 ' HG3' ' A' ' 99' ' ' ARG . 21.5 t -96.4 107.7 20.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.573 -177.278 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.4 t -71.62 -50.17 41.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 177.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -151.9 136.42 16.91 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.283 0.563 . . . . 0.0 110.952 178.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.542 ' HG3' HG11 ' A' ' 96' ' ' VAL . 13.5 mtm180 -96.98 155.07 16.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.701 174.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 42.8 tp -135.46 107.23 7.01 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.02 0.438 . . . . 0.0 110.445 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.0 m -105.49 101.64 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.705 0.764 . . . . 0.0 110.705 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 117.85 151.49 9.24 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.233 -176.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.633 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -140.67 129.04 22.5 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 122.556 -0.379 . . . . 0.0 110.908 -174.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -102.47 -175.12 2.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.38 -176.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.05 164.96 3.61 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.978 178.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.645 ' HA ' HG12 ' A' ' 46' ' ' VAL . . . -48.22 -56.45 14.04 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -173.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -61.9 -42.32 31.71 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.863 1.709 . . . . 0.0 112.551 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -65.49 -43.07 91.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 -178.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.4 tp -64.86 -47.1 79.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.362 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 48.0 tp -53.98 -49.85 67.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.054 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -70.56 -35.75 73.25 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.046 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 112' ' ' LYS . 51.4 tptt -57.57 -42.78 83.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.026 0.441 . . . . 0.0 110.833 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 117' ' ' VAL . 87.9 t -69.67 -47.31 71.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -63.59 -45.37 90.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.273 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 34.5 tp -71.48 -22.6 61.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.17 0.51 . . . . 0.0 110.498 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.6 -19.2 79.95 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.097 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 113' ' ' VAL . 23.1 t -97.8 -51.04 10.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.933 0.397 . . . . 0.0 110.559 178.131 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -90.26 108.69 19.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -177.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.3 t -74.71 -31.29 61.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.845 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -109.37 146.06 35.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.892 0.377 . . . . 0.0 111.054 -175.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.252 0 CA-C-O 117.92 -1.489 . . . . 0.0 111.311 -178.988 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 120.617 0.246 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -112.0 150.3 30.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.781 0.324 . . . . 0.0 110.646 -179.121 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.79 124.16 33.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.654 176.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -165.07 -45.69 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.168 0.508 . . . . 0.0 110.447 -178.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.435 ' HA3' ' HA ' ' A' ' 47' ' ' PHE . . . -88.8 -133.8 4.76 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.003 176.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.534 ' CD1' ' HA ' ' A' ' 53' ' ' ALA . 28.2 mm -59.75 131.41 24.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 177.32 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -103.43 88.95 3.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.124 176.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.764 ' HB3' ' HB3' ' A' ' 64' ' ' LYS . 53.7 m-85 -74.07 118.31 16.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.299 178.204 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -97.66 155.61 16.92 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.453 -177.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.39 114.27 17.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.828 0.823 . . . . 0.0 111.667 -179.438 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.485 ' HG ' ' HB2' ' A' ' 16' ' ' ALA . 1.4 pt? -137.47 165.85 25.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.24 -0.891 . . . . 0.0 108.899 176.024 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.4 m -57.54 138.7 54.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.31 0.381 . . . . 0.0 110.765 -177.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.634 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 68.7 t80 -50.26 -52.32 55.17 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.123 -177.002 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.634 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 71.2 Cg_exo -49.98 -43.32 42.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 C-N-CA 122.261 1.974 . . . . 0.0 112.789 174.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -68.34 -43.94 76.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.326 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.485 ' HB2' ' HG ' ' A' ' 11' ' ' LEU . . . -67.02 -41.92 85.79 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.034 -176.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.461 HD11 ' HA2' ' A' ' 94' ' ' GLY . 19.8 tp -62.08 -43.45 98.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.305 0.574 . . . . 0.0 110.069 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -62.95 -43.55 98.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.626 176.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.43 ' HA ' HG22 ' A' ' 22' ' ' VAL . 20.0 tpp180 -61.02 -39.41 89.67 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.894 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.433 ' HB2' ' HG ' ' A' ' 27' ' ' LEU . . . -62.81 -40.51 97.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.022 0.439 . . . . 0.0 110.527 176.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -67.16 -45.49 76.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.198 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.43 HG22 ' HA ' ' A' ' 19' ' ' ARG . 35.4 m -72.41 -25.71 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.857 0.361 . . . . 0.0 111.174 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -84.42 -13.71 51.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 110.392 177.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 65.0 29.35 12.26 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.908 -178.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -126.96 176.31 7.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.956 0.408 . . . . 0.0 110.404 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.469 ' HG ' ' HA ' ' A' ' 91' ' ' ASN . 7.3 mp -101.39 157.53 16.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.285 179.12 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.508 HD23 ' HB ' ' A' ' 61' ' ' VAL . 72.9 mt -89.03 115.18 26.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.43 178.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.405 ' CZ ' HD12 ' A' ' 87' ' ' LEU . 79.3 t80 -90.81 101.27 14.02 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 172.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.865 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 48.6 t -93.87 113.59 28.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.249 -172.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -79.78 100.98 8.21 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.429 174.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.6 t -103.07 113.29 26.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.455 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -140.1 152.87 46.49 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.19 -177.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.85 155.23 17.49 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.322 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.0 m -71.26 -4.75 27.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.063 0.458 . . . . 0.0 111.637 -174.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -74.96 131.36 40.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.908 176.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.4 t -81.05 114.44 19.92 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.42 ' HA3' ' HD2' ' A' ' 38' ' ' PRO . . . -152.55 -131.77 1.71 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.074 -179.342 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.42 ' HD2' ' HA3' ' A' ' 37' ' ' GLY . 10.1 Cg_endo -54.82 -24.42 38.32 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.353 2.702 . . . . 0.0 112.905 -179.244 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.4 p -60.12 -30.36 69.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.59 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -62.89 -28.99 70.42 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.833 0.349 . . . . 0.0 110.503 -178.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -73.89 -43.2 59.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.912 177.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.611 ' O ' HG12 ' A' ' 46' ' ' VAL . 58.5 tp -62.56 -48.45 79.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.449 178.17 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.493 ' HA ' ' CD2' ' A' ' 47' ' ' PHE . 22.3 m -57.65 -29.21 64.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.247 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -75.23 -29.03 60.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.727 -177.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.3 m -100.27 -49.19 11.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -175.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 42' ' ' LEU . 14.1 p -74.04 -26.74 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.945 0.402 . . . . 0.0 111.791 -171.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.493 ' CD2' ' HA ' ' A' ' 43' ' ' SER . 48.0 m-85 -91.47 15.63 11.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.521 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -125.25 -41.86 2.03 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.635 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.418 ' OD2' HG23 ' A' ' 52' ' ' VAL . 26.3 t70 -73.96 118.04 16.45 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.019 0.438 . . . . 0.0 111.02 -177.419 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.5 m -69.52 -26.28 64.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.91 -175.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.9 tp -69.85 -49.18 55.03 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.606 HG22 HD11 ' A' ' 110' ' ' LEU . 97.5 t -62.06 -39.65 84.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.143 176.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.534 ' HA ' ' CD1' ' A' ' 6' ' ' ILE . . . -56.72 -45.71 81.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.154 178.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -72.41 -41.2 66.5 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.952 0.406 . . . . 0.0 110.798 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -56.53 -52.45 64.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.339 -176.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -75.16 -30.63 60.79 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -178.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -72.14 -40.7 67.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.67 0.271 . . . . 0.0 111.6 -177.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -81.27 -37.34 28.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.599 -174.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -81.25 -36.61 29.72 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -175.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.408 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 82.3 m-85 -129.35 163.29 26.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.957 0.408 . . . . 0.0 111.098 -175.605 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.508 ' HB ' HD23 ' A' ' 27' ' ' LEU . 46.1 t -85.75 122.01 37.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 174.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -81.12 100.48 9.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.207 0.527 . . . . 0.0 110.578 -176.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.489 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 47.9 tp -119.21 125.74 49.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.201 -178.052 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.764 ' HB3' ' HB3' ' A' ' 8' ' ' PHE . 13.6 ptmm? -103.73 141.9 35.28 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 176.463 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 18.7 mmt -137.2 129.29 29.32 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.737 0.303 . . . . 0.0 110.426 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.575 ' O ' ' HA3' ' A' ' 72' ' ' GLY . 2.2 t70 -73.51 157.68 36.31 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 176.394 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 87.0 mtp -94.55 -12.32 27.78 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.058 -178.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -115.59 -42.68 3.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.791 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -83.33 129.38 34.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -177.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.86 -149.01 21.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.47 176.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 1.1 pm0 -84.48 3.08 37.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.796 0.331 . . . . 0.0 110.502 178.096 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.575 ' HA3' ' O ' ' A' ' 66' ' ' ASP . . . -57.84 -31.7 64.87 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.477 178.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.453 HG23 ' NH2' ' A' ' 76' ' ' ARG . 6.7 p -60.61 -33.66 55.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 177.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -67.52 -49.63 62.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.115 -179.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.03 -35.4 80.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.642 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.453 ' NH2' HG23 ' A' ' 73' ' ' VAL . 61.4 ttp180 -55.38 -47.6 75.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.423 178.071 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.419 ' HB3' ' HE3' ' A' ' 77' ' ' LYS . 22.6 ttpp -76.38 -35.16 58.8 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.105 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -66.48 -41.32 89.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.612 -173.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -87.18 -9.06 56.18 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.047 -177.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 62.66 64.39 3.88 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.927 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.416 HG21 ' HG3' ' A' ' 76' ' ' ARG . 32.3 m -72.78 138.75 20.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.214 0.53 . . . . 0.0 112.059 -175.306 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -133.47 18.59 3.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.425 0.631 . . . . 0.0 109.62 171.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.74 167.75 19.57 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.75 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.699 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 77.7 m-85 -92.36 -51.44 0.28 Allowed Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.307 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.699 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 7.4 Cg_endo -88.48 125.64 1.79 Allowed 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 122.197 1.931 . . . . 0.0 111.547 174.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 64.1 m -139.55 127.79 22.59 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.762 0.315 . . . . 0.0 110.568 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.569 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 3.0 mm? -97.3 117.01 30.57 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.865 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 94.7 mt -106.44 133.43 51.13 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.782 -177.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -116.02 106.24 13.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.833 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 65.1 mt -112.44 121.85 65.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.469 ' HA ' ' HG ' ' A' ' 26' ' ' LEU . 22.4 p-10 -84.21 177.08 8.34 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.509 -176.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.1 m -63.05 -22.26 66.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.26 -176.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.8 m -80.73 -0.21 37.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.197 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.461 ' HA2' HD11 ' A' ' 17' ' ' LEU . . . 72.95 34.3 59.0 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.02 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -124.27 150.87 44.88 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.973 0.415 . . . . 0.0 110.76 -177.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.5 t -78.99 93.55 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.543 176.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 9.2 p -72.05 -34.05 49.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.437 -178.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -154.26 147.23 24.51 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.595 177.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -126.38 128.59 47.28 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 177.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.569 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 47.0 tp -120.11 111.62 18.09 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.41 -178.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 60.8 t -93.81 120.01 42.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.257 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.73 159.59 32.75 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.585 -0.816 . . . . 0.0 111.348 -177.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.426 ' HB1' HD22 ' A' ' 42' ' ' LEU . . . -131.24 138.92 49.54 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.109 0.481 . . . . 0.0 110.658 -178.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -112.55 -175.22 2.62 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.715 -174.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.411 ' HB2' ' HB2' ' A' ' 108' ' ' GLU . 18.5 m-20 -59.86 155.22 16.79 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 173.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.589 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -48.39 -54.04 29.4 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.589 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 24.3 Cg_exo -64.13 -38.0 38.9 Favored 'Trans proline' 0 C--N 1.359 1.098 0 C-N-CA 121.783 1.655 . . . . 0.0 112.219 177.329 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.411 ' HB2' ' HB2' ' A' ' 105' ' ' ASP . 1.7 tm-20 -65.83 -33.7 76.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.583 -179.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.4 ' O ' HG23 ' A' ' 113' ' ' VAL . 18.9 tp -69.06 -44.03 73.42 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.12 177.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.606 HD11 HG22 ' A' ' 52' ' ' VAL . 94.7 mt -54.88 -47.59 74.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.548 -179.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -65.71 -41.42 92.35 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.128 -0.229 . . . . 0.0 111.379 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -57.17 -46.06 83.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.184 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.403 ' O ' HG22 ' A' ' 117' ' ' VAL . 96.2 t -67.13 -48.9 77.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.701 0.286 . . . . 0.0 110.9 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -58.84 -45.88 88.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.425 -176.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 40.1 tp -77.22 -29.77 54.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.985 0.421 . . . . 0.0 111.049 -178.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -68.22 -42.87 82.27 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.149 -0.548 . . . . 0.0 113.348 -175.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 113' ' ' VAL . 35.3 m -89.39 -3.08 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -176.557 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -126.68 98.41 5.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.916 0.389 . . . . 0.0 110.943 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.2 t -102.51 143.73 31.84 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 172.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -80.37 95.14 6.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.244 0.545 . . . . 0.0 109.938 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.966 0 CA-C-O 118.474 -1.181 . . . . 0.0 111.208 -176.848 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.628 0.251 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -98.4 105.63 17.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.059 0.457 . . . . 0.0 110.124 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.34 144.5 42.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.068 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -110.93 -49.89 2.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.922 0.391 . . . . 0.0 110.728 -177.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.1 -126.21 2.54 Favored Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.875 -173.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.468 HG12 ' HA ' ' A' ' 53' ' ' ALA . 25.6 mt -59.95 138.69 20.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 114.951 -0.625 . . . . 0.0 111.165 -178.169 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -102.68 102.58 12.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.074 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.918 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 80.6 m-85 -90.58 131.33 36.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.107 178.075 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.459 ' HG3' HD13 ' A' ' 11' ' ' LEU . 15.2 ptp180 -108.66 142.18 39.53 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.711 -177.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -93.41 94.16 8.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.786 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.459 HD13 ' HG3' ' A' ' 9' ' ' ARG . 9.9 mp -122.44 167.36 13.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.545 175.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.2 m -73.83 161.9 29.69 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.499 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 38.3 t80 -62.38 -50.69 78.07 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-O 119.481 -0.295 . . . . 0.0 111.133 -178.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 10.1 Cg_endo -55.31 -42.32 69.59 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 122.036 1.824 . . . . 0.0 112.214 174.295 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -57.78 -53.99 51.93 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.129 0.49 . . . . 0.0 110.856 177.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.39 -33.2 75.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.109 -177.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.9 tp -64.25 -46.63 82.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.225 0.536 . . . . 0.0 109.835 177.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -61.22 -41.42 96.83 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.901 176.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.7 mmm-85 -60.35 -47.91 84.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.816 175.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.07 -37.35 76.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.98 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -63.14 -47.59 82.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.879 177.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.9 t -70.74 -48.88 55.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.612 -177.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -63.94 -24.99 67.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.988 0.423 . . . . 0.0 109.946 177.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.5 t0 58.98 64.18 1.46 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.555 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -159.77 174.81 13.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.664 -178.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.7 mp -73.6 141.74 46.59 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.226 0.536 . . . . 0.0 111.196 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.535 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 59.5 tp -90.34 122.26 33.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.551 178.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -102.28 111.38 23.65 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.891 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 46.0 t -101.59 117.73 47.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.321 0.582 . . . . 0.0 111.227 -176.397 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.52 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 11.7 t70 -81.3 112.8 18.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.029 175.318 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.8 m -122.16 122.63 39.63 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.166 175.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -143.75 155.45 44.19 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.006 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -100.8 152.79 20.08 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 171.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.4 t -66.24 -2.94 4.84 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -176.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -71.83 117.78 13.85 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 175.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.8 p -90.92 88.51 7.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.254 0.55 . . . . 0.0 111.874 -172.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.38 -106.71 1.03 Allowed Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -53.76 -32.47 66.13 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.911 2.407 . . . . 0.0 112.57 175.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.0 t -64.61 -33.54 76.18 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 110.593 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -74.42 -35.43 63.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.945 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 32.3 mtp-105 -62.55 -42.27 99.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.206 0.527 . . . . 0.0 109.985 177.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.582 HD12 HG21 ' A' ' 46' ' ' VAL . 42.1 tp -61.6 -49.52 76.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.408 177.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.61 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 47.9 m -64.42 -29.88 70.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.676 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -66.07 -58.99 4.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.117 -177.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.441 HG23 HG23 ' A' ' 46' ' ' VAL . 14.5 m -95.18 -45.56 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -171.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.582 HG21 HD12 ' A' ' 42' ' ' LEU . 62.1 t -71.01 -39.94 75.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.827 0.346 . . . . 0.0 111.545 -172.218 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.61 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 59.7 m-85 -81.68 48.55 1.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.088 0.471 . . . . 0.0 111.521 -177.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -147.49 -38.83 0.19 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.289 177.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.543 ' HB3' HG12 ' A' ' 52' ' ' VAL . 29.1 t70 -64.22 130.04 42.31 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -178.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.7 m -67.93 -39.9 83.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.607 -175.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.0 mt -70.24 -48.36 57.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.642 -173.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.564 HG23 HD21 ' A' ' 110' ' ' LEU . 6.1 p -66.45 -39.3 83.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.36 0.6 . . . . 0.0 110.23 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.468 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -62.79 -50.04 72.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.795 177.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -57.51 -44.12 84.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.781 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -54.67 -57.67 10.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.285 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.417 ' HA ' ' HD2' ' A' ' 60' ' ' PHE . 61.8 m-85 -71.52 -37.25 71.22 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -177.086 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.413 ' HA ' ' OD1' ' A' ' 62' ' ' ASN . 65.4 t30 -69.43 -35.95 76.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.58 0.229 . . . . 0.0 111.417 -175.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -88.25 -48.44 7.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.794 0.33 . . . . 0.0 111.559 -178.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -73.68 -25.84 60.44 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -171.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.417 ' HD2' ' HA ' ' A' ' 56' ' ' PHE . 81.4 m-85 -123.74 154.98 38.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.628 0.252 . . . . 0.0 110.599 -177.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.4 t -89.61 114.1 27.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 170.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.488 ' HB3' ' CD1' ' A' ' 8' ' ' PHE . 18.0 m120 -90.47 109.19 20.32 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.5 0.667 . . . . 0.0 111.785 -171.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.3 tp -104.25 139.85 38.68 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.548 178.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.918 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 57.5 tttp -121.88 133.11 54.86 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.6 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 51.7 mtt -146.53 157.82 43.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.729 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.631 ' HB3' ' H ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -96.41 160.22 14.53 Favored 'General case' 0 CA--C 1.492 -1.264 0 CA-C-O 121.261 0.553 . . . . 0.0 109.815 172.92 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 12.4 ptp -103.85 -1.04 28.39 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.88 169.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -113.3 -24.75 9.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.118 0.485 . . . . 0.0 110.362 -177.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.631 ' H ' ' HB3' ' A' ' 66' ' ' ASP . 34.1 mmtp -101.22 146.69 27.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.06 178.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 62.88 -135.42 43.75 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.782 -0.645 . . . . 0.0 113.393 174.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -83.19 10.93 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.055 0.455 . . . . 0.0 110.769 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -58.84 -31.67 68.47 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.632 -0.713 . . . . 0.0 113.125 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.4 m -62.31 -35.7 70.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 116.953 0.377 . . . . 0.0 111.684 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -73.92 -40.6 63.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.839 0.352 . . . . 0.0 110.527 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.476 ' O ' ' HD1' ' A' ' 79' ' ' TYR . 94.8 mt -66.19 -31.25 71.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.111 176.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.873 ' HG3' HG21 ' A' ' 81' ' ' VAL . 19.0 ttm180 -58.16 -55.72 31.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.859 177.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -72.31 -22.37 61.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 110.702 -178.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -64.43 -39.97 94.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.825 178.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.476 ' HD1' ' O ' ' A' ' 75' ' ' LEU . 78.0 m-85 -105.45 -14.63 15.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.436 -176.396 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 113.34 -49.1 0.87 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.506 -0.854 . . . . 0.0 114.032 169.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.873 HG21 ' HG3' ' A' ' 76' ' ' ARG . 48.0 t 53.58 103.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 122.03 0.919 . . . . 0.0 112.797 -170.284 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -121.46 -40.89 2.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.167 171.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.54 -167.45 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.17 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.756 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 71.3 m-85 -98.93 -52.4 0.2 Allowed Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.837 -0.165 . . . . 0.0 111.171 176.22 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.756 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 12.1 Cg_endo -93.01 142.49 2.07 Favored 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 122.329 2.02 . . . . 0.0 112.122 175.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.3 m -147.19 124.8 11.76 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.981 0.419 . . . . 0.0 110.893 178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 2.4 mm? -101.73 119.52 38.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.472 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.891 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 88.9 mt -106.96 130.99 54.53 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.112 0.482 . . . . 0.0 111.546 -175.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -108.91 110.93 22.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.587 175.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.535 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 39.6 mm -112.52 138.29 42.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.761 -176.202 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -74.83 161.9 29.15 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 174.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.9 p -69.36 -17.0 63.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.101 0.477 . . . . 0.0 110.701 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.4 m -79.45 -9.28 59.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.354 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 85.21 53.93 2.99 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.396 -178.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.85 154.52 38.53 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -179.054 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 33.5 m -85.93 137.09 21.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.185 0.516 . . . . 0.0 111.39 -174.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.8 t -89.52 -58.57 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.349 175.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -155.56 141.27 18.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.541 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 99' ' ' ARG . 46.1 ttp180 -103.15 113.72 27.43 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.493 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 51.0 tp -99.86 107.51 19.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.923 0.392 . . . . 0.0 110.269 -179.176 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 30.8 m -98.25 144.46 11.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.523 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 88.85 145.93 12.18 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.813 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 42' ' ' LEU . . . -116.93 115.09 24.8 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.932 0.396 . . . . 0.0 110.373 -178.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -99.22 175.32 5.93 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.726 -178.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -73.76 173.94 9.12 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 175.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.569 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -52.34 -55.16 34.26 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -171.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.569 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 22.8 Cg_exo -63.53 -42.62 20.48 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 121.774 1.649 . . . . 0.0 112.478 -178.241 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 49.0 tp10 -69.48 -39.62 77.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.693 -177.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 41.6 tp -59.71 -47.31 86.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.075 0.464 . . . . 0.0 110.073 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.564 HD21 HG23 ' A' ' 52' ' ' VAL . 84.8 mt -58.04 -35.02 70.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.124 -0.943 . . . . 0.0 111.047 177.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -66.77 -47.16 73.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.146 0.498 . . . . 0.0 110.116 176.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 108' ' ' GLU . 14.4 mmmm -63.42 -36.98 85.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.767 -176.343 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.0 p -73.53 -39.92 54.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.082 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -65.33 -55.24 19.34 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.552 0.215 . . . . 0.0 110.999 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.5 -9.23 56.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.475 -176.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -80.74 -28.18 47.8 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.265 178.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 40.5 t -115.07 -52.87 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.698 0.285 . . . . 0.0 110.676 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 66.8 116.5 0.03 OUTLIER 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.568 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.6 m 64.18 84.74 0.15 Allowed 'General case' 0 C--O 1.236 0.387 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.408 175.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -81.78 -13.36 57.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.565 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.781 0 CA-C-O 118.923 -0.932 . . . . 0.0 111.256 -178.653 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 120.814 0.34 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -147.92 159.25 44.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.339 0.59 . . . . 0.0 111.723 -177.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -138.04 23.54 2.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.15 174.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -86.82 108.32 18.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.946 -1.024 . . . . 0.0 111.291 -175.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 67.22 -170.37 34.37 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.85 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.573 ' HB ' ' CD2' ' A' ' 47' ' ' PHE . 73.6 mt -95.81 114.42 32.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.026 0.441 . . . . 0.0 109.945 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.82 121.56 32.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.084 -176.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.564 ' HE2' ' HE2' ' A' ' 47' ' ' PHE . 57.6 m-85 -94.9 147.77 23.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.275 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 20.4 mtt180 -113.27 144.79 42.13 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.299 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -126.36 93.5 3.82 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.88 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.3 mt -114.67 168.04 10.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.428 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 m -58.03 154.22 13.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.809 0.338 . . . . 0.0 110.677 175.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.435 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 74.6 t80 -53.73 -54.76 42.76 Favored Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -176.292 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 28.9 Cg_endo -62.52 -32.95 79.9 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 121.952 1.768 . . . . 0.0 112.144 178.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -62.89 -49.54 74.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.707 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.03 -42.53 98.64 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.254 -176.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.4 mt -64.33 -46.52 83.14 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.895 0.379 . . . . 0.0 111.03 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -61.64 -46.49 89.57 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.738 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -64.07 -40.14 95.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.089 178.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.466 ' HA ' ' HB2' ' A' ' 24' ' ' ASP . . . -57.16 -48.48 78.62 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.734 177.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.83 -38.52 85.74 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.51 -177.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.8 t -84.66 -57.35 4.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -173.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -109.55 0.35 19.14 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -169.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.466 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 30.7 m-20 -136.23 -149.29 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 177.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -129.04 -78.99 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.513 HD22 ' HA ' ' A' ' 91' ' ' ASN . 92.4 mt -112.06 159.45 18.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.911 0.386 . . . . 0.0 110.946 -177.138 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.526 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 58.3 tp -95.75 129.89 42.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.279 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -116.67 107.94 15.31 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.655 HG22 HD23 ' A' ' 63' ' ' LEU . 48.5 t -99.3 120.83 49.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 120.937 0.399 . . . . 0.0 110.674 -178.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -90.69 105.04 17.55 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.654 176.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 94.5 m -109.79 113.08 25.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.307 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -126.55 160.91 29.28 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.458 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 m -100.79 164.12 12.0 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 177.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.0 t -64.83 -13.35 55.67 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -176.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -63.24 145.16 56.11 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.751 0.31 . . . . 0.0 110.313 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 56.4 m -92.77 172.37 8.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.846 -176.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.19 -112.25 1.77 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.446 -0.883 . . . . 0.0 113.608 176.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.507 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 10.0 Cg_endo -51.39 -42.56 54.33 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.725 2.95 . . . . 0.0 113.96 -171.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 70.0 m -62.73 -29.87 71.0 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -174.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.431 ' HA ' ' HD2' ' A' ' 40' ' ' LYS . 21.0 tptm -79.42 -35.45 40.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 110.322 178.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.8 mtm105 -63.43 -36.62 84.36 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.27 177.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 38' ' ' PRO . 95.4 mt -55.83 -45.75 78.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.417 176.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.568 ' HA ' ' HB2' ' A' ' 47' ' ' PHE . 16.4 m -58.23 -29.67 65.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.591 -178.475 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -86.29 -23.77 26.19 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -177.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.42 HG11 ' HB2' ' A' ' 105' ' ' ASP . 45.9 t -109.02 -56.44 4.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -175.197 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.564 ' HA ' ' HB2' ' A' ' 106' ' ' ALA . 11.9 p -84.78 -33.97 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.389 -175.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.573 ' CD2' ' HB ' ' A' ' 6' ' ' ILE . 58.5 m-85 -80.88 15.91 1.63 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.896 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -106.32 -34.53 7.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.802 0.334 . . . . 0.0 111.412 -176.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.435 ' OD2' ' HB3' ' A' ' 51' ' ' LEU . 36.1 t70 -76.16 124.62 27.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.883 0.373 . . . . 0.0 111.284 -175.579 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.7 m -67.79 -30.65 70.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.64 -176.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.435 ' HB3' ' OD2' ' A' ' 49' ' ' ASP . 41.4 tp -69.43 -51.99 31.05 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 83.3 t -61.63 -42.27 93.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.418 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.567 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -55.65 -43.48 76.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.098 178.099 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -72.32 -43.31 64.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -55.02 -48.73 73.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.31 -176.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -78.26 -30.76 48.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.457 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.48 ' HB2' ' O ' ' A' ' 53' ' ' ALA . 21.0 t-20 -61.01 -45.77 93.46 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.01 0.433 . . . . 0.0 111.079 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 58' ' ' ARG . 14.9 mmm180 -90.49 -35.04 15.33 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -175.268 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -87.92 -18.53 28.95 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -172.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -133.65 157.14 46.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.974 0.416 . . . . 0.0 110.75 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 65.9 t -90.41 110.12 21.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 171.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.519 ' HB3' ' CD1' ' A' ' 8' ' ' PHE . 93.2 m-20 -79.98 103.77 10.1 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.998 -179.209 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.655 HD23 HG22 ' A' ' 29' ' ' VAL . 48.9 tp -108.11 125.08 51.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.251 -0.432 . . . . 0.0 109.902 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -107.3 124.59 50.0 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 82.9 mtp -136.15 138.19 41.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.81 0.338 . . . . 0.0 111.102 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.418 ' O ' ' HA3' ' A' ' 72' ' ' GLY . 2.6 t70 -89.13 156.92 18.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.56 175.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 60.4 mtt -85.52 -4.11 59.06 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.623 -177.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -112.76 -12.96 13.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.431 0.634 . . . . 0.0 109.93 -178.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -101.62 120.34 40.18 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.431 -176.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.58 -123.91 20.55 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.723 -0.671 . . . . 0.0 113.507 171.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.49 ' CD ' ' H ' ' A' ' 71' ' ' GLU . 1.1 pm0 -93.38 11.28 28.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.625 0.25 . . . . 0.0 110.786 -177.602 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' A' ' 66' ' ' ASP . . . -59.4 -34.2 79.66 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.385 174.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.3 p -67.28 -34.12 67.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 120.986 0.422 . . . . 0.0 110.955 176.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -71.04 -46.61 61.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.185 178.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.02 -31.26 72.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.161 0.505 . . . . 0.0 110.339 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -59.51 -52.34 65.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.916 178.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -77.05 -31.57 56.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.39 -178.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -63.14 -44.58 95.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.997 -177.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -89.74 -28.29 19.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.636 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 81.03 74.48 1.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.492 176.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.8 p -76.26 134.79 28.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.254 0.549 . . . . 0.0 111.183 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -136.18 21.5 3.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.601 176.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -139.5 -168.23 2.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.716 -176.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.854 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 36.8 m-85 -92.46 -57.63 0.23 Allowed Pre-proline 0 C--N 1.325 -0.476 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.909 175.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.854 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 73.7 Cg_endo -97.58 151.66 0.92 Allowed 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 122.673 2.249 . . . . 0.0 112.641 177.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.6 m -148.84 122.1 8.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.511 174.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.608 HD22 HD23 ' A' ' 100' ' ' LEU . 6.9 mp -99.33 117.35 33.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.891 179.029 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.498 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 3.0 mm? -102.56 136.22 42.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.808 -178.175 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.438 ' HZ ' HG22 ' A' ' 113' ' ' VAL . 93.6 m-85 -118.21 107.04 13.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.849 176.377 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.526 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 35.7 mm -106.64 127.85 61.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.188 0.518 . . . . 0.0 111.148 -176.398 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.513 ' HA ' HD22 ' A' ' 26' ' ' LEU . 28.7 p-10 -95.83 -178.15 4.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.985 178.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.0 m -66.72 -18.38 65.34 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.7 m -80.66 -26.15 37.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.873 0.368 . . . . 0.0 110.506 177.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.16 11.61 84.75 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.512 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -96.68 16.04 20.13 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -174.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 27.0 t 67.18 103.87 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 O-C-N 123.693 0.62 . . . . 0.0 111.241 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.8 p -79.07 -31.26 14.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.989 0.423 . . . . 0.0 109.879 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -166.1 146.4 6.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.947 176.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.414 ' HD3' HH11 ' A' ' 99' ' ' ARG . 35.4 ttt180 -125.09 117.81 24.76 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.321 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.608 HD23 HD22 ' A' ' 87' ' ' LEU . 57.0 tp -99.22 110.09 22.68 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.088 0.47 . . . . 0.0 110.745 -177.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 46.6 t -94.66 104.71 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.751 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 119.51 151.84 8.95 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -176.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -138.14 114.67 10.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.135 0.467 . . . . 0.0 111.596 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -99.8 -175.41 2.96 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.706 177.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.466 ' OD2' ' HD2' ' A' ' 107' ' ' PRO . 7.3 p-10 -72.12 170.31 14.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.69 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.564 ' HB2' ' HA ' ' A' ' 46' ' ' VAL . . . -45.11 -54.57 13.48 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -171.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.553 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 33.6 Cg_exo -58.8 -53.82 3.43 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.73 1.62 . . . . 0.0 112.982 -174.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -76.02 -23.09 55.16 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.494 ' O ' HG23 ' A' ' 113' ' ' VAL . 24.6 tp -66.04 -51.92 53.81 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.2 tp -59.18 -33.16 70.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.307 177.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -58.88 -48.78 80.18 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.509 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -70.15 -37.73 75.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.25 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.542 ' O ' HG23 ' A' ' 117' ' ' VAL . 70.4 t -61.47 -53.08 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.646 0.26 . . . . 0.0 111.019 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 118' ' ' GLU . 27.4 mtpp -66.21 -54.73 21.67 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -176.444 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 89.5 mt -73.37 -14.2 61.23 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -175.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -82.78 -31.25 30.07 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.548 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 113' ' ' VAL . 69.7 t -79.05 -30.61 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 111.042 -178.03 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 114' ' ' LYS . 7.1 pt-20 -100.86 115.5 30.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.877 0.37 . . . . 0.0 111.166 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.2 t 74.83 111.48 0.07 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.121 177.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -92.19 -5.33 52.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.985 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.801 0 CA-C-O 118.78 -1.011 . . . . 0.0 111.394 -179.731 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.724 0 CA-C-O 120.961 0.201 . . . . 0.0 112.912 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.509 HG12 ' HA ' ' A' ' 53' ' ' ALA . 45.8 mt -63.17 126.11 20.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.231 -0.485 . . . . 0.0 110.966 -178.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -130.51 111.34 12.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 176.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -80.34 138.14 36.67 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.446 -176.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -86.21 163.08 17.99 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 175.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -126.8 111.61 14.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.914 0.388 . . . . 0.0 111.225 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.411 HD12 HD13 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -143.19 164.96 28.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.399 175.187 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.442 ' HB2' ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -70.54 166.13 21.21 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -174.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.664 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 17.5 t80 -53.34 -54.18 48.01 Favored Pre-proline 0 CA--C 1.543 0.705 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.107 -175.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.664 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 32.3 Cg_exo -58.8 -42.81 49.35 Favored 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 121.912 1.741 . . . . 0.0 112.19 178.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -62.87 -35.98 81.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.096 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.69 -54.57 40.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.278 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.79 -43.97 97.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.279 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -61.85 -44.2 97.31 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.291 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.569 ' HA ' HG12 ' A' ' 22' ' ' VAL . 22.1 tpt180 -68.32 -38.41 81.54 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.117 -177.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.627 ' HA ' HG21 ' A' ' 61' ' ' VAL . . . -57.27 -48.25 79.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.373 . . . . 0.0 110.368 176.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -63.93 -44.0 94.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.612 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.569 HG12 ' HA ' ' A' ' 19' ' ' ARG . 12.5 p -78.52 -35.52 19.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -174.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -78.62 -37.43 42.24 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 122.102 -0.374 . . . . 0.0 111.054 -176.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -174.02 -79.71 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.689 0 CA-C-O 121.335 0.588 . . . . 0.0 110.956 175.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.902 ' HG2' ' HG ' ' A' ' 26' ' ' LEU . 38.5 ttmt 176.51 151.03 0.15 Allowed 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.365 -173.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.902 ' HG ' ' HG2' ' A' ' 25' ' ' LYS . 89.0 mt 72.52 142.05 0.06 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.848 0.832 . . . . 0.0 112.241 170.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.676 ' HB3' HG23 ' A' ' 90' ' ' ILE . 21.5 tp -123.24 122.27 37.97 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.026 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -96.92 101.1 12.62 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 176.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.731 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 41.5 t -93.12 105.88 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.184 -173.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -85.52 103.05 14.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.887 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 62.9 m -99.55 119.53 38.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.736 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -123.91 157.05 35.15 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.717 -177.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.647 HG22 ' H ' ' A' ' 35' ' ' TRP . 93.6 m -98.67 148.98 23.28 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.425 176.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 m -53.47 -21.19 5.75 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.443 0.64 . . . . 0.0 111.4 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.647 ' H ' HG22 ' A' ' 33' ' ' THR . 55.0 t-105 -54.02 -33.67 57.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.097 -0.956 . . . . 0.0 112.109 178.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 35' ' ' TRP . 41.1 t 69.7 -89.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.528 -173.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.443 ' O ' ' HG2' ' A' ' 40' ' ' LYS . . . 54.37 -115.51 5.34 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.449 -0.405 . . . . 0.0 113.302 176.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' HA3' ' A' ' 37' ' ' GLY . 53.2 Cg_exo -54.96 -24.68 40.54 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.622 2.881 . . . . 0.0 113.641 -177.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.1 t -52.69 -41.97 64.37 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.863 0.364 . . . . 0.0 111.342 -178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.469 ' HB2' ' HE3' ' A' ' 40' ' ' LYS . 17.3 ptmt -79.0 -23.24 44.53 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.384 -178.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 41' ' ' ARG . 11.4 ttm180 -64.68 -49.38 71.18 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.6 mp -62.32 -37.95 87.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.856 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.594 ' O ' ' HB2' ' A' ' 47' ' ' PHE . 7.6 t -62.39 -29.29 70.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.571 177.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -73.26 -56.54 4.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.432 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.0 t -89.59 -52.5 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -171.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.449 HG22 ' HB2' ' A' ' 106' ' ' ALA . 41.3 t -71.25 -37.22 65.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.876 0.37 . . . . 0.0 111.275 -173.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.594 ' HB2' ' O ' ' A' ' 43' ' ' SER . 4.6 m-30 -80.68 32.5 0.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.296 -177.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -127.63 -16.83 4.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.02 0.438 . . . . 0.0 110.145 174.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -88.71 121.98 31.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.496 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 m -69.41 -37.38 77.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.735 -177.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.2 tt -68.82 -50.95 45.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.575 0.226 . . . . 0.0 110.56 -175.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.2 t -61.61 -40.15 85.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.086 0.469 . . . . 0.0 110.306 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.509 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -64.42 -47.42 79.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.024 177.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -58.91 -45.49 90.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.197 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -58.28 -43.88 88.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.432 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -69.56 -52.27 27.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.184 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -66.15 -30.78 71.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 112.099 -173.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -89.03 -44.03 10.68 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.966 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -83.22 -9.78 58.95 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -173.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -140.6 169.74 17.08 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.627 HG21 ' HA ' ' A' ' 20' ' ' ALA . 89.4 t -104.89 121.25 56.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 169.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -85.94 142.44 28.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.151 0.5 . . . . 0.0 111.691 -171.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.411 HD13 HD12 ' A' ' 11' ' ' LEU . 39.0 tp -150.1 126.09 10.54 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.642 179.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -91.23 116.43 28.81 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 171.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.8 tpt -102.86 132.66 48.9 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 120.919 0.39 . . . . 0.0 110.545 -175.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.441 ' HB3' ' O ' ' A' ' 69' ' ' LYS . 0.8 OUTLIER -73.28 157.03 37.84 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.182 178.715 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 73.6 mmm -128.27 -5.91 5.41 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.077 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -115.94 -32.83 5.29 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.55 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 66' ' ' ASP . 60.7 mttm -121.26 176.86 5.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.623 175.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 60.47 48.94 83.68 Favored Glycine 0 CA--C 1.518 0.263 0 CA-C-N 115.91 -0.586 . . . . 0.0 114.042 171.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 64.5 19.07 11.68 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 122.714 0.406 . . . . 0.0 111.516 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.44 -31.79 71.2 Favored Glycine 0 C--N 1.331 0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.883 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.7 m -54.76 -35.71 34.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -69.6 -47.47 63.41 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.178 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.7 mt -66.81 -35.45 80.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.065 0.46 . . . . 0.0 110.115 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.404 ' HG3' HG11 ' A' ' 81' ' ' VAL . 61.4 ttp180 -58.9 -49.32 78.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.862 178.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -76.99 -37.78 54.46 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.226 -175.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -80.45 -34.05 36.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.109 -172.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.647 ' HD2' ' HD3' ' A' ' 99' ' ' ARG . 69.0 m-85 -97.51 1.93 49.6 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.71 0.291 . . . . 0.0 111.626 -177.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 63.55 76.51 0.27 Allowed Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.738 -0.664 . . . . 0.0 113.866 172.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.404 HG11 ' HG3' ' A' ' 76' ' ' ARG . 9.0 p -77.42 143.27 13.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -126.79 -32.13 2.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.737 0.303 . . . . 0.0 111.273 -178.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.21 -148.12 0.34 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.301 -179.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.667 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 24.5 m-85 -91.95 -53.73 0.27 Allowed Pre-proline 0 CA--C 1.539 0.522 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -172.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.667 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 29.2 Cg_endo -96.09 123.79 0.28 Allowed 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.827 2.351 . . . . 0.0 113.02 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.0 m -134.19 126.26 29.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.304 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.69 HD12 HD23 ' A' ' 100' ' ' LEU . 90.7 mt -107.49 124.43 49.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.995 0.426 . . . . 0.0 110.661 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.731 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 78.1 mt -109.86 120.43 42.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.783 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -97.54 106.67 19.03 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 175.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.676 HG23 ' HB3' ' A' ' 27' ' ' LEU . 16.8 tt -125.71 139.94 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-O 121.173 0.511 . . . . 0.0 111.134 -172.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -77.89 168.1 20.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.019 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.4 m -67.5 -19.05 65.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.105 0.478 . . . . 0.0 110.699 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.5 m -72.05 -14.64 61.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.953 177.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 92.62 19.16 38.66 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.851 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -114.35 137.39 51.87 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.562 ' HA ' ' HA ' ' A' ' 90' ' ' ILE . 26.9 m -86.91 144.6 8.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.97 0.414 . . . . 0.0 110.356 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 34.7 m -97.71 -23.56 4.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.232 177.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -165.14 136.25 4.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.152 -177.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.647 ' HD3' ' HD2' ' A' ' 79' ' ' TYR . 52.0 mtm180 -108.78 114.18 27.75 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.89 174.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.69 HD23 HD12 ' A' ' 87' ' ' LEU . 53.9 tp -91.82 107.03 18.92 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.138 0.494 . . . . 0.0 109.916 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 59.1 t -97.46 103.45 14.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.13 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.8 173.49 17.36 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.655 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -134.92 132.03 37.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.031 0.444 . . . . 0.0 110.275 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -119.89 -178.52 3.66 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.79 157.64 34.29 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.104 -0.239 . . . . 0.0 110.473 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.449 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -43.89 -56.26 7.77 Favored Pre-proline 0 N--CA 1.474 0.725 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -171.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.04 -39.45 80.2 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 121.982 1.788 . . . . 0.0 112.273 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -69.7 -39.56 76.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.344 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.52 ' O ' HG23 ' A' ' 113' ' ' VAL . 0.8 OUTLIER -62.52 -50.37 71.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.765 179.643 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.1 tp -58.41 -37.4 75.28 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.222 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -64.31 -48.1 76.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.489 178.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -60.62 -34.48 74.31 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.248 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 109' ' ' LEU . 82.8 t -60.41 -50.69 79.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.622 177.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -65.25 -45.38 84.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.218 -178.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.66 -25.82 68.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.302 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -79.02 -40.95 15.13 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.588 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 48.6 t -80.61 -40.57 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.078 0.466 . . . . 0.0 110.639 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.873 -179.713 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.618 0 CA-C-O 120.953 0.196 . . . . 0.0 113.158 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.599 HG12 ' HA ' ' A' ' 47' ' ' PHE . 20.4 mm -86.48 138.64 18.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.675 0.274 . . . . 0.0 110.339 -178.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -116.41 109.79 17.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.072 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.809 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 46.7 m-85 -100.83 146.39 27.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.14 0.495 . . . . 0.0 111.496 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.447 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -108.94 147.29 32.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.335 173.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -121.12 94.98 4.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.994 0.426 . . . . 0.0 111.021 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.402 ' H ' HD11 ' A' ' 63' ' ' LEU . 3.4 mm? -126.61 167.46 15.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.357 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.8 m -75.82 159.64 30.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.988 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.606 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 91.3 t80 -52.13 -53.05 56.41 Favored Pre-proline 0 CA--C 1.539 0.529 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.606 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 71.6 Cg_exo -48.48 -49.88 13.55 Favored 'Trans proline' 0 C--N 1.358 1.068 0 C-N-CA 122.203 1.936 . . . . 0.0 112.806 176.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -61.24 -46.9 88.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.377 178.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.5 -42.89 79.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.795 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.481 ' HA ' HD21 ' A' ' 27' ' ' LEU . 39.0 tp -67.92 -53.31 27.42 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.536 0.684 . . . . 0.0 110.207 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -56.84 -49.51 75.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.638 -1.165 . . . . 0.0 111.648 -177.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -65.63 -39.77 91.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.755 -177.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.41 -33.76 76.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.672 0.272 . . . . 0.0 111.017 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.07 -40.69 82.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.661 0.267 . . . . 0.0 110.788 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.678 HG23 ' HG3' ' A' ' 23' ' ' GLU . 30.4 m -86.17 -34.71 8.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -175.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.678 ' HG3' HG23 ' A' ' 22' ' ' VAL . 45.7 mt-10 -108.51 -36.97 6.07 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -173.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.518 ' CG ' ' H ' ' A' ' 25' ' ' LYS . 10.3 t70 -118.2 -148.44 0.42 Allowed 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.201 -0.6 . . . . 0.0 112.532 -164.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.518 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 43.9 tttm -126.53 -51.57 1.49 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.687 -165.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 50.1 mt -148.95 157.45 43.43 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.522 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.481 HD21 ' HA ' ' A' ' 17' ' ' LEU . 8.6 mp -87.26 111.17 20.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.234 176.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.476 ' HB3' ' O ' ' A' ' 61' ' ' VAL . 82.8 t80 -110.06 114.78 28.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 178.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.822 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 98.4 t -107.36 121.19 59.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.864 0.364 . . . . 0.0 111.133 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -87.83 108.97 19.41 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.026 173.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.498 ' SG ' ' HG2' ' A' ' 67' ' ' MET . 51.5 t -115.04 113.77 24.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.145 -178.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.493 ' CE1' ' HE3' ' A' ' 64' ' ' LYS . 21.4 p90 -123.68 159.85 28.46 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.312 -0.403 . . . . 0.0 109.917 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 m -99.3 155.1 17.68 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.8 m -62.12 -16.57 53.42 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -174.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -60.68 132.98 55.59 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.954 0.407 . . . . 0.0 111.19 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.9 m -80.61 107.37 13.36 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.712 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.44 ' HA3' ' HD2' ' A' ' 38' ' ' PRO . . . -154.26 -123.46 0.89 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.419 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.554 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 9.5 Cg_endo -52.32 -36.88 70.05 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.403 2.735 . . . . 0.0 112.633 -178.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.6 p -54.24 -37.25 64.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.585 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -74.01 -37.23 64.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.773 -177.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -70.94 -40.31 72.1 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 38' ' ' PRO . 94.3 mt -56.6 -42.67 79.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.964 176.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' ' 47' ' ' PHE . 50.1 m -59.55 -28.61 67.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.667 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -84.7 -47.71 10.18 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -177.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.554 HG13 HG23 ' A' ' 46' ' ' VAL . 7.4 p -95.64 -53.15 8.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.127 0.489 . . . . 0.0 112.103 -174.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.554 HG23 HG13 ' A' ' 45' ' ' VAL . 58.0 t -67.47 -42.38 87.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.194 -177.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.599 ' HA ' HG12 ' A' ' 6' ' ' ILE . 3.6 m-85 -81.58 29.26 0.38 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.175 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -134.73 -28.82 1.2 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 176.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -72.85 130.98 41.66 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.374 -176.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.7 m -69.81 -40.31 76.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.486 -177.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.94 -51.27 68.79 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.817 0.342 . . . . 0.0 110.666 -177.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.534 HG11 HG13 ' A' ' 46' ' ' VAL . 93.7 t -60.07 -45.79 95.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.908 178.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.479 ' HA ' HD13 ' A' ' 6' ' ' ILE . . . -60.03 -51.17 70.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.471 -178.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -63.99 -39.02 93.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.75 -176.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -61.84 -58.68 7.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.907 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -61.7 -46.24 90.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.79 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -71.05 -49.01 49.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -172.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -79.47 -24.3 42.47 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -170.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -95.55 -25.23 16.27 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 89.7 m-85 -142.9 163.68 32.14 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 121.18 -0.208 . . . . 0.0 111.074 -177.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.476 ' O ' ' HB3' ' A' ' 28' ' ' PHE . 85.4 t -78.78 118.16 25.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.506 176.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.582 ' N ' HD22 ' A' ' 62' ' ' ASN . 0.8 OUTLIER -88.89 94.94 10.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.157 178.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.717 HD23 HG22 ' A' ' 29' ' ' VAL . 52.9 tp -96.9 125.93 41.68 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.965 0.412 . . . . 0.0 110.18 -178.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.809 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 48.2 tptt -100.62 122.03 42.6 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.7 mtt -132.39 158.09 42.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.543 0.687 . . . . 0.0 111.824 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.87 156.26 17.63 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.143 175.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.498 ' HG2' ' SG ' ' A' ' 31' ' ' CYS . 66.1 mtp -78.42 -19.4 53.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.945 0.402 . . . . 0.0 110.388 -179.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 45.1 mt-10 -141.83 132.88 26.1 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 176.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 68' ' ' GLU . 10.4 mtmp? 76.56 111.85 0.07 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.406 1.066 . . . . 0.0 110.356 -170.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.17 46.27 1.37 Allowed Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.916 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 66.11 14.07 9.44 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.329 0.652 . . . . 0.0 111.56 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.44 -35.91 59.5 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.503 -177.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.3 p -60.71 -36.69 72.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 120.69 0.281 . . . . 0.0 110.955 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.545 ' O ' ' HB2' ' A' ' 78' ' ' LYS . 0.3 OUTLIER -66.67 -49.99 64.38 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.799 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.9 mt -60.02 -38.14 81.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.56 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -61.14 -50.03 74.86 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.863 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HE3' ' HB2' ' A' ' 77' ' ' LYS . 3.6 tppp? -72.07 -28.16 63.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.505 0.669 . . . . 0.0 110.151 -178.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.545 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 28.8 tttp -65.92 -49.31 68.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.602 -175.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.401 ' CE1' HG11 ' A' ' 96' ' ' VAL . 18.8 m-85 -105.22 -27.68 11.41 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -173.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.85 51.32 15.5 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.483 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.7 m -77.56 156.84 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.51 0.195 . . . . 0.0 110.996 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -143.01 18.3 1.95 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.822 0.344 . . . . 0.0 111.651 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.09 -178.21 3.58 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.879 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 95.2 m-85 -92.53 -58.19 0.23 Allowed Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.607 176.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.879 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 38.2 Cg_endo -98.45 119.89 0.13 Allowed 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 122.621 2.214 . . . . 0.0 112.129 175.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.2 m -128.48 139.86 52.12 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.761 0.315 . . . . 0.0 111.005 -177.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.529 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 72.8 mt -108.86 113.07 25.69 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.822 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 87.6 mt -98.94 120.33 39.21 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.501 -177.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -110.66 127.67 55.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.558 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.407 ' HB ' ' HB2' ' A' ' 27' ' ' LEU . 66.7 mt -131.58 136.41 57.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 177.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -95.44 178.53 5.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.494 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.3 m -63.14 -19.01 64.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.288 -173.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.0 m -74.96 -11.34 60.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.671 0.272 . . . . 0.0 111.129 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 86.16 22.65 47.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.422 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -127.43 154.58 44.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.887 0.375 . . . . 0.0 110.833 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.401 HG11 ' CE1' ' A' ' 79' ' ' TYR . 6.3 p -91.7 127.83 43.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.799 174.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 47.5 t -92.95 -48.04 13.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.093 0.473 . . . . 0.0 110.073 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.425 ' HE2' HD23 ' A' ' 100' ' ' LEU . 91.7 t80 -134.73 136.19 42.49 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.837 -178.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -102.1 124.72 48.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.021 177.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 2.8 tm? -104.22 107.56 18.53 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 19.1 m -103.21 136.0 38.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.666 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.41 119.05 0.94 Allowed Glycine 0 N--CA 1.443 -0.891 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.281 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.5 ' H ' ' HG2' ' A' ' 85' ' ' PRO . . . -101.43 146.47 27.58 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.334 -0.433 . . . . 0.0 110.176 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.446 ' HG3' ' HG3' ' A' ' 108' ' ' GLU . 26.3 mm-40 -117.83 -174.71 2.69 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.28 -178.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.27 158.58 13.92 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 170.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.616 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -44.26 -57.19 6.7 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -171.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.616 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 25.2 Cg_exo -63.44 -40.16 32.8 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.658 1.572 . . . . 0.0 112.851 -177.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.446 ' HG3' ' HG3' ' A' ' 104' ' ' GLU . 45.2 tp10 -70.46 -38.81 74.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.523 -177.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 103' ' ' ALA . 37.0 tp -64.36 -45.77 86.31 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 120.987 0.422 . . . . 0.0 110.001 177.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 69.6 mt -52.49 -38.73 60.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.343 176.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.567 ' HG2' ' O ' ' A' ' 107' ' ' PRO . 34.7 mmtp -61.5 -48.33 81.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.411 177.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.515 ' HB3' HD21 ' A' ' 100' ' ' LEU . 54.9 mtpt -64.67 -40.12 94.86 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.321 -178.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 109' ' ' LEU . 89.4 t -67.18 -47.58 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.674 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -63.79 -38.95 93.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.573 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 115' ' ' LEU . 2.7 tm? -77.6 -22.64 50.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.486 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -86.24 -38.15 8.61 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.42 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.1 t -82.44 -47.7 18.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.825 0.312 . . . . 0.0 110.92 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.424 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.052 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.3 mt -85.85 121.43 37.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.923 0.392 . . . . 0.0 110.363 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.52 90.87 4.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.057 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -83.92 126.95 33.49 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.235 174.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.431 ' O ' HD12 ' A' ' 63' ' ' LEU . 53.6 mtp180 -92.98 160.33 14.93 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 177.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -125.44 93.87 3.98 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 176.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.8 mt -125.63 161.51 27.06 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.421 -175.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.5 m -69.88 162.81 27.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.748 176.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.657 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 57.5 t80 -57.84 -52.77 71.98 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.062 -177.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.657 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 31.8 Cg_exo -55.51 -45.74 37.39 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 121.934 1.756 . . . . 0.0 112.225 175.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.27 -54.22 49.29 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.878 -177.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.08 -49.24 78.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.652 -176.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.502 ' CD2' ' HG ' ' A' ' 27' ' ' LEU . 41.4 mt -61.37 -53.59 54.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.212 -177.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -65.27 -42.27 93.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.727 -173.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -60.89 -39.53 89.6 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-O 120.992 0.425 . . . . 0.0 110.053 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.95 ' HA ' ' HB2' ' A' ' 24' ' ' ASP . . . -69.37 -42.19 75.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.638 178.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -58.98 -35.4 73.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.257 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.6 t -88.04 -54.95 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -105.11 -33.79 8.16 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -171.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.95 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 23.4 m-20 -100.38 -156.97 0.58 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.821 -171.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -120.19 -90.45 0.58 Allowed 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.553 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.9 mt -103.9 162.27 13.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.99 0.424 . . . . 0.0 111.711 -172.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.559 ' HB2' ' HB ' ' A' ' 90' ' ' ILE . 3.5 mm? -97.36 123.7 41.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.688 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -113.67 106.55 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 174.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.857 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 21.9 t -100.88 112.03 32.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.479 -176.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -93.94 100.66 12.78 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.425 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.5 m -106.67 113.39 26.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.455 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -125.27 158.76 33.32 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.122 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.6 p -99.37 157.98 16.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.384 0.611 . . . . 0.0 111.127 177.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.2 p -90.5 16.56 8.71 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.283 -0.872 . . . . 0.0 110.449 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -55.55 -68.67 0.18 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.977 -1.01 . . . . 0.0 112.271 -172.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.7 p -121.89 -73.44 0.65 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.679 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.665 ' H ' ' HD3' ' A' ' 38' ' ' PRO . . . 171.67 49.64 0.04 OUTLIER Glycine 0 CA--C 1.523 0.567 0 C-N-CA 120.728 -0.748 . . . . 0.0 113.922 174.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.665 ' HD3' ' H ' ' A' ' 37' ' ' GLY . 23.8 Cg_exo -64.73 -34.43 50.56 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.105 1.87 . . . . 0.0 111.804 176.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.5 t -65.65 -31.95 73.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.155 0.502 . . . . 0.0 109.886 177.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -72.73 -31.31 64.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.057 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -61.18 -48.93 79.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.169 173.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.3 mt -66.36 -21.22 66.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.76 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.586 ' HA ' ' HB2' ' A' ' 47' ' ' PHE . 37.2 t -65.51 -28.84 69.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.176 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.519 ' HG3' HG23 ' A' ' 45' ' ' VAL . 27.3 tptp -58.81 -66.47 0.49 Allowed 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.927 0.344 . . . . 0.0 111.927 -177.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.519 HG23 ' HG3' ' A' ' 44' ' ' LYS . 58.5 t -108.21 -50.29 7.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.645 0.26 . . . . 0.0 111.314 -176.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.5 t -55.2 -50.62 62.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.517 -172.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.586 ' HB2' ' HA ' ' A' ' 43' ' ' SER . 20.4 m-30 -85.52 17.58 3.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.76 -176.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -130.82 -0.51 4.26 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -86.32 122.21 29.97 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.3 m -70.13 -42.71 72.23 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -177.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.6 tp -65.78 -47.59 74.65 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.814 0.34 . . . . 0.0 111.147 -175.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.4 t -66.77 -35.43 74.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.693 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.12 -44.9 94.54 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 178.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -58.82 -43.05 90.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.406 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -61.36 -45.84 92.72 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.487 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -65.95 -47.01 76.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.409 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -31.09 70.87 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.204 0.526 . . . . 0.0 111.196 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -76.62 -41.97 44.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.172 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -85.84 -41.73 14.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -174.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -132.06 174.95 9.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.051 0.453 . . . . 0.0 110.691 -173.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 22.1 m -95.05 125.07 47.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 166.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -85.23 98.81 10.71 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.154 0.502 . . . . 0.0 110.532 -177.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 9' ' ' ARG . 44.0 tp -116.82 125.46 51.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.577 -177.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -94.29 131.97 39.36 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 174.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.0 tpt -133.1 116.02 15.8 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.831 0.348 . . . . 0.0 110.413 -178.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -70.55 141.1 51.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.121 0.486 . . . . 0.0 110.002 176.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.7 ttp -94.55 6.09 49.87 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.979 -172.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -120.86 8.14 10.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.686 176.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -124.85 150.93 45.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.151 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 57.84 -128.85 48.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.645 178.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 0.9 OUTLIER -92.86 9.9 33.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.896 0.379 . . . . 0.0 110.255 176.521 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.474 ' HA2' HD12 ' A' ' 75' ' ' LEU . . . -61.39 -33.52 84.9 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.338 178.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.425 ' O ' ' HB3' ' A' ' 76' ' ' ARG . 7.8 p -65.89 -36.82 78.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.261 0.553 . . . . 0.0 109.809 176.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 23.4 mm-40 -65.84 -43.65 87.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.822 175.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.505 HD23 ' HD2' ' A' ' 78' ' ' LYS . 75.3 mt -57.63 -36.12 71.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.412 176.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' A' ' 73' ' ' VAL . 14.3 ttm180 -57.85 -42.82 85.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.251 177.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -76.55 -28.58 56.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.056 177.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.505 ' HD2' HD23 ' A' ' 75' ' ' LEU . 68.0 mttm -74.72 -48.67 24.56 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -175.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -100.88 0.6 38.79 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -171.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.08 70.51 0.95 Allowed Glycine 0 C--N 1.33 0.24 0 O-C-N 123.418 0.449 . . . . 0.0 113.178 174.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.5 p -60.39 137.7 22.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.109 0.48 . . . . 0.0 110.797 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -122.01 -48.41 2.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.56 178.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.13 -159.39 0.6 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.313 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.852 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 44.7 m-85 -91.62 -54.27 0.27 Allowed Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.773 -0.194 . . . . 0.0 110.561 178.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.852 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 4.1 Cg_endo -89.88 140.42 3.46 Favored 'Trans proline' 0 N--CA 1.451 -0.989 0 C-N-CA 122.239 1.959 . . . . 0.0 111.652 173.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 47.2 m -133.77 110.38 9.76 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.995 0.426 . . . . 0.0 110.359 177.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.551 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 6.9 mp -83.9 122.04 28.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.656 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.857 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 79.7 mt -114.42 135.66 53.85 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -178.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.473 ' CZ ' HG23 ' A' ' 113' ' ' VAL . 53.2 m-85 -121.25 109.35 14.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.052 -177.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.559 ' HB ' ' HB2' ' A' ' 27' ' ' LEU . 68.8 mt -108.66 131.71 58.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.896 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -94.69 177.66 5.84 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 m -60.3 -30.0 69.2 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.002 0.43 . . . . 0.0 111.173 -177.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.2 t -81.82 -11.93 58.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.468 -176.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.64 25.4 62.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.311 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -99.91 150.67 22.16 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 44.0 t -78.17 101.4 3.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.95 0.405 . . . . 0.0 110.184 -178.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.2 t -77.33 -57.27 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.601 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -146.03 143.35 29.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.145 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.421 ' HD3' HH11 ' A' ' 99' ' ' ARG . 2.5 ptm180 -120.84 130.17 53.84 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 175.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.551 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 4.2 tt -129.36 110.88 12.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.817 0.342 . . . . 0.0 110.205 -174.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.6 m -103.9 120.62 54.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.123 0.487 . . . . 0.0 110.466 176.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.12 160.81 13.67 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.759 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -135.78 132.8 37.21 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.945 0.402 . . . . 0.0 110.653 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.596 ' HG2' ' HD2' ' A' ' 112' ' ' LYS . 69.4 mm-40 -94.45 -175.71 3.71 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.328 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.561 ' HB3' ' HD2' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -67.87 165.13 18.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.958 173.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.543 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -47.66 -52.24 39.49 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -177.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.561 ' HD2' ' HB3' ' A' ' 105' ' ' ASP . 33.0 Cg_exo -61.01 -45.73 18.61 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 121.775 1.65 . . . . 0.0 112.389 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.59 -26.32 60.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.64 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.401 ' O ' HG12 ' A' ' 113' ' ' VAL . 0.3 OUTLIER -55.79 -46.31 78.0 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.472 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.9 tp -66.84 -41.82 86.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.135 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -69.21 -41.38 77.15 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.474 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.596 ' HD2' ' HG2' ' A' ' 104' ' ' GLU . 28.9 tttp -63.32 -44.48 94.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.75 -176.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.473 HG23 ' CZ ' ' A' ' 89' ' ' PHE . 7.9 p -70.71 -38.63 73.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.633 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -64.73 -52.66 55.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.809 0.338 . . . . 0.0 110.592 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 43.7 tp -68.7 -26.56 65.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -76.62 -47.01 10.59 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.647 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 90.4 t -72.3 -35.66 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.62 0.248 . . . . 0.0 111.014 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 . . . . . 0 C--N 1.326 -0.434 0 CA-C-O 120.92 0.391 . . . . 0.0 110.755 178.331 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.972 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.552 HG12 ' HA ' ' A' ' 53' ' ' ALA . 49.5 mt -59.7 119.29 3.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.022 0.439 . . . . 0.0 111.342 -174.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.55 94.9 5.06 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.231 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -71.56 129.86 39.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.451 177.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 9' ' ' ARG . 16.6 mmm-85 -78.11 136.75 37.93 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.913 -176.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -101.73 96.17 6.91 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 172.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.6 mt -135.74 167.48 21.07 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.734 -175.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.402 ' HB3' ' CG ' ' A' ' 15' ' ' GLU . 28.1 t -79.29 163.5 24.87 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 174.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.513 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 50.9 t80 -54.63 -60.15 8.58 Favored Pre-proline 0 CA--C 1.544 0.714 0 O-C-N 123.265 0.353 . . . . 0.0 111.778 -176.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.513 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 34.3 Cg_endo -65.34 -36.59 34.73 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 121.845 1.697 . . . . 0.0 112.156 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.581 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 34.4 mm-40 -58.52 -54.67 44.43 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.069 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.21 89.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.4 -174.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.6 tp -58.24 -53.47 57.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.296 0.57 . . . . 0.0 110.382 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.475 ' NZ ' ' HB2' ' A' ' 18' ' ' LYS . 2.7 ttmp? -62.18 -39.93 94.33 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.546 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.581 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 24.6 mmt180 -58.81 -41.53 86.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.736 177.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.667 ' HA ' HG21 ' A' ' 61' ' ' VAL . . . -62.55 -44.54 96.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.232 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -56.27 -40.95 75.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.345 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 85.3 t -90.17 -50.72 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -83.63 -38.31 21.73 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -167.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.528 ' HB2' ' CG2' ' A' ' 61' ' ' VAL . 54.9 m-20 -140.23 -127.41 0.11 Allowed 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.299 -173.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.644 ' HG2' ' HG ' ' A' ' 26' ' ' LEU . 37.6 tttp -156.66 127.82 6.93 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.491 -174.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.644 ' HG ' ' HG2' ' A' ' 25' ' ' LYS . 96.9 mt 66.91 142.68 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.834 0.826 . . . . 0.0 112.221 174.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.523 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 35.7 tp -104.46 108.15 19.44 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.63 177.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.414 ' CZ ' HD22 ' A' ' 87' ' ' LEU . 64.2 t80 -90.56 101.56 14.3 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.74 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 47.9 t -95.7 116.84 38.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.805 -176.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -100.95 107.09 18.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.844 175.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.521 ' HB2' ' HB ' ' A' ' 86' ' ' THR . 80.4 m -94.78 114.08 25.92 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.357 176.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -119.34 154.87 32.89 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.187 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 51.9 p -98.35 171.87 7.91 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.8 m -70.81 -23.29 62.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.954 0.407 . . . . 0.0 110.354 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -69.22 122.41 18.78 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.184 175.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.2 p -99.04 121.85 41.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.178 0.514 . . . . 0.0 111.104 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.24 -87.25 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.521 177.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.438 ' HB2' ' HG3' ' A' ' 85' ' ' PRO . 48.7 Cg_exo -55.07 -40.71 84.46 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 123.18 2.587 . . . . 0.0 112.854 177.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 85' ' ' PRO . 56.8 m -70.34 -21.91 62.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.598 0.237 . . . . 0.0 110.916 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -70.45 -29.22 65.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.181 0.515 . . . . 0.0 109.947 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -60.12 -39.2 85.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.022 174.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.533 HD11 HD22 ' A' ' 109' ' ' LEU . 12.2 tp -67.68 -40.26 84.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.891 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.61 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 15.6 m -61.92 -38.98 90.45 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.207 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -56.17 -57.83 10.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.25 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.474 HG23 HG23 ' A' ' 46' ' ' VAL . 5.3 m -97.4 -45.41 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -172.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.474 HG23 HG23 ' A' ' 45' ' ' VAL . 36.1 t -72.5 -28.93 29.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.071 0.462 . . . . 0.0 111.323 -171.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.61 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 34.2 m-85 -95.55 21.35 8.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.861 0.363 . . . . 0.0 110.736 178.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -134.45 -44.16 0.76 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.047 -177.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.88 130.14 42.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.989 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.0 m -66.73 -45.61 78.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.078 -176.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.6 mt -70.74 -43.51 68.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.373 -174.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.8 t -61.79 -50.03 81.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.471 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.552 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -59.99 -39.91 87.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.408 ' O ' ' HG3' ' A' ' 58' ' ' ARG . 23.3 t70 -64.42 -48.18 76.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.182 -179.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -61.71 -51.73 67.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.35 -176.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -67.94 -30.72 70.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.865 -175.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -70.76 -34.35 71.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.75 0.31 . . . . 0.0 111.159 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 54' ' ' ASP . 58.2 mtt180 -83.12 -44.11 15.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.708 -178.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -88.16 -10.03 51.22 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -170.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.497 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 69.4 m-85 -142.6 146.3 34.41 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.667 HG21 ' HA ' ' A' ' 20' ' ' ALA . 89.0 t -91.47 110.1 22.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 168.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -86.23 116.08 24.19 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.661 -174.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 54.8 tp -113.7 126.25 55.03 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.472 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -103.79 133.38 48.87 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 176.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 53.2 ttm -147.25 140.83 25.56 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.95 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -75.55 156.25 35.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.711 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 79.8 mtp -98.99 -3.53 34.7 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 172.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 47.3 mt-10 -127.06 111.11 13.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.326 173.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 68' ' ' GLU . 97.6 mttt 73.4 160.99 0.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.3 1.0 . . . . 0.0 110.778 -173.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 78.56 28.57 54.97 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.885 -178.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 69.29 16.17 8.43 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.405 0.682 . . . . 0.0 111.352 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.82 -32.05 82.87 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.193 178.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.3 p -57.61 -35.5 50.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-O 120.696 0.284 . . . . 0.0 111.297 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -64.07 -51.65 63.05 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.037 0.446 . . . . 0.0 110.428 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.9 mp -71.24 -31.72 67.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.308 -176.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.666 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 37.3 ttt180 -59.22 -42.25 90.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.254 0.55 . . . . 0.0 110.291 177.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -77.17 -30.08 54.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.804 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -76.07 -49.68 16.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.979 -172.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -98.36 -16.64 19.23 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.992 -174.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.52 110.86 1.49 Allowed Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 176.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.666 ' HB ' ' HG3' ' A' ' 76' ' ' ARG . 8.4 p -71.83 134.32 30.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.149 0.5 . . . . 0.0 110.31 176.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 54.5 m80 -136.1 -70.35 0.47 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.972 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.36 -160.15 0.76 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.003 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.675 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 42.3 m-85 -90.86 -48.04 0.36 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.554 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.675 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 84.8 Cg_endo -89.28 143.35 4.64 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 121.871 1.714 . . . . 0.0 111.597 170.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.521 ' HB ' ' HB2' ' A' ' 31' ' ' CYS . 62.6 m -148.55 114.26 5.69 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.03 0.443 . . . . 0.0 110.608 177.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.648 HD12 HD23 ' A' ' 100' ' ' LEU . 82.0 mt -93.66 116.5 29.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.074 -178.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.74 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 81.9 mt -105.48 127.6 53.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.908 176.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -109.17 106.62 16.57 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.284 -177.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.523 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 45.4 mm -113.68 118.84 59.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.737 -175.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -93.23 -174.08 3.43 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 176.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.1 p -56.34 -27.56 56.21 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -177.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.8 m -66.25 -27.47 67.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.726 0.298 . . . . 0.0 111.764 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 91.02 -11.13 73.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.766 -176.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -88.29 167.83 13.22 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 18.3 m -93.22 124.31 45.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.057 0.456 . . . . 0.0 111.261 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.43 HG13 ' HD1' ' A' ' 98' ' ' TYR . 3.4 p -74.42 -43.31 49.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 174.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.531 ' OH ' ' HA ' ' A' ' 113' ' ' VAL . 18.3 p90 -161.72 165.07 28.62 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 172.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -125.15 140.64 52.69 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.648 HD23 HD12 ' A' ' 87' ' ' LEU . 48.0 tp -125.66 125.42 43.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.902 0.382 . . . . 0.0 110.819 -176.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 60.5 t -102.73 107.86 22.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.289 177.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.404 ' HA2' ' HG2' ' A' ' 85' ' ' PRO . . . 119.64 148.13 8.16 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.121 179.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -124.93 114.86 19.71 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -95.92 -175.53 3.44 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.676 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.83 166.31 9.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.326 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.558 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -52.13 -51.79 68.34 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -172.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.558 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 37.2 Cg_exo -58.21 -45.14 33.22 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.787 1.658 . . . . 0.0 112.534 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.521 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 11.0 mm-40 -69.39 -40.29 77.46 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 -179.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.533 HD22 HD11 ' A' ' 42' ' ' LEU . 47.7 tp -52.63 -55.62 21.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.465 178.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 54.8 tp -56.35 -39.89 73.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.099 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -65.37 -42.91 92.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.844 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 108' ' ' GLU . 13.7 mmmm -65.99 -27.56 68.23 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 120.626 0.25 . . . . 0.0 111.294 -177.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.531 ' HA ' ' OH ' ' A' ' 98' ' ' TYR . 76.2 t -71.13 -52.92 23.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.363 . . . . 0.0 110.45 177.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 118' ' ' GLU . 96.2 mttt -66.25 -44.94 82.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.438 -178.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 30.1 tp -67.33 -20.66 65.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.05 -177.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -89.66 -40.7 5.9 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.844 -0.693 . . . . 0.0 113.134 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 22.0 m -66.31 -35.85 75.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.91 0.355 . . . . 0.0 111.901 -176.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 114' ' ' LYS . 9.9 pt-20 . . . . . 0 N--CA 1.447 -0.597 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 175.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.587 0 CA-C-O 121.03 0.239 . . . . 0.0 113.457 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.1 mt -57.86 123.55 9.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.163 -0.519 . . . . 0.0 111.507 -177.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -113.17 114.39 26.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.454 177.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.687 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 83.9 m-85 -84.14 145.4 28.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.53 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -94.69 128.64 41.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.239 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -82.72 94.42 7.6 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 174.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 11' ' ' LEU . 12.6 tp -139.12 167.92 20.98 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.234 -175.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.8 p -83.23 168.8 16.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.093 0.473 . . . . 0.0 110.363 176.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.495 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 81.3 t80 -63.22 -53.44 53.88 Favored Pre-proline 0 C--N 1.317 -0.82 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.886 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 20.8 Cg_endo -61.16 -39.58 57.75 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.113 1.876 . . . . 0.0 112.592 -177.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.4 -54.71 32.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.353 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.54 -41.08 84.74 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.073 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.6 tp -58.03 -50.38 73.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.17 0.51 . . . . 0.0 110.528 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -56.85 -43.14 80.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.711 178.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -58.68 -49.01 79.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.491 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.414 ' HB1' ' O ' ' A' ' 25' ' ' LYS . . . -66.48 -30.98 71.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.728 0.299 . . . . 0.0 111.347 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -64.17 -46.7 82.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.125 0.488 . . . . 0.0 110.568 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.7 t -77.88 -39.26 25.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.327 -177.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.667 ' HG2' ' HE2' ' A' ' 25' ' ' LYS . 21.0 tt0 -85.31 -0.08 53.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.054 0.454 . . . . 0.0 110.778 -176.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.6 t70 61.49 52.17 3.82 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.989 170.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.667 ' HE2' ' HG2' ' A' ' 23' ' ' GLU . 56.2 mtmt -144.56 -178.65 6.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.898 179.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 91' ' ' ASN . 3.0 mm? -100.9 157.61 16.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.929 0.395 . . . . 0.0 111.142 -175.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.608 ' HB2' ' HB ' ' A' ' 90' ' ' ILE . 3.3 mm? -90.8 119.19 30.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.517 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.487 ' CZ ' HD22 ' A' ' 87' ' ' LEU . 76.9 t80 -105.79 101.41 10.92 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 171.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.592 ' HB ' ' HB3' ' A' ' 88' ' ' LEU . 27.6 t -97.26 111.66 27.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.515 -176.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -79.75 98.12 6.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.428 177.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.4 m -98.25 111.86 24.05 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -141.4 155.71 45.87 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.303 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -100.48 152.11 20.77 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.3 p -75.4 16.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -175.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.427 ' O ' ' HB3' ' A' ' 36' ' ' CYS . 49.6 t-105 -53.76 -34.22 58.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.542 177.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 35' ' ' TRP . 48.5 t 77.3 163.58 0.23 Allowed 'General case' 0 CA--C 1.53 0.2 0 O-C-N 124.038 0.836 . . . . 0.0 110.456 -177.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.64 -100.45 1.06 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.261 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.01 -45.05 43.84 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 123.378 2.719 . . . . 0.0 113.353 -177.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.7 p -64.97 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.085 0.469 . . . . 0.0 111.064 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -79.28 -39.74 32.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.363 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -61.55 -41.16 96.95 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.933 0.397 . . . . 0.0 110.393 175.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.7 tp -58.6 -37.04 74.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.128 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.654 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 49.9 m -69.37 -29.64 67.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.307 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -64.33 -37.75 88.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.533 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.63 HG13 HG23 ' A' ' 46' ' ' VAL . 7.4 p -107.39 -52.93 6.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -174.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.63 HG23 HG13 ' A' ' 45' ' ' VAL . 49.9 t -72.13 -38.53 63.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.537 -174.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.654 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 1.6 m-85 -84.65 39.08 0.72 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.135 0.493 . . . . 0.0 110.585 -177.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -133.82 -49.99 0.83 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.746 -178.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -63.18 126.35 27.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.531 -173.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.3 p -65.4 -40.03 92.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.675 -175.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.413 ' HA ' HD13 ' A' ' 51' ' ' LEU . 4.3 mm? -70.62 -52.23 22.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.789 -0.187 . . . . 0.0 111.133 -178.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 88.2 t -59.76 -49.54 83.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.949 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.85 97.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.659 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -69.74 -50.72 40.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.757 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -58.92 -42.93 90.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.898 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -67.81 -49.64 61.16 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.074 -177.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -67.74 -30.65 70.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.897 -175.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -74.05 -51.04 17.05 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.147 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -74.49 -33.57 62.87 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -172.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -117.47 136.52 53.15 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.568 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.3 t -75.14 110.19 9.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.59 ' HB3' ' CD1' ' A' ' 8' ' ' PHE . 12.2 m120 -80.52 105.13 11.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.795 -175.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.442 HD23 HG22 ' A' ' 29' ' ' VAL . 64.7 tp -106.36 126.3 52.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.955 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.687 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 54.3 tttm -96.27 118.94 33.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.335 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 38.3 mtt -137.04 102.52 4.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.278 0.561 . . . . 0.0 111.292 177.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.31 140.37 58.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.473 -0.785 . . . . 0.0 108.921 174.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.432 ' SD ' HG11 ' A' ' 81' ' ' VAL . 45.8 mtm -77.14 1.46 18.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.309 0.576 . . . . 0.0 110.71 176.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -113.18 97.23 6.37 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 167.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.652 ' HG2' ' H ' ' A' ' 70' ' ' GLY . 17.0 ttmm 176.53 179.85 0.19 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 113.783 -1.553 . . . . 0.0 108.398 -168.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.652 ' H ' ' HG2' ' A' ' 69' ' ' LYS . . . -56.71 -69.06 1.39 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.172 -0.537 . . . . 0.0 112.45 177.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.566 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 2.3 mp0 -77.99 -10.75 59.75 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.884 -0.186 . . . . 0.0 111.117 178.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -58.18 -49.17 78.19 Favored Glycine 0 C--N 1.329 0.187 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.782 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.6 p -64.85 -32.71 59.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.686 0.279 . . . . 0.0 110.427 178.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.482 ' O ' ' HB2' ' A' ' 78' ' ' LYS . 43.1 tt0 -66.04 -50.59 63.63 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 81.9 mt -60.23 -40.53 90.52 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.285 0.366 . . . . 0.0 111.458 -177.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.453 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 53.0 ttt180 -61.05 -42.15 97.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.057 0.456 . . . . 0.0 110.613 -178.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -76.62 -35.71 57.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.559 0.695 . . . . 0.0 110.753 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 72.1 tttt -68.17 -49.23 62.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.681 -171.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.623 ' CE1' HG21 ' A' ' 96' ' ' VAL . 92.8 m-85 -101.37 13.37 35.24 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.775 -175.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.41 56.75 22.82 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.521 -0.763 . . . . 0.0 113.214 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.453 ' HB ' ' HG3' ' A' ' 76' ' ' ARG . 58.2 t -79.22 105.66 8.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.053 0.454 . . . . 0.0 110.798 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -109.33 22.89 15.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.302 0.572 . . . . 0.0 110.139 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -129.39 -172.53 2.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.618 176.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.765 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 59.1 m-85 -92.83 -52.32 0.27 Allowed Pre-proline 0 C--N 1.325 -0.463 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.188 177.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.765 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 71.7 Cg_endo -98.0 143.58 0.6 Allowed 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 122.388 2.058 . . . . 0.0 112.145 172.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 80.6 m -150.27 119.56 6.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.115 0.483 . . . . 0.0 110.657 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.666 HD12 HD23 ' A' ' 100' ' ' LEU . 47.6 mt -93.35 117.83 30.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.885 -178.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.592 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 34.1 tp -104.36 125.08 50.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -176.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.52 ' CE1' HG23 ' A' ' 113' ' ' VAL . 45.2 m-85 -107.41 113.7 27.22 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.282 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.773 HG12 HG22 ' A' ' 96' ' ' VAL . 65.9 mt -122.21 141.68 41.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.55 -176.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.511 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -92.46 168.84 11.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.522 176.701 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.6 m -61.91 -21.42 64.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.983 -176.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.7 p -79.99 0.34 32.0 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.872 0.368 . . . . 0.0 111.9 -177.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.26 -33.76 6.07 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.988 173.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -77.15 164.24 25.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.387 0.613 . . . . 0.0 111.968 -176.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.773 HG22 HG12 ' A' ' 90' ' ' ILE . 67.9 t -100.23 128.09 52.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.661 -177.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 30.0 m -88.9 -37.47 10.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.125 -178.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -163.12 155.45 18.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.114 -178.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -135.33 137.61 42.59 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 175.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.666 HD23 HD12 ' A' ' 87' ' ' LEU . 59.4 tp -106.79 109.48 21.4 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.27 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.0 p -85.57 102.78 11.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.617 0.723 . . . . 0.0 110.305 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 120.78 -166.11 13.93 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.515 -176.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -160.02 115.61 2.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.669 0.271 . . . . 0.0 110.626 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.685 ' HB3' ' HB2' ' A' ' 108' ' ' GLU . 0.8 OUTLIER -85.94 169.46 13.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.362 177.081 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -69.78 174.82 4.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.071 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.593 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -48.19 -54.47 24.82 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -170.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.593 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 24.3 Cg_exo -63.41 -47.51 7.55 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 121.834 1.69 . . . . 0.0 112.167 -178.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.685 ' HB2' ' HB3' ' A' ' 104' ' ' GLU . 44.0 mm-40 -68.29 -37.07 80.28 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.096 -176.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.409 ' HA ' HD22 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -60.71 -46.65 89.56 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -179.586 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 43.3 tp -62.46 -32.46 73.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.652 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -73.14 -42.02 63.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.452 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.513 ' HG2' ' O ' ' A' ' 108' ' ' GLU . 31.0 mmmt -64.89 -44.57 89.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.213 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.52 HG23 ' CE1' ' A' ' 89' ' ' PHE . 7.3 p -66.78 -41.52 88.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.029 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -66.55 -51.73 53.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.617 0.246 . . . . 0.0 111.053 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 89.3 mt -76.43 -12.89 60.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.539 -177.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.56 -36.82 47.93 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.372 173.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 61.0 t -84.29 -36.44 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.224 0.535 . . . . 0.0 109.983 176.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 . . . . . 0 C--N 1.327 -0.373 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.212 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.89 ' HA3' ' HB3' ' A' ' 47' ' ' PHE . . . . . . . . 0 N--CA 1.442 -0.928 0 N-CA-C 112.319 -0.312 . . . . 0.0 112.319 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.513 ' H ' ' HD2' ' A' ' 47' ' ' PHE . 80.8 mt -68.43 133.83 31.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.953 0.406 . . . . 0.0 111.6 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.92 115.96 28.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.805 172.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -72.63 159.07 34.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.12 0.486 . . . . 0.0 111.311 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 9' ' ' ARG . 15.1 mtm180 -118.54 115.0 23.68 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 174.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -81.54 111.45 17.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.529 0.68 . . . . 0.0 110.302 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.476 HD21 ' HB3' ' A' ' 15' ' ' GLU . 15.4 tp -145.72 165.48 28.65 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.361 -175.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.1 m -82.21 156.63 24.31 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.648 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 64.7 t80 -56.61 -56.51 31.56 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-O 119.032 -0.508 . . . . 0.0 112.248 -172.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.648 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 67.5 Cg_exo -50.13 -43.55 42.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 122.25 1.966 . . . . 0.0 113.122 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.476 ' HB3' HD21 ' A' ' 11' ' ' LEU . 37.9 mt-10 -65.18 -54.12 34.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.743 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.22 -32.83 72.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.251 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.527 HD11 ' HA ' ' A' ' 92' ' ' SER . 21.4 tp -61.72 -50.25 73.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.748 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -55.9 -42.2 75.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.711 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -62.97 -43.12 99.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.78 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.71 -51.44 68.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.546 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -60.62 -37.43 81.43 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -175.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.6 t -89.2 -51.29 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -173.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -99.46 -24.82 14.65 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -167.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -128.54 -145.04 0.29 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -176.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.529 ' HB3' HD12 ' A' ' 26' ' ' LEU . 51.8 mttp -125.66 -85.47 0.63 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' A' ' 25' ' ' LYS . 7.2 mp -102.73 162.92 12.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.01 0.434 . . . . 0.0 110.875 -177.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.31 117.85 35.79 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.243 -176.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -93.0 107.09 18.95 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 177.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.59 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 39.9 t -102.01 113.68 39.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.939 0.399 . . . . 0.0 111.382 -175.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -90.89 115.85 28.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.793 174.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 76.1 m -117.57 113.56 22.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.171 0.51 . . . . 0.0 110.342 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -133.39 154.86 50.4 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.782 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.411 HG23 ' H ' ' A' ' 35' ' ' TRP . 11.4 t -106.06 173.2 6.42 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.136 173.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 m -73.0 -3.13 24.14 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -174.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.461 ' HB2' ' CD1' ' A' ' 84' ' ' TYR . 80.3 m95 -80.1 103.98 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.7 m 61.5 -175.23 0.13 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.262 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.94 64.84 0.56 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.277 -0.963 . . . . 0.0 113.16 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.19 -41.19 53.34 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.489 2.126 . . . . 0.0 112.163 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.52 ' HA ' HD12 ' A' ' 42' ' ' LEU . 37.6 t -63.93 -30.96 72.0 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.91 0.386 . . . . 0.0 110.49 179.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -69.65 -28.97 66.34 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.182 0.515 . . . . 0.0 110.608 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -75.24 -31.12 60.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.255 0.55 . . . . 0.0 109.852 176.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 39' ' ' CYS . 95.4 mt -63.12 -33.19 74.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.349 175.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.638 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 14.0 m -61.36 -33.28 73.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.781 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -68.44 -56.39 8.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.179 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.518 HG23 HG23 ' A' ' 46' ' ' VAL . 7.3 m -84.36 -45.73 17.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -172.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.518 HG23 HG23 ' A' ' 45' ' ' VAL . 59.4 t -80.67 -49.12 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.891 0.377 . . . . 0.0 111.629 -173.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.89 ' HB3' ' HA3' ' A' ' 5' ' ' GLY . 11.5 m-85 -71.25 -5.27 30.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.953 -173.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -75.3 -26.49 58.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.692 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -73.94 128.59 35.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.812 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.9 p -69.53 -46.82 65.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.253 -175.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.17 -42.24 89.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.768 -176.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.3 t -66.29 -32.81 59.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.416 177.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.97 -51.75 51.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.572 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -59.07 -39.35 81.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.655 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -59.97 -57.7 11.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.356 -177.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 60' ' ' PHE . 32.1 m-85 -71.27 -39.57 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -177.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.419 ' HA ' ' OD1' ' A' ' 62' ' ' ASN . 4.0 t-20 -68.85 -41.41 78.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.56 -175.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.5 ttp85 -88.86 -36.97 15.69 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -172.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -88.91 -19.27 26.02 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.421 -174.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.492 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 79.7 m-85 -130.14 158.51 39.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.82 0.343 . . . . 0.0 110.664 -176.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 64.9 t -89.93 116.52 31.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.419 ' OD1' ' HA ' ' A' ' 57' ' ' ASN . 8.5 m120 -81.43 100.74 9.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.991 0.424 . . . . 0.0 110.352 -176.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.44 HD11 ' O ' ' A' ' 11' ' ' LEU . 45.4 tp -105.53 128.87 53.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.417 -178.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -116.79 120.07 37.39 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.403 ' CE ' ' H ' ' A' ' 71' ' ' GLU . 13.4 ttt -142.45 150.31 40.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.217 0.532 . . . . 0.0 111.097 -177.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -88.81 156.47 18.94 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.629 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 57.7 mtt -85.78 2.72 44.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.256 0.551 . . . . 0.0 110.573 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -113.34 -40.36 3.9 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.366 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -90.82 134.28 34.56 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.326 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.78 -116.85 5.52 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.479 -0.782 . . . . 0.0 113.696 169.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.403 ' H ' ' CE ' ' A' ' 65' ' ' MET . 33.9 mt-10 -94.32 4.27 54.09 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 122.584 0.354 . . . . 0.0 111.104 -174.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 76' ' ' ARG . . . -57.33 -45.5 92.76 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.668 -178.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.93 -32.77 58.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.897 0.38 . . . . 0.0 111.31 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -68.47 -52.21 34.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.2 -178.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.559 ' HA ' ' HB3' ' A' ' 78' ' ' LYS . 79.0 mt -66.04 -30.74 71.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.319 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 24.7 ttt180 -54.37 -51.06 65.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.477 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -77.02 -29.53 55.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.242 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.559 ' HB3' ' HA ' ' A' ' 75' ' ' LEU . 14.9 tppt? -59.12 -50.67 73.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.899 0.38 . . . . 0.0 111.175 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.593 ' HD1' ' HD3' ' A' ' 99' ' ' ARG . 87.5 m-85 -96.04 -3.97 43.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.935 -175.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 64.37 33.89 88.44 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.556 177.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.467 HG11 HG21 ' A' ' 86' ' ' THR . 20.4 m -85.52 135.59 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 CA-C-O 121.187 0.517 . . . . 0.0 111.274 -176.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -126.08 7.47 7.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.622 176.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.75 -179.6 7.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.755 -177.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.861 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 54.1 m-85 -96.21 -55.66 0.21 Allowed Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.337 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.861 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 11.1 Cg_endo -95.19 114.86 0.17 Allowed 'Trans proline' 0 N--CA 1.449 -1.121 0 C-N-CA 122.652 2.235 . . . . 0.0 112.128 172.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.467 HG21 HG11 ' A' ' 81' ' ' VAL . 41.7 m -124.6 119.52 29.28 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.069 0.461 . . . . 0.0 110.49 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.502 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 3.2 mm? -100.0 119.47 38.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.151 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.59 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 97.5 mt -110.69 129.67 55.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.741 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.61 ' HE2' HD23 ' A' ' 100' ' ' LEU . 27.5 m-85 -112.71 106.3 14.64 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.544 HD12 HG21 ' A' ' 29' ' ' VAL . 63.0 mt -117.69 142.39 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.767 -168.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -87.66 -174.3 4.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.891 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.527 ' HA ' HD11 ' A' ' 17' ' ' LEU . 5.4 p -71.38 -26.9 62.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 112.066 -176.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.556 ' HB3' ' HG2' ' A' ' 95' ' ' GLU . 43.4 t -75.79 -18.64 59.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.129 0.49 . . . . 0.0 110.937 177.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.417 ' HA2' ' HZ ' ' A' ' 13' ' ' PHE . . . 98.17 14.05 40.34 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.583 -0.817 . . . . 0.0 111.758 -175.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.556 ' HG2' ' HB3' ' A' ' 93' ' ' SER . 9.1 mm-40 -92.54 139.32 30.7 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.8 p -89.82 133.49 31.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.775 0.322 . . . . 0.0 110.157 177.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 30.3 m -82.83 -30.38 8.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.908 0.385 . . . . 0.0 110.894 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -166.98 143.81 4.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.461 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.593 ' HD3' ' HD1' ' A' ' 79' ' ' TYR . 73.1 mtm180 -106.25 121.55 44.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.901 -178.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.724 HD21 ' HB3' ' A' ' 112' ' ' LYS . 0.2 OUTLIER -97.02 132.34 42.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.022 179.566 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 37.7 t -118.11 114.8 46.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.03 -158.17 32.85 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.521 -0.847 . . . . 0.0 111.229 -176.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -158.83 144.93 16.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.02 0.438 . . . . 0.0 111.447 -178.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -116.39 -175.22 2.71 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.635 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -65.87 169.04 7.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.702 -0.227 . . . . 0.0 110.825 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.568 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -49.67 -52.16 53.31 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 -172.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.568 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 33.3 Cg_exo -62.84 -38.84 45.59 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 121.986 1.791 . . . . 0.0 112.307 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.44 -31.66 62.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.232 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.4 tp -60.81 -52.37 65.35 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.213 0.53 . . . . 0.0 109.686 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.9 tp -63.87 -36.69 84.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.16 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -59.11 -47.92 83.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.179 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.724 ' HB3' HD21 ' A' ' 100' ' ' LEU . 30.1 mmmt -61.75 -49.11 77.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.807 -178.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 5.9 p -68.54 -43.6 83.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.113 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -63.81 -39.9 95.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.678 -177.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 115' ' ' LEU . 1.7 tm? -77.5 -31.27 53.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.282 -178.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -64.77 -37.89 94.9 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.139 -0.553 . . . . 0.0 113.209 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 12.4 p -107.05 -12.34 10.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.309 0.575 . . . . 0.0 110.252 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.205 -176.729 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.682 0 N-CA-C 112.409 -0.277 . . . . 0.0 112.409 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.579 HG12 ' HA ' ' A' ' 53' ' ' ALA . 77.1 mt -59.38 122.26 9.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.934 0.397 . . . . 0.0 111.077 177.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -117.59 121.26 40.47 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.806 175.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -80.12 123.56 27.99 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.544 ' NH2' HG13 ' A' ' 61' ' ' VAL . 35.6 mtm-85 -87.17 147.14 25.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.549 -172.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.431 ' HG2' ' HD3' ' A' ' 64' ' ' LYS . 39.5 mt-10 -101.05 105.02 16.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.884 0.373 . . . . 0.0 110.952 -175.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.6 mt -129.44 160.62 32.57 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.026 177.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.8 m -74.4 157.7 35.2 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 176.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.735 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 46.6 t80 -54.26 -56.24 28.44 Favored Pre-proline 0 CA--C 1.544 0.712 0 CA-C-O 119.441 -0.314 . . . . 0.0 111.823 -175.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.735 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 31.7 Cg_exo -58.36 -44.79 35.2 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 121.91 1.74 . . . . 0.0 112.512 174.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -58.11 -51.28 70.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.918 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.82 95.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.104 -176.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.497 HD11 ' HA ' ' A' ' 92' ' ' SER . 42.9 tp -59.84 -51.8 68.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.274 0.559 . . . . 0.0 110.166 178.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -58.6 -44.36 89.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.848 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.9 tpp85 -61.89 -49.01 77.91 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.163 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.512 ' HA ' HG21 ' A' ' 61' ' ' VAL . . . -60.48 -40.32 90.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 177.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -63.53 -38.42 91.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.56 -176.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.8 m -89.65 -40.73 13.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -172.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -100.79 -38.22 8.37 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.135 -0.626 . . . . 0.0 112.327 -173.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -117.97 -138.07 0.35 Allowed 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.443 -171.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -116.15 -66.35 1.09 Allowed 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.162 -168.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 tt -143.47 161.04 39.46 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.846 -171.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.2 tp -87.64 105.27 17.24 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.86 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.414 ' CZ ' HD22 ' A' ' 87' ' ' LEU . 66.0 t80 -104.42 114.99 29.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.079 0.466 . . . . 0.0 109.829 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.577 HG22 HD23 ' A' ' 63' ' ' LEU . 38.6 t -108.28 132.56 55.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.974 -175.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -109.56 120.15 41.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.005 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.588 ' HB2' ' HB ' ' A' ' 86' ' ' THR . 74.5 m -117.38 113.68 22.45 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 177.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.416 ' O ' ' HG2' ' A' ' 67' ' ' MET . 42.3 p90 -103.5 147.55 27.02 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.504 -179.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.7 m -99.25 146.17 26.49 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 175.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.29 -9.35 1.48 Allowed 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -171.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -62.95 -44.55 95.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.709 0.29 . . . . 0.0 111.166 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.8 m 57.73 28.55 16.02 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.689 177.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.91 -71.62 0.87 Allowed Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.446 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.495 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 47.1 Cg_exo -55.71 -36.76 95.57 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.017 2.478 . . . . 0.0 112.39 175.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.0 t -58.83 -28.77 66.36 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.053 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -63.64 -45.53 89.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.101 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.416 ' HA ' ' HE2' ' A' ' 44' ' ' LYS . 49.6 mtm180 -67.33 -37.15 82.83 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.055 0.455 . . . . 0.0 110.659 177.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 38' ' ' PRO . 79.3 mt -65.24 -35.84 82.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.794 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.7 m -62.44 -29.91 70.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.742 -177.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' A' ' 41' ' ' ARG . 49.8 mtmt -72.49 -50.43 26.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.938 0.399 . . . . 0.0 111.828 -176.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 46' ' ' VAL . 7.5 p -105.91 -52.52 7.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -173.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.473 HG21 HD22 ' A' ' 42' ' ' LEU . 55.5 t -59.17 -47.34 90.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.584 -175.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -82.71 24.83 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -176.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -134.31 -38.66 0.84 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -60.86 113.17 2.36 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.885 0.374 . . . . 0.0 111.049 -176.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.8 m -69.21 -31.03 69.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.104 -176.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.53 -46.54 79.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.015 0.436 . . . . 0.0 110.702 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.524 HG12 HD11 ' A' ' 6' ' ' ILE . 57.3 t -68.88 -33.97 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.379 176.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.579 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -57.46 -51.23 70.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.663 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.09 -43.25 95.98 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.014 0.435 . . . . 0.0 110.347 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -54.87 -56.39 20.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.338 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -67.27 -52.89 35.2 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -64.72 -30.87 71.9 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -170.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.422 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 7.1 tpm_? -88.41 -34.89 17.39 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.786 -176.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -88.88 -33.74 17.22 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.726 -174.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -125.44 157.79 36.02 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.544 HG13 ' NH2' ' A' ' 9' ' ' ARG . 91.6 t -89.86 120.83 39.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -86.22 120.92 28.11 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.374 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.577 HD23 HG22 ' A' ' 29' ' ' VAL . 64.7 tp -122.14 125.29 45.84 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.539 -176.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HD3' ' HG2' ' A' ' 10' ' ' GLU . 66.6 tttt -93.71 122.77 36.51 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.45 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 97.3 mmm -129.91 133.61 46.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.012 0.434 . . . . 0.0 110.67 176.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.546 ' HB3' ' HB3' ' A' ' 69' ' ' LYS . 8.6 t70 -91.63 155.51 18.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 177.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' A' ' 32' ' ' PHE . 20.6 mmt -70.06 -28.3 65.34 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.584 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -115.14 16.05 17.02 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.342 -177.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.546 ' HB3' ' HB3' ' A' ' 66' ' ' ASP . 17.9 tppt? -107.79 111.67 23.95 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.83 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.75 -117.68 9.25 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.62 -0.718 . . . . 0.0 113.301 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -72.37 -4.43 29.93 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 122.439 0.296 . . . . 0.0 111.594 -175.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -55.56 -42.57 84.6 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.899 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 28.6 m -67.07 -34.07 67.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.058 0.456 . . . . 0.0 110.756 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.39 -47.53 63.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.005 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.21 -43.94 97.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.949 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.482 ' HG3' ' CG1' ' A' ' 81' ' ' VAL . 17.9 ttp180 -59.79 -43.44 94.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.338 -178.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -76.14 -23.85 54.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.932 0.396 . . . . 0.0 110.569 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -71.65 -50.02 34.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.199 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.404 ' HE1' HG11 ' A' ' 96' ' ' VAL . 94.7 m-85 -90.94 -7.15 52.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.118 -176.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 57.72 46.41 92.27 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.168 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.487 HG21 ' OG1' ' A' ' 86' ' ' THR . 6.2 p -74.44 120.78 24.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.626 0.726 . . . . 0.0 111.221 -176.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -109.55 8.27 25.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.352 176.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.4 -179.53 4.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.893 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.804 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 33.9 m-85 -95.33 -55.74 0.22 Allowed Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.095 -177.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.804 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 3.4 Cg_endo -87.94 130.01 2.55 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 122.214 1.942 . . . . 0.0 111.156 174.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.588 ' HB ' ' HB2' ' A' ' 31' ' ' CYS . 3.9 m -127.63 105.43 8.47 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.714 -0.395 . . . . 0.0 110.873 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.737 HD12 HD23 ' A' ' 100' ' ' LEU . 79.0 mt -96.38 137.84 34.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 176.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.573 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 19.8 tp -134.98 128.57 32.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.111 -171.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.637 ' HZ ' HG13 ' A' ' 113' ' ' VAL . 73.9 m-85 -110.64 106.54 15.82 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.293 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 57.3 mt -113.17 132.35 62.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.612 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 34.4 p30 -79.21 171.85 14.61 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.497 ' HA ' HD11 ' A' ' 17' ' ' LEU . 19.3 m -73.38 -1.37 17.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 0.0 111.738 -177.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.9 t -87.25 -31.81 20.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.887 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.82 14.3 8.74 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.441 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -113.19 148.17 35.98 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.767 0.317 . . . . 0.0 110.475 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.404 HG11 ' HE1' ' A' ' 79' ' ' TYR . 7.7 p -86.57 129.82 37.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.284 0.564 . . . . 0.0 110.52 178.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.6 t -93.23 -42.72 13.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.288 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -143.99 137.77 27.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.707 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -118.98 135.52 54.57 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.737 HD23 HD12 ' A' ' 87' ' ' LEU . 55.4 tp -126.37 107.23 10.1 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.059 0.457 . . . . 0.0 110.599 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 15.1 m -102.29 122.54 54.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.057 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.1 150.52 26.85 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -175.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.421 ' HB1' HD13 ' A' ' 109' ' ' LEU . . . -153.28 141.77 20.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.817 0.342 . . . . 0.0 111.573 -176.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -101.31 -174.14 2.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.434 174.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -59.55 170.17 1.11 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.975 0.416 . . . . 0.0 111.899 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.595 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -46.02 -57.49 8.08 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -169.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.595 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 27.4 Cg_exo -62.21 -43.53 23.3 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 121.715 1.61 . . . . 0.0 112.536 -174.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -73.21 -32.9 65.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.788 -176.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.443 ' O ' HG23 ' A' ' 113' ' ' VAL . 54.2 tp -65.09 -51.25 62.45 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.179 174.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 55.4 tp -54.47 -46.21 73.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.683 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.58 -38.72 91.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.748 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.418 ' HD2' ' HA ' ' A' ' 112' ' ' LYS . 35.8 tptt -69.05 -38.78 79.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.711 -178.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.637 HG13 ' HZ ' ' A' ' 89' ' ' PHE . 93.2 t -63.95 -46.68 93.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.524 177.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -62.34 -42.85 99.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.64 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.9 tp -72.8 -11.01 60.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.112 0.482 . . . . 0.0 110.772 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -80.11 -22.23 63.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.098 -0.572 . . . . 0.0 111.987 176.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 43.9 t -109.63 -45.32 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.743 0.306 . . . . 0.0 110.367 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 . . . . . 0 C--O 1.235 0.298 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.548 -179.34 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.678 0 CA-C-O 120.822 0.124 . . . . 0.0 113.152 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.555 HG12 ' HA ' ' A' ' 53' ' ' ALA . 19.1 mt -68.72 114.48 5.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.885 0.374 . . . . 0.0 110.481 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -98.01 96.86 8.44 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.135 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.526 ' CB ' ' HB2' ' A' ' 64' ' ' LYS . 77.3 m-85 -71.28 112.32 7.32 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 175.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -68.06 133.37 48.87 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.076 -174.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.7 mp0 -81.39 94.13 6.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.623 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.558 ' HB2' HD13 ' A' ' 63' ' ' LEU . 83.7 mt -113.02 152.65 29.22 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.194 174.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.8 m -81.83 169.3 17.04 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.453 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 63.8 t80 -55.29 -54.52 49.79 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-O 119.573 -0.251 . . . . 0.0 110.96 178.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 20.5 Cg_endo -61.16 -39.65 57.19 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 121.915 1.743 . . . . 0.0 112.32 176.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -58.04 -54.22 49.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.006 0.432 . . . . 0.0 111.542 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.466 ' HB1' HD21 ' A' ' 27' ' ' LEU . . . -63.89 -41.33 97.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.946 -177.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.0 tp -63.35 -45.11 92.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.3 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -56.27 -50.52 71.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.837 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.418 ' HA ' ' HD3' ' A' ' 19' ' ' ARG . 23.7 mmt180 -63.13 -36.25 82.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.283 -178.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.594 ' HB1' ' HA ' ' A' ' 92' ' ' SER . . . -58.51 -51.25 70.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.059 0.457 . . . . 0.0 110.751 176.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.33 -51.24 66.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.511 -177.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.1 m -79.11 -32.01 14.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -170.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -100.04 -23.04 15.0 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.635 -174.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.6 t70 64.99 90.29 0.09 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.293 0.568 . . . . 0.0 111.89 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -176.49 121.76 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.608 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.591 HD22 ' HA ' ' A' ' 91' ' ' ASN . 72.8 mt -63.3 154.7 30.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.404 0.621 . . . . 0.0 112.014 -172.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.701 ' HG ' ' HB ' ' A' ' 61' ' ' VAL . 10.1 mp -101.22 143.78 30.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.662 -174.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.401 ' CZ ' HD22 ' A' ' 87' ' ' LEU . 60.0 t80 -122.12 107.57 12.34 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 168.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.729 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 23.7 t -104.27 127.52 58.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.264 -172.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -98.91 112.7 24.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.433 173.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.4 ' SG ' HG12 ' A' ' 29' ' ' VAL . 79.2 m -122.09 112.3 18.06 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.491 ' O ' ' HG2' ' A' ' 67' ' ' MET . 50.4 p90 -127.11 165.65 19.14 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.495 0.664 . . . . 0.0 111.478 -174.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.9 m -99.39 151.63 20.87 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.922 -1.035 . . . . 0.0 108.85 173.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.6 m -43.48 -44.5 5.96 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.141 0.496 . . . . 0.0 110.97 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -82.48 94.2 7.4 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 170.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.576 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 6.6 p -134.05 83.01 2.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.25 0.547 . . . . 0.0 110.939 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.27 -65.4 3.59 Favored Glycine 0 CA--C 1.517 0.208 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.936 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.509 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 9.7 Cg_endo -53.71 -36.82 83.08 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.915 2.41 . . . . 0.0 112.838 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.576 ' HB3' ' HB2' ' A' ' 36' ' ' CYS . 53.0 t -64.62 -50.39 67.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.679 0.276 . . . . 0.0 110.467 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 71.3 mmtt -66.49 -28.33 68.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.822 179.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -63.12 -47.25 83.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.447 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.539 HD21 ' HB1' ' A' ' 103' ' ' ALA . 4.2 pp -78.9 -20.07 50.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.2 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.711 ' O ' ' HB2' ' A' ' 47' ' ' PHE . 71.3 m -58.52 -29.94 66.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 111.63 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -78.91 -46.88 17.51 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.285 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.536 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 6.8 m -89.24 -40.79 13.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -173.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.8 t -78.89 -33.12 15.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 O-C-N 122.186 -0.321 . . . . 0.0 110.844 -177.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.711 ' HB2' ' O ' ' A' ' 43' ' ' SER . 10.2 m-85 -91.05 19.31 5.82 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -176.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -113.34 -11.52 13.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.247 0.546 . . . . 0.0 110.206 171.562 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -92.0 114.76 27.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.447 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.7 t -69.62 -32.01 70.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.209 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.48 -42.22 71.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.616 0.246 . . . . 0.0 111.405 -176.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 84.6 t -61.75 -44.13 98.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.03 0.443 . . . . 0.0 110.081 175.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.555 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -61.34 -48.31 81.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.936 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -57.14 -43.31 82.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.132 178.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -56.19 -47.23 78.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.236 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -74.7 -42.23 58.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.608 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.586 ' HA ' ' OD1' ' A' ' 62' ' ' ASN . 26.1 t-20 -61.97 -37.54 85.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.726 -175.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -83.76 -46.84 11.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.977 -176.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 -84.89 -17.63 37.3 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -170.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -137.56 169.44 17.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.996 0.426 . . . . 0.0 110.88 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.701 ' HB ' ' HG ' ' A' ' 27' ' ' LEU . 61.1 t -92.48 121.8 43.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 173.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.586 ' OD1' ' HA ' ' A' ' 57' ' ' ASN . 7.1 m120 -83.57 115.96 22.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.113 -178.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.558 HD13 ' HB2' ' A' ' 11' ' ' LEU . 45.8 tp -126.61 129.32 48.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.768 0.318 . . . . 0.0 111.274 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.526 ' HB2' ' CB ' ' A' ' 8' ' ' PHE . 61.0 tttm -114.06 127.82 56.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.062 175.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 30.9 ttm -143.15 122.85 13.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.102 0.477 . . . . 0.0 110.367 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.669 ' HB2' ' HG2' ' A' ' 69' ' ' LYS . 4.1 m-20 -93.96 155.44 17.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.132 -173.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.491 ' HG2' ' O ' ' A' ' 32' ' ' PHE . 22.9 mmt -77.91 4.38 12.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.761 -176.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -114.37 9.28 16.84 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.085 0.469 . . . . 0.0 110.333 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.669 ' HG2' ' HB2' ' A' ' 66' ' ' ASP . 69.4 mmtt -104.16 163.86 12.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.726 -178.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.25 -16.32 62.29 Favored Glycine 0 N--CA 1.453 -0.197 0 CA-C-N 115.931 -0.577 . . . . 0.0 114.07 -172.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -112.77 -6.44 13.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.289 0.545 . . . . 0.0 110.962 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.56 -46.26 32.82 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.819 -0.705 . . . . 0.0 113.344 -173.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.2 m -68.7 -19.66 24.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 121.034 -0.267 . . . . 0.0 111.076 -175.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -65.45 -52.01 56.08 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.261 0.553 . . . . 0.0 109.658 177.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 76.7 mt -67.08 -36.05 81.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.637 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.497 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 62.0 ttp180 -57.16 -50.44 72.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.222 -179.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -73.93 -27.98 61.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.129 0.49 . . . . 0.0 110.512 -177.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -73.64 -32.84 64.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.616 -175.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -115.54 16.06 16.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -173.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.12 28.11 70.81 Favored Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 120.926 -0.654 . . . . 0.0 113.173 174.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.539 HG22 HG21 ' A' ' 86' ' ' THR . 30.6 t -79.86 147.13 6.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -127.02 -72.07 0.66 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -175.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -153.76 32.22 0.45 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.082 0.467 . . . . 0.0 111.566 -174.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.676 ' HB3' ' HD2' ' A' ' 85' ' ' PRO . 98.6 m-85 -127.4 178.87 1.39 Allowed Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.625 -178.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.676 ' HD2' ' HB3' ' A' ' 84' ' ' TYR . 57.1 Cg_endo -76.59 130.62 11.84 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 121.725 1.617 . . . . 0.0 110.992 163.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.561 HG23 ' HA ' ' A' ' 101' ' ' VAL . 25.2 m -131.66 129.61 41.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.924 0.393 . . . . 0.0 110.937 -176.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.401 HD22 ' CZ ' ' A' ' 28' ' ' PHE . 60.0 mt -94.99 132.78 39.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.155 -176.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.729 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 94.9 mt -120.92 121.79 38.8 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.891 0.377 . . . . 0.0 111.249 -177.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -102.61 106.78 17.51 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.477 HD12 HG21 ' A' ' 29' ' ' VAL . 58.9 mt -114.14 143.27 24.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.027 0.441 . . . . 0.0 111.329 -172.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.591 ' HA ' HD22 ' A' ' 26' ' ' LEU . 92.2 m-20 -87.76 -167.96 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.876 177.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.594 ' HA ' ' HB1' ' A' ' 20' ' ' ALA . 6.8 m -72.87 -43.9 62.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.576 -177.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.4 m -92.7 28.24 2.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.882 0.372 . . . . 0.0 110.381 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 91' ' ' ASN . . . 84.96 -129.55 9.3 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -170.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 56.84 95.99 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 117.241 0.52 . . . . 0.0 111.918 172.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.7 m -66.41 114.15 3.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.242 0.544 . . . . 0.0 110.489 177.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.3 p -77.81 -29.27 15.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.28 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -150.11 141.78 23.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.901 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -123.64 143.81 50.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.039 0.447 . . . . 0.0 110.732 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.1 tt -152.69 108.38 3.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.759 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.561 ' HA ' HG23 ' A' ' 86' ' ' THR . 48.5 t -92.03 105.64 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.18 175.32 14.34 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.083 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.539 ' HB1' HD21 ' A' ' 42' ' ' LEU . . . -144.91 126.69 15.29 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.416 ' H ' HD13 ' A' ' 109' ' ' LEU . 3.9 mm-40 -99.01 169.07 9.69 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.487 -175.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.602 ' OD1' ' HD2' ' A' ' 107' ' ' PRO . 1.5 p30 -69.91 166.49 19.4 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 110.224 -0.288 . . . . 0.0 110.224 174.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.591 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -46.1 -54.74 15.83 Favored Pre-proline 0 CA--C 1.54 0.585 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -173.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.602 ' HD2' ' OD1' ' A' ' 105' ' ' ASP . 24.3 Cg_exo -63.44 -47.7 7.18 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 122.036 1.824 . . . . 0.0 112.474 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 112' ' ' LYS . 12.1 tp10 -68.96 -32.65 72.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.827 -176.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.416 HD13 ' H ' ' A' ' 104' ' ' GLU . 25.9 tp -67.16 -49.22 65.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.927 -179.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 44.2 tp -61.61 -37.84 85.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.428 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.484 ' HG3' HD23 ' A' ' 115' ' ' LEU . 23.7 ttmm -70.07 -35.07 73.95 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.908 176.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 108' ' ' GLU . 6.0 tppt? -63.47 -44.47 94.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.107 -178.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.2 p -72.75 -41.42 61.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.962 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -66.66 -54.68 20.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.605 0.24 . . . . 0.0 111.417 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.484 HD23 ' HG3' ' A' ' 111' ' ' LYS . 4.5 mm? -73.81 -7.43 52.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 111.462 -176.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -90.16 -15.97 56.57 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.348 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.57 -52.63 2.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-O 120.662 0.268 . . . . 0.0 111.209 -177.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 120.958 0.409 . . . . 0.0 110.59 -176.959 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 47' ' ' PHE . . . . . . . . 0 N--CA 1.444 -0.788 0 N-CA-C 111.564 -0.614 . . . . 0.0 111.564 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.561 HG12 ' HA ' ' A' ' 53' ' ' ALA . 29.9 mt -64.91 134.16 29.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.873 0.368 . . . . 0.0 110.52 176.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.87 95.28 8.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.761 -178.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.813 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 89.2 m-85 -82.06 139.16 34.62 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.204 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -119.52 136.79 54.19 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.77 96.19 6.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.481 0.658 . . . . 0.0 111.789 -177.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.423 HD12 ' HG2' ' A' ' 15' ' ' GLU . 3.3 mm? -112.07 167.52 10.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.54 175.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.8 t -70.59 162.02 29.66 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 171.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.64 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 79.3 t80 -59.53 -53.63 63.89 Favored Pre-proline 0 CA--C 1.538 0.488 0 CA-C-O 119.327 -0.368 . . . . 0.0 111.724 -176.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.64 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 52.7 Cg_exo -53.21 -44.88 45.22 Favored 'Trans proline' 0 C--N 1.359 1.098 0 C-N-CA 121.928 1.752 . . . . 0.0 112.181 174.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.645 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 14.6 tp10 -57.89 -55.02 40.29 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.842 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.6 -36.94 82.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.656 -177.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.6 tp -61.73 -49.77 75.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.441 0.639 . . . . 0.0 109.974 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -62.5 -43.44 98.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.922 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.645 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 12.9 mmt180 -57.83 -42.46 84.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.024 178.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.668 ' HA ' ' HB2' ' A' ' 24' ' ' ASP . . . -63.17 -45.63 90.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.4 ' OE1' ' HB3' ' A' ' 92' ' ' SER . 7.0 mm-40 -57.09 -37.34 71.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.835 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.7 t -87.81 -55.42 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -176.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -98.94 -33.69 10.75 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -169.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.668 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 15.8 m-20 -110.31 -150.15 0.45 Allowed 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.715 -172.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 50.0 tptt -129.59 -85.37 0.55 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.449 0.166 . . . . 0.0 110.593 178.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.537 ' HG ' ' HA ' ' A' ' 91' ' ' ASN . 8.8 mp -98.75 -176.6 3.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.593 0.235 . . . . 0.0 110.396 177.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.533 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 68.2 tp -110.95 119.81 40.29 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.902 0.382 . . . . 0.0 111.115 -175.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.476 ' HB2' ' CB ' ' A' ' 60' ' ' PHE . 89.1 t80 -98.66 107.38 19.82 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 175.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.579 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 39.3 t -95.0 105.0 16.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.749 -177.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -90.85 110.53 21.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.137 174.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 97.6 m -123.32 113.63 19.12 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.352 176.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.485 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 21.9 p90 -129.09 165.4 21.3 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.54 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.515 HG22 ' H ' ' A' ' 35' ' ' TRP . 28.2 m -99.36 147.82 24.82 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.091 177.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -57.66 -28.65 63.95 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.515 ' H ' HG22 ' A' ' 33' ' ' THR . 84.3 t90 -57.53 111.13 1.02 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.489 171.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.448 ' HB3' ' HE3' ' A' ' 40' ' ' LYS . 91.3 m -79.51 99.34 7.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.234 0.54 . . . . 0.0 111.537 -174.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.8 -116.34 1.86 Allowed Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.367 175.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.466 ' HB2' ' HG3' ' A' ' 85' ' ' PRO . 32.0 Cg_exo -60.43 -28.33 86.54 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 123.023 2.482 . . . . 0.0 112.512 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.7 p -59.19 -35.57 73.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.7 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.448 ' HE3' ' HB3' ' A' ' 36' ' ' CYS . 40.9 ttmt -69.85 -45.53 67.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.741 0.305 . . . . 0.0 110.684 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -66.66 -35.44 80.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.03 0.443 . . . . 0.0 110.217 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.432 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 63.4 tp -60.94 -46.86 88.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.658 177.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.1 t -75.66 -39.56 57.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 -176.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 17.6 tppt? -79.58 -42.44 25.0 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -174.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.6 t -94.63 -50.36 11.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -173.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.442 HG13 ' HA ' ' A' ' 106' ' ' ALA . 49.1 t -72.76 -52.31 23.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 111.531 -174.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.438 ' O ' ' HA2' ' A' ' 5' ' ' GLY . 22.6 m-85 -82.21 16.02 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.38 -0.373 . . . . 0.0 112.001 -174.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 52.8 tttp -83.89 -31.46 25.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.921 0.391 . . . . 0.0 110.853 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -69.72 139.0 53.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.496 -174.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.9 p -69.08 -37.33 78.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.749 -176.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.49 -41.75 75.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.329 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.0 t -63.89 -44.72 98.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.121 174.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.561 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -56.85 -50.14 73.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.43 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -68.08 -35.48 78.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.431 -177.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -57.89 -51.8 68.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.103 0.478 . . . . 0.0 110.528 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -72.94 -29.88 63.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -70.08 -38.49 75.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.992 0.425 . . . . 0.0 111.493 -178.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -83.73 -40.48 18.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.803 0.335 . . . . 0.0 111.407 -175.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -80.22 -28.01 38.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.41 -174.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.476 ' CB ' ' HB2' ' A' ' 28' ' ' PHE . 78.2 m-85 -136.94 153.95 50.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.236 -177.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.423 HG13 HD12 ' A' ' 27' ' ' LEU . 5.4 p -81.24 127.78 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 168.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -80.18 95.7 6.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.366 -176.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 56.0 tp -104.79 125.5 50.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.593 -178.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.813 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 89.2 tttt -108.2 134.72 50.66 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.241 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.4 mmt -132.03 159.25 39.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.028 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -102.99 157.05 17.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 172.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 41.1 mtt -96.87 -8.84 29.88 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 120.834 0.349 . . . . 0.0 111.351 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -115.0 -40.67 3.45 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.444 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -93.28 117.32 29.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.307 -175.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.97 -116.33 4.64 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.029 -0.605 . . . . 0.0 113.302 172.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -85.98 6.65 27.69 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.345 0.258 . . . . 0.0 111.225 -174.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.26 -57.0 22.02 Favored Glycine 0 N--CA 1.453 -0.172 0 CA-C-N 116.259 -0.428 . . . . 0.0 113.761 -172.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 28.0 m -60.21 -32.67 51.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.806 0.336 . . . . 0.0 111.171 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 44.6 mt-10 -75.35 -46.87 30.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.266 -178.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.42 -36.65 84.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.882 0.372 . . . . 0.0 110.609 178.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.688 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 53.4 ttp180 -62.16 -36.99 83.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.183 177.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -76.68 -26.76 55.12 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.465 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 67.8 mmtt -69.47 -49.52 54.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.812 -178.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -100.8 2.63 41.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.513 -173.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.43 44.05 91.2 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.434 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.688 ' HB ' ' HG3' ' A' ' 76' ' ' ARG . 58.5 t -76.33 125.8 36.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.721 0.296 . . . . 0.0 110.84 -176.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -127.41 12.75 7.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.321 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.03 177.68 5.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.148 -177.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.714 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 77.6 m-85 -92.3 -51.82 0.28 Allowed Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.714 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 58.4 Cg_endo -94.6 110.04 0.15 Allowed 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.397 2.065 . . . . 0.0 112.03 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.8 m -128.0 136.25 51.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.827 0.346 . . . . 0.0 111.071 -175.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.416 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 5.8 mp -125.92 121.9 34.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.299 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.579 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 3.2 mm? -116.54 125.75 52.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.008 0.433 . . . . 0.0 111.055 178.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -101.68 108.27 19.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.43 176.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.533 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 48.8 mm -110.41 141.25 26.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.723 -174.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.537 ' HA ' ' HG ' ' A' ' 26' ' ' LEU . 16.3 t-20 -74.52 172.0 12.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.089 0.471 . . . . 0.0 110.042 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.4 ' HB3' ' OE1' ' A' ' 21' ' ' GLU . 4.6 m -72.6 -15.91 61.73 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.501 -177.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.503 ' HB2' ' HG2' ' A' ' 95' ' ' GLU . 3.9 m -93.56 6.45 48.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.618 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.04 26.38 62.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.939 -176.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.503 ' HG2' ' HB2' ' A' ' 93' ' ' SER . 23.2 mm-40 -97.15 147.73 23.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.527 -0.336 . . . . 0.0 111.018 -176.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 65.4 t -81.78 108.56 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.971 0.415 . . . . 0.0 110.579 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 64.1 t -86.71 -56.84 4.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -178.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -153.57 127.54 8.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.908 -177.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.441 ' HA ' HD13 ' A' ' 88' ' ' LEU . 17.0 ptp180 -95.78 145.18 25.53 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.416 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 25.3 tp -136.23 107.65 6.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.139 0.495 . . . . 0.0 110.639 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 62.9 t -101.15 107.98 22.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.514 177.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.86 144.66 16.97 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -175.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -122.03 136.78 54.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.081 0.467 . . . . 0.0 111.412 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -96.35 -175.88 3.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.776 176.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -71.49 168.92 16.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.561 0.219 . . . . 0.0 111.027 179.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.549 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -46.81 -53.52 25.46 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -171.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.549 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 36.4 Cg_exo -59.9 -50.23 8.15 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 121.927 1.752 . . . . 0.0 112.777 -177.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -74.19 -26.36 60.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.7 -175.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.5 tp -66.6 -49.4 66.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.366 0.603 . . . . 0.0 109.787 174.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 54.3 tp -58.32 -34.66 70.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.686 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -67.69 -44.24 78.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.645 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -65.85 -42.22 90.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.096 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.1 -40.06 86.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.49 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -66.07 -45.48 81.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.01 0.433 . . . . 0.0 110.4 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.3 tp -63.98 -30.7 71.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.343 -177.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.41 -45.2 24.9 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.618 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 48.8 t -75.29 -43.28 43.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.62 0.247 . . . . 0.0 110.853 -177.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 . . . . . 0 C--N 1.328 -0.342 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.387 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.504 0 N-CA-C 112.091 -0.404 . . . . 0.0 112.091 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.419 ' H ' ' HB3' ' A' ' 47' ' ' PHE . 60.0 mt -65.89 116.87 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.911 0.386 . . . . 0.0 110.459 178.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.39 92.23 8.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.022 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 62' ' ' ASN . 96.3 m-85 -71.61 137.89 48.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.94 177.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.411 ' O ' HD12 ' A' ' 63' ' ' LEU . 51.9 mtt180 -77.09 156.28 31.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.805 -177.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -125.05 94.6 4.22 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 177.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.413 ' H ' HD11 ' A' ' 63' ' ' LEU . 50.7 mt -145.39 167.17 23.58 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.165 -176.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.499 ' HB2' ' HG2' ' A' ' 15' ' ' GLU . 14.7 m -65.22 147.71 52.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 174.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.654 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 65.8 t80 -58.03 -52.71 72.48 Favored Pre-proline 0 CA--C 1.541 0.616 0 CA-C-O 119.4 -0.333 . . . . 0.0 111.873 -177.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.654 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 77.0 Cg_exo -51.04 -43.65 46.79 Favored 'Trans proline' 0 C--N 1.362 1.238 0 C-N-CA 122.333 2.022 . . . . 0.0 112.552 174.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.499 ' HG2' ' HB2' ' A' ' 12' ' ' SER . 40.2 mm-40 -59.63 -50.61 73.21 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.988 178.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.5 -36.72 84.7 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.082 -177.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.2 tp -61.14 -47.2 87.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.545 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -56.19 -51.5 67.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.132 178.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -61.31 -37.9 84.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.128 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.08 -35.78 79.69 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.222 178.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -69.4 -41.42 76.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.871 0.367 . . . . 0.0 111.188 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.2 t -83.98 -48.93 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.98 -174.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -84.0 -32.18 25.08 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -172.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.664 ' OD2' ' HA ' ' A' ' 60' ' ' PHE . 11.7 t70 -135.5 -132.61 0.15 Allowed 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.551 -171.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.643 ' HG3' ' HG ' ' A' ' 26' ' ' LEU . 4.2 ptpt -151.1 -40.25 0.12 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.592 -171.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.643 ' HG ' ' HG3' ' A' ' 25' ' ' LYS . 96.0 mt -135.64 141.62 45.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.056 0.455 . . . . 0.0 110.801 -176.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.58 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 52.6 tp -95.57 115.5 27.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.979 178.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -90.98 107.98 19.55 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.568 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.891 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 38.3 t -99.22 123.1 51.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.948 0.404 . . . . 0.0 111.0 -176.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -99.68 105.03 16.81 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.208 176.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.2 m -110.3 142.44 41.93 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.289 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -152.91 167.0 30.56 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.466 -178.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.5 p -98.98 154.97 17.67 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.016 174.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.5 m -73.33 -16.18 61.37 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.203 0.525 . . . . 0.0 109.883 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -61.8 108.86 1.08 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.326 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 66.1 m 59.7 -159.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.527 0.517 . . . . 0.0 110.249 -178.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.07 75.46 0.41 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.314 -0.946 . . . . 0.0 112.246 175.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.55 -46.33 5.54 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.56 2.174 . . . . 0.0 111.984 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.6 t -81.12 -36.37 30.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.112 0.482 . . . . 0.0 109.732 176.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -60.24 -24.48 64.9 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.037 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -57.73 -47.24 83.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.056 175.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.1 mp -72.35 -31.55 65.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.499 -177.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.436 ' HA ' ' HB2' ' A' ' 47' ' ' PHE . 11.2 m -58.4 -29.78 66.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.121 0.486 . . . . 0.0 110.837 177.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.421 ' NZ ' ' HB2' ' A' ' 44' ' ' LYS . 4.2 ttmp? -69.56 -58.99 3.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.512 -177.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.5 t -110.78 -53.11 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -177.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 73.6 t -55.96 -49.98 72.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -173.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.436 ' HB2' ' HA ' ' A' ' 43' ' ' SER . 19.5 m-30 -73.37 1.81 8.89 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -175.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.439 ' NZ ' ' HB3' ' A' ' 48' ' ' LYS . 4.4 mmmp? -92.33 -11.12 35.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.706 0.288 . . . . 0.0 110.584 176.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -65.61 126.09 27.26 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.2 m -69.26 -35.38 76.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.645 -173.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.3 mt -69.21 -52.44 27.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.753 0.311 . . . . 0.0 111.228 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.57 HG21 ' HB1' ' A' ' 106' ' ' ALA . 78.2 t -62.91 -44.48 99.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.188 -178.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.93 -48.93 79.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.998 0.428 . . . . 0.0 110.375 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.53 -36.75 79.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.173 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -65.49 -59.27 4.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.108 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -64.51 -30.96 71.99 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -177.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -72.23 -44.47 62.86 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.7 ttp-105 -89.44 -34.96 16.27 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -175.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.478 ' O ' ' HE3' ' A' ' 25' ' ' LYS . 86.0 m-70 -88.83 -12.55 41.62 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -173.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.664 ' HA ' ' OD2' ' A' ' 24' ' ' ASP . 85.3 m-85 -148.14 176.1 10.49 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.451 HG23 ' CB ' ' A' ' 24' ' ' ASP . 82.1 t -111.59 117.55 55.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 171.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.431 ' HB2' ' CD1' ' A' ' 8' ' ' PHE . 4.3 p30 -97.18 132.71 42.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.458 0.647 . . . . 0.0 111.556 -177.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.413 HD11 ' H ' ' A' ' 11' ' ' LEU . 15.1 tp -136.29 129.61 31.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.709 -177.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.481 ' HD3' ' O ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -96.45 150.75 20.26 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.548 178.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 53.4 ttm -148.93 128.12 12.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.823 0.344 . . . . 0.0 110.842 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -70.81 155.71 40.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.712 173.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 43.1 ttm -94.01 -8.34 40.21 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.2 0.524 . . . . 0.0 110.706 -177.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -114.88 15.49 17.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.218 0.533 . . . . 0.0 110.361 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -149.76 151.82 34.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.328 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.01 46.68 90.72 Favored Glycine 0 CA--C 1.517 0.217 0 O-C-N 123.426 0.454 . . . . 0.0 113.826 172.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 67.84 15.61 9.61 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 122.751 0.42 . . . . 0.0 112.05 176.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.99 -32.72 81.21 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.152 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.77 -32.91 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.943 0.401 . . . . 0.0 110.487 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -67.86 -43.24 79.91 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.508 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 78.8 mt -66.49 -33.95 76.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.568 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -55.18 -50.11 70.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.514 176.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -74.16 -32.08 62.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.996 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -61.79 -49.16 77.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.271 -176.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -96.0 -4.19 43.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.402 -176.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.74 51.61 55.75 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.269 -0.491 . . . . 0.0 112.223 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.9 p -70.82 134.3 30.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.101 0.477 . . . . 0.0 111.368 -176.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -110.37 -6.92 14.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.847 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -110.17 -176.32 2.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.007 -176.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.564 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 94.0 m-85 -92.75 -47.0 0.31 Allowed Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -177.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.564 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 95.5 Cg_endo -92.56 147.32 2.76 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 121.871 1.714 . . . . 0.0 112.117 174.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.6 m -151.66 128.29 10.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.733 0.302 . . . . 0.0 111.067 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.696 HD12 HD23 ' A' ' 100' ' ' LEU . 86.4 mt -109.08 130.54 55.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.976 0.417 . . . . 0.0 109.893 176.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.891 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 3.1 mm? -116.83 139.72 50.28 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.819 -175.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -114.9 106.14 13.82 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 176.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.58 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 46.2 mm -102.35 136.33 35.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.894 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.465 HD21 ' HG3' ' A' ' 95' ' ' GLU . 33.9 p30 -91.1 178.81 5.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.976 0.417 . . . . 0.0 110.951 -178.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 t -75.87 -13.94 60.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 -175.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.8 t -74.06 -21.36 59.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.44 177.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 97.19 29.9 7.7 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.149 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.465 ' HG3' HD21 ' A' ' 91' ' ' ASN . 8.6 pt-20 -142.59 167.34 22.33 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.6 p -84.84 137.16 21.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.254 0.55 . . . . 0.0 111.012 -176.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 12.9 p -95.69 -31.77 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.819 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -166.16 150.5 7.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.647 ' HD3' ' H ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -121.63 134.25 54.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 177.596 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.696 HD23 HD12 ' A' ' 87' ' ' LEU . 32.9 tp -111.2 114.21 27.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.387 -177.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 44.6 t -102.08 101.19 11.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.916 0.389 . . . . 0.0 110.065 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.56 135.06 8.61 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.923 -0.655 . . . . 0.0 111.691 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -127.05 141.89 51.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.937 0.399 . . . . 0.0 110.757 -176.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -100.58 -175.61 2.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.373 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -60.52 169.56 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.436 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.595 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -48.46 -55.42 19.24 Favored Pre-proline 0 CA--C 1.542 0.637 0 N-CA-C 113.372 0.878 . . . . 0.0 113.372 -173.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.595 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 24.1 Cg_exo -63.7 -46.27 9.34 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 121.872 1.715 . . . . 0.0 112.474 -178.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -67.92 -29.5 68.6 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.046 -177.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.7 tp -58.94 -55.84 29.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.92 0.391 . . . . 0.0 110.973 178.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 107' ' ' PRO . 3.1 pp -64.7 -31.17 72.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.289 -176.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -68.93 -51.23 42.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.236 0.541 . . . . 0.0 110.063 175.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -59.26 -38.78 80.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.677 -176.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.477 ' O ' HG22 ' A' ' 117' ' ' VAL . 12.2 p -70.61 -40.39 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.861 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -61.67 -49.19 77.51 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 120.804 0.335 . . . . 0.0 111.446 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.78 -24.8 59.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.022 0.439 . . . . 0.0 110.873 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -70.91 -50.08 25.41 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.629 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 113' ' ' VAL . 30.8 m -84.43 2.81 3.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.943 0.401 . . . . 0.0 110.914 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--O 1.233 0.197 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.395 177.914 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.491 ' HA2' ' O ' ' A' ' 47' ' ' PHE . . . . . . . . 0 N--CA 1.445 -0.734 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.581 HG23 ' HB1' ' A' ' 53' ' ' ALA . 9.9 pt -58.91 148.01 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.035 0.445 . . . . 0.0 111.942 -177.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -103.87 123.15 46.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.974 -170.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.708 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 90.3 m-85 -67.49 103.36 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.768 172.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -82.76 141.77 32.11 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -106.62 121.25 43.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.111 -169.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 44.0 mt -137.91 161.11 37.51 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.728 175.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.6 t -76.27 165.76 24.42 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.091 177.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.502 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 74.4 t80 -55.02 -53.02 66.12 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.055 -177.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 11.3 Cg_endo -55.41 -34.44 89.09 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.237 1.958 . . . . 0.0 112.769 178.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 19' ' ' ARG . 16.7 mm-40 -70.29 -53.68 15.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.87 178.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.89 -38.41 88.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.085 -177.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.0 tp -57.14 -54.01 51.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.534 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -64.86 -41.37 95.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.79 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -57.79 -45.91 85.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.685 -178.459 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.63 -31.14 67.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.917 0.389 . . . . 0.0 110.769 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -70.47 -46.16 64.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.631 -178.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.9 m -77.89 -31.11 16.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -174.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -90.9 -18.69 24.33 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.654 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.3 t70 55.53 76.95 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.731 0.777 . . . . 0.0 110.541 -175.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -142.35 151.79 42.26 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.412 177.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.12 112.43 9.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.291 0.567 . . . . 0.0 109.958 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.3 tp -75.11 128.27 35.13 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.493 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -113.59 104.31 12.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.574 176.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.705 HG22 HD23 ' A' ' 63' ' ' LEU . 56.1 t -98.67 117.62 43.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.429 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -79.77 99.02 7.27 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 173.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.624 ' HB3' ' SD ' ' A' ' 67' ' ' MET . 86.6 m -97.31 111.56 23.75 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 174.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -120.49 160.08 23.87 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.034 -172.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.736 ' HB ' ' CE3' ' A' ' 35' ' ' TRP . 17.5 p -100.72 148.58 24.73 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 167.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.7 t -76.77 11.1 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.847 0.356 . . . . 0.0 111.521 -174.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.736 ' CE3' ' HB ' ' A' ' 33' ' ' THR . 1.1 m-90 -66.02 83.08 0.08 Allowed 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 173.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 64.2 m 70.87 -52.58 0.68 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.837 0.855 . . . . 0.0 111.516 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.39 82.7 1.09 Allowed Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.404 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 32.5 Cg_exo -58.38 -38.39 90.63 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.82 2.347 . . . . 0.0 112.424 -176.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.7 p -67.56 -20.15 65.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.701 -178.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -65.16 -54.02 36.12 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.942 0.401 . . . . 0.0 110.144 176.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 41' ' ' ARG . 20.5 ttt180 -63.33 -37.95 89.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.391 179.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.612 ' O ' HG22 ' A' ' 46' ' ' VAL . 95.6 mt -62.36 -46.52 88.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.755 177.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.4 t -53.17 -34.21 55.94 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 122.699 0.4 . . . . 0.0 111.572 -176.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.85 -35.63 81.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.993 -177.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 51.4 t -108.69 -46.81 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -172.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 42' ' ' LEU . 16.6 m -77.14 -21.93 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -170.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.491 ' O ' ' HA2' ' A' ' 5' ' ' GLY . 28.1 m-85 -113.92 24.67 11.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.855 0.36 . . . . 0.0 111.276 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -88.84 -30.52 18.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.94 -175.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -72.0 135.09 46.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.968 -177.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.9 t -68.24 -41.71 80.79 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.557 -175.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.2 mt -68.9 -49.55 57.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.748 0.308 . . . . 0.0 110.822 -177.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 96.3 t -59.79 -45.24 94.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.704 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.581 ' HB1' HG23 ' A' ' 6' ' ' ILE . . . -57.58 -50.83 71.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.812 -176.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -63.99 -50.86 66.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.449 -177.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -61.9 -46.41 89.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.976 -177.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -67.91 -51.55 46.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.249 -175.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.554 ' HB2' HG21 ' A' ' 6' ' ' ILE . 12.6 t30 -68.8 -30.81 69.46 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -171.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.454 HH11 ' HD2' ' A' ' 58' ' ' ARG . 45.1 mtm180 -86.75 -24.81 24.98 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.281 -0.568 . . . . 0.0 112.384 -177.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -91.98 -39.36 11.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.909 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -110.37 117.35 33.39 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.6 t -73.38 115.99 15.06 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.414 -175.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.75 110.17 16.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.167 0.508 . . . . 0.0 110.291 -179.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.705 HD23 HG22 ' A' ' 29' ' ' VAL . 52.7 tp -114.7 142.81 46.0 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.66 178.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.708 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 29.6 ttmt -116.05 121.01 40.94 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 84.1 mtp -138.75 150.78 46.49 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.798 0.332 . . . . 0.0 110.444 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -90.86 158.92 16.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.307 0.575 . . . . 0.0 110.629 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.624 ' SD ' ' HB3' ' A' ' 31' ' ' CYS . 53.1 mtm -115.01 5.17 14.91 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.582 178.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -114.34 -40.28 3.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.627 175.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -118.87 150.51 39.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.171 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 74.41 54.3 6.22 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.94 -0.648 . . . . 0.0 113.133 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 64.89 21.03 12.27 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.062 0.458 . . . . 0.0 111.221 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.51 -32.31 71.37 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.679 -177.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 29.6 m -59.66 -33.75 52.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.755 0.312 . . . . 0.0 111.25 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -67.04 -44.64 79.66 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 178.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.4 -47.32 86.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.66 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.4 ' HA ' ' CG2' ' A' ' 81' ' ' VAL . 53.4 ttp180 -54.68 -47.96 72.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.625 -177.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -76.48 -30.86 57.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.691 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -71.39 -41.33 69.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.275 -173.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.561 ' HA ' ' NH1' ' A' ' 99' ' ' ARG . 50.1 m-85 -102.35 6.32 40.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.528 -174.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 61.21 58.26 14.35 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.606 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.609 HG21 ' SD ' ' A' ' 67' ' ' MET . 67.3 t -73.67 117.86 18.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.122 0.486 . . . . 0.0 110.893 -178.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -134.99 35.09 3.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.963 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -149.76 -177.1 5.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.012 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.888 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 63.8 m-85 -92.16 -56.17 0.25 Allowed Pre-proline 0 C--N 1.327 -0.411 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.662 176.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.888 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 8.8 Cg_endo -90.96 118.29 0.58 Allowed 'Trans proline' 0 N--CA 1.449 -1.1 0 C-N-CA 122.369 2.046 . . . . 0.0 111.252 170.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.575 ' HB ' ' HB2' ' A' ' 31' ' ' CYS . 6.5 m -116.14 121.14 41.26 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.887 0.375 . . . . 0.0 110.528 -178.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.683 HD11 ' HB2' ' A' ' 103' ' ' ALA . 5.9 mp -97.93 108.99 21.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.192 -175.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.583 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 3.9 mm? -95.79 130.62 42.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.157 0.503 . . . . 0.0 111.254 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -120.35 105.02 10.5 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.731 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.7 mp -118.08 140.08 42.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.49 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -82.83 172.02 13.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.575 -178.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.2 m -62.48 -18.91 62.9 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.941 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.4 m -89.07 2.5 53.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.227 -178.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 82.47 0.72 90.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.368 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -91.88 159.82 15.59 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.3 m -90.91 137.05 22.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.152 0.501 . . . . 0.0 110.758 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 42.9 t -96.42 -55.33 6.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.914 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -141.52 144.01 34.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.686 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.561 ' NH1' ' HA ' ' A' ' 79' ' ' TYR . 47.2 mtt180 -108.91 141.02 41.59 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 177.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.476 HD23 HD22 ' A' ' 87' ' ' LEU . 45.0 tp -152.46 111.23 3.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.159 0.504 . . . . 0.0 111.862 -175.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.517 HG12 HG23 ' A' ' 86' ' ' THR . 25.1 m -101.15 128.35 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.793 172.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.72 135.71 8.99 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.537 -176.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.683 ' HB2' HD11 ' A' ' 87' ' ' LEU . . . -118.67 143.23 46.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.901 0.381 . . . . 0.0 111.473 -174.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.496 ' HB3' ' HB2' ' A' ' 108' ' ' GLU . 70.3 mm-40 -105.1 -175.34 2.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.294 176.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.451 ' HA ' HG12 ' A' ' 46' ' ' VAL . 1.2 p-10 -75.9 173.36 11.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.8 175.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.528 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -51.56 -50.87 74.45 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -172.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 43.3 Cg_exo -58.2 -46.41 25.37 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.857 1.704 . . . . 0.0 112.473 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 104' ' ' GLU . 31.0 mm-40 -71.91 -27.9 63.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.082 -179.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 45.0 tp -60.08 -57.56 12.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.036 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.405 ' HA ' HG22 ' A' ' 113' ' ' VAL . 93.7 mt -60.92 -31.77 71.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.578 178.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.459 ' O ' ' HG ' ' A' ' 115' ' ' LEU . 23.1 tptm -62.37 -52.05 65.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.414 177.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -69.54 -37.77 77.22 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -175.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.405 HG22 ' HA ' ' A' ' 110' ' ' LEU . 35.5 m -64.36 -39.75 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.223 0 CA-C-N 118.096 0.407 . . . . 0.0 111.173 -179.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -67.61 -34.47 77.06 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.268 176.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 97.4 mt -73.48 -33.27 64.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.052 0.454 . . . . 0.0 110.768 178.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -69.24 -42.04 76.96 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.859 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 32.4 m -90.27 -19.36 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 122.721 -0.282 . . . . 0.0 111.015 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 C--O 1.234 0.256 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.365 -174.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.053 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.0 mt -80.96 115.62 23.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.82 118.63 30.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.669 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.636 ' HE2' ' HE2' ' A' ' 47' ' ' PHE . 96.6 m-85 -91.34 141.34 28.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.549 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.599 ' HG2' ' O ' ' A' ' 62' ' ' ASN . 19.4 ptp180 -103.69 121.03 42.12 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.151 0.501 . . . . 0.0 109.666 177.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -87.56 101.82 13.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.177 0.513 . . . . 0.0 111.03 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.8 mt -125.33 165.24 18.72 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.385 174.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.427 ' HB2' ' HG2' ' A' ' 15' ' ' GLU . 3.0 m -67.31 154.61 40.91 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 173.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.445 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 89.8 t80 -53.86 -54.56 45.29 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-O 119.694 -0.193 . . . . 0.0 111.357 -178.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 19.5 Cg_endo -59.7 -38.17 82.76 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 121.96 1.773 . . . . 0.0 112.526 176.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.427 ' HG2' ' HB2' ' A' ' 12' ' ' SER . 55.3 mm-40 -60.14 -51.55 69.12 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.091 0.472 . . . . 0.0 111.066 178.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HB2' HD13 ' A' ' 63' ' ' LEU . . . -68.61 -35.0 76.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.93 -177.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.5 tp -63.45 -41.38 98.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.455 0.645 . . . . 0.0 109.448 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -60.56 -45.59 93.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.406 176.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -58.71 -41.74 87.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.919 175.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.66 -32.93 73.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.053 0.454 . . . . 0.0 110.936 177.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -67.65 -50.07 59.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.1 t -73.88 -43.41 52.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.722 -174.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -78.5 -17.73 55.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.936 -178.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.2 t70 67.35 21.23 9.84 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.505 0.669 . . . . 0.0 111.306 173.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -109.57 165.21 11.84 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.055 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.414 HD12 ' HE1' ' A' ' 60' ' ' PHE . 91.3 mt -74.9 143.11 43.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.677 -177.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.624 ' HB3' HG23 ' A' ' 90' ' ' ILE . 60.4 tp -90.58 113.97 26.11 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.776 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -90.94 106.0 18.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.326 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.657 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 39.5 t -93.3 110.43 23.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 120.929 0.395 . . . . 0.0 110.81 -176.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -91.06 107.87 19.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.09 176.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.9 m -116.59 113.51 22.82 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.105 176.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -129.93 155.42 46.09 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.075 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.06 157.66 16.59 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 176.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.8 p -57.48 -28.43 63.38 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -176.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 13.7 m-90 -67.97 102.63 1.32 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.958 0.408 . . . . 0.0 109.933 175.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.7 m -90.65 110.64 21.8 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -176.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.15 -94.83 0.72 Allowed Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.726 178.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.575 ' HG2' ' HG3' ' A' ' 85' ' ' PRO . 13.0 Cg_endo -57.82 -28.35 81.98 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 123.003 2.469 . . . . 0.0 112.499 177.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.6 t -64.68 -27.37 68.87 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.554 178.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -70.22 -42.15 72.67 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -60.16 -45.59 92.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.245 0.545 . . . . 0.0 109.682 176.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.579 HD13 ' HB1' ' A' ' 103' ' ' ALA . 45.7 tp -56.98 -51.98 67.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.928 178.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.69 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 21.1 m -66.57 -31.14 71.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.416 -177.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -66.32 -36.62 83.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.51 -176.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.575 HG13 HG23 ' A' ' 46' ' ' VAL . 13.1 p -105.31 -45.55 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -173.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.575 HG23 HG13 ' A' ' 45' ' ' VAL . 61.7 t -79.17 -43.16 24.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.072 -175.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.69 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 8.2 m-85 -80.28 38.73 0.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -171.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -134.42 -10.63 2.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.079 0.466 . . . . 0.0 110.555 173.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.438 ' OD1' ' HG ' ' A' ' 51' ' ' LEU . 12.1 t70 -85.41 131.86 34.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.921 -175.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.1 t -70.92 -55.53 8.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.8 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.517 HD23 ' H ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -70.87 -39.32 72.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.806 -170.585 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 82.3 t -63.15 -45.45 98.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.856 0.36 . . . . 0.0 110.291 177.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.37 -45.93 88.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -59.68 -44.42 93.64 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.642 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -55.32 -50.44 69.6 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.048 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -68.19 -49.16 62.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.12 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.525 ' HA ' ' ND2' ' A' ' 62' ' ' ASN . 64.7 t30 -62.03 -30.07 70.71 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.838 0.351 . . . . 0.0 111.533 -175.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -80.98 -46.19 15.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.698 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -87.2 -21.98 25.55 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -173.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.414 ' HE1' HD12 ' A' ' 26' ' ' LEU . 41.8 m-85 -128.13 134.55 49.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.525 HG23 HD12 ' A' ' 27' ' ' LEU . 3.8 m -83.57 110.28 18.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.305 0.574 . . . . 0.0 109.684 174.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.599 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 41.3 m-80 -80.59 103.45 10.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.174 -172.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.43 ' HG ' ' HG3' ' A' ' 65' ' ' MET . 58.1 tp -99.83 127.99 45.95 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.748 -178.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -93.32 117.51 30.17 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.419 176.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.43 ' HG3' ' HG ' ' A' ' 63' ' ' LEU . 86.7 mtp -127.75 112.99 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.084 0.469 . . . . 0.0 110.604 177.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.575 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 4.4 m-20 -68.37 136.06 52.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.432 179.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 50.6 mtt -74.22 -15.57 60.99 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.259 0.552 . . . . 0.0 111.116 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -114.49 36.39 3.8 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.095 0.95 . . . . 0.0 109.626 -174.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.592 ' HG2' ' H ' ' A' ' 70' ' ' GLY . 77.4 tttt -105.84 -179.74 4.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.027 -1.442 . . . . 0.0 110.126 -176.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.592 ' H ' ' HG2' ' A' ' 69' ' ' LYS . . . -58.69 -31.32 67.22 Favored Glycine 0 C--N 1.334 0.451 0 C-N-CA 121.684 -0.293 . . . . 0.0 112.906 179.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.541 ' O ' HD23 ' A' ' 75' ' ' LEU . 2.9 mp0 -107.43 7.43 28.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.023 0.44 . . . . 0.0 110.173 176.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.95 -46.1 68.89 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.962 -0.637 . . . . 0.0 113.342 -172.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.3 m -69.2 -22.64 26.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.503 0.192 . . . . 0.0 110.813 -175.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.64 -54.9 24.53 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 174.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' ' 71' ' ' GLU . 2.5 mm? -58.39 -36.0 72.87 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.655 178.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.463 ' HG2' ' CG2' ' A' ' 81' ' ' VAL . 12.0 mtp180 -58.62 -44.37 89.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.644 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -76.5 -41.3 47.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.042 0.448 . . . . 0.0 110.459 178.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -57.8 -49.21 77.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.256 -176.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -104.01 2.94 32.84 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.846 -176.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 53.31 63.89 4.67 Favored Glycine 0 C--N 1.333 0.412 0 CA-C-N 115.528 -0.76 . . . . 0.0 113.03 176.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.495 HG12 HG21 ' A' ' 86' ' ' THR . 19.3 m -83.36 143.35 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-O 121.085 0.469 . . . . 0.0 110.895 -177.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -137.37 -22.03 1.15 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.312 176.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.1 176.82 6.82 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 174.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.597 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 36.1 m-85 -91.15 -49.19 0.34 Allowed Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.597 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 98.6 Cg_endo -90.05 110.04 0.41 Allowed 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 121.508 1.472 . . . . 0.0 112.212 174.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.495 HG21 HG12 ' A' ' 81' ' ' VAL . 37.8 m -131.71 118.28 19.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.923 0.392 . . . . 0.0 110.691 -179.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.585 HD12 HD23 ' A' ' 100' ' ' LEU . 82.6 mt -109.07 143.36 38.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.536 -175.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.657 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 3.0 mm? -128.63 141.81 51.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.882 0.373 . . . . 0.0 111.485 -177.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -115.99 114.87 25.2 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.241 174.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.624 HG23 ' HB3' ' A' ' 27' ' ' LEU . 15.3 tt -130.03 145.68 35.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.918 0.389 . . . . 0.0 111.41 -173.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -80.88 169.74 17.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.917 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -63.7 -27.07 68.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.171 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 p -81.89 -7.43 59.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.537 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.571 ' HA2' HD11 ' A' ' 90' ' ' ILE . . . 90.32 32.81 9.2 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.305 -0.95 . . . . 0.0 112.082 -177.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -104.28 130.67 52.09 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.471 -0.196 . . . . 0.0 110.471 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.2 t -86.71 114.53 26.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 27.3 m -88.86 -28.1 5.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.14 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -165.54 138.26 4.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.139 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.594 ' H ' ' HD2' ' A' ' 99' ' ' ARG . 0.8 OUTLIER -112.12 140.51 46.75 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 175.534 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.585 HD23 HD12 ' A' ' 87' ' ' LEU . 33.0 tp -124.73 126.79 46.23 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.012 0.434 . . . . 0.0 110.997 -176.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 49.1 t -124.03 109.91 24.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.784 177.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.12 158.26 19.77 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.475 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.579 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -145.41 115.06 7.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.077 0.465 . . . . 0.0 111.534 -174.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -100.94 -174.9 2.73 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.064 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.24 162.93 3.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 177.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.591 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -47.63 -54.24 24.44 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -172.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.591 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 25.4 Cg_exo -62.67 -38.58 49.29 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.689 1.593 . . . . 0.0 111.953 -179.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -69.11 -44.51 72.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.571 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.408 HD22 HD11 ' A' ' 42' ' ' LEU . 37.6 tp -60.14 -50.56 73.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.978 178.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.482 ' HA ' HG22 ' A' ' 113' ' ' VAL . 54.0 tp -60.23 -37.33 80.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.07 179.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.463 ' O ' HD23 ' A' ' 115' ' ' LEU . 26.1 tptp -60.66 -45.52 93.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.006 0.432 . . . . 0.0 109.995 178.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -61.0 -53.91 51.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.528 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.482 HG22 ' HA ' ' A' ' 110' ' ' LEU . 17.9 m -67.88 -34.63 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.212 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.916 -175.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.543 ' O ' ' HB2' ' A' ' 118' ' ' GLU . 23.5 ttmm -63.43 -39.8 95.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.783 0.325 . . . . 0.0 110.891 -179.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 111' ' ' LYS . 4.5 mm? -75.71 -12.6 60.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.978 0.418 . . . . 0.0 110.983 178.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -91.58 -44.53 4.25 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.383 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 62.4 t -84.15 -43.64 17.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -176.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.543 ' HB2' ' O ' ' A' ' 114' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.235 0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 111.574 -177.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.545 0 CA-C-O 121.096 0.276 . . . . 0.0 113.545 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.46 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 64.9 mt -81.21 121.1 34.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.014 0.435 . . . . 0.0 110.214 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.83 103.19 15.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.597 -177.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.767 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 64.2 m-85 -83.72 119.42 24.77 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.039 178.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -83.53 119.11 24.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.761 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -80.98 97.0 7.28 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.14 -178.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.479 HD22 ' HG2' ' A' ' 15' ' ' GLU . 94.5 mt -122.38 167.32 13.43 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.063 -178.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.468 ' OG ' ' HB2' ' A' ' 15' ' ' GLU . 49.7 p -82.39 176.69 9.23 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 176.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -57.84 -56.97 29.07 Favored Pre-proline 0 CA--C 1.54 0.564 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.49 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -64.33 -36.69 43.98 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 121.794 1.663 . . . . 0.0 112.279 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.479 ' HG2' HD22 ' A' ' 11' ' ' LEU . 6.4 tp10 -58.9 -49.58 77.24 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.786 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.88 99.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.435 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 17' ' ' LEU . 1.3 tm? -61.22 -49.77 75.78 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -60.9 -40.87 94.72 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.899 177.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.476 ' HA ' HG22 ' A' ' 22' ' ' VAL . 10.3 tpp180 -60.98 -43.66 98.5 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.045 -178.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.512 ' HA ' HG21 ' A' ' 61' ' ' VAL . . . -62.67 -35.63 80.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.918 0.389 . . . . 0.0 110.793 178.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -76.14 -43.33 43.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.471 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.476 HG22 ' HA ' ' A' ' 19' ' ' ARG . 35.9 m -69.46 -29.8 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -175.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -94.51 -16.7 23.09 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.165 174.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.9 t70 56.19 71.66 0.55 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.294 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.449 ' HB2' HG23 ' A' ' 61' ' ' VAL . 96.8 mttt -143.05 174.55 10.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.603 -177.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.444 HD12 ' HE1' ' A' ' 60' ' ' PHE . 91.2 mt -81.27 135.24 35.71 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 176.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.5 tp -90.65 113.04 25.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.781 -176.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -99.47 108.42 20.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.347 176.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.536 ' HB ' ' HB3' ' A' ' 88' ' ' LEU . 31.3 t -99.7 113.39 34.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.519 -177.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -87.14 109.67 19.61 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 175.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.521 ' HB2' ' HB ' ' A' ' 86' ' ' THR . 62.4 m -110.39 111.87 23.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.849 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.456 ' O ' ' HB2' ' A' ' 67' ' ' MET . 45.4 p90 -123.14 154.11 39.09 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.844 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.723 ' HB ' ' HD1' ' A' ' 35' ' ' TRP . 12.6 p -99.63 160.39 14.33 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.149 0.5 . . . . 0.0 110.917 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.06 11.54 6.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.189 -177.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.723 ' HD1' ' HB ' ' A' ' 33' ' ' THR . 35.2 m95 -76.11 -74.84 0.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.062 -175.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.8 m -119.31 -164.04 1.02 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -177.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.09 61.92 0.63 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.411 -0.9 . . . . 0.0 113.233 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -66.62 -26.49 46.28 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.208 1.938 . . . . 0.0 110.888 175.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.2 m -68.71 -26.79 65.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.513 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -67.88 -44.86 76.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.786 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -63.62 -36.99 85.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.208 176.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.0 tp -60.37 -41.55 93.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.296 175.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.65 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 25.8 m -65.89 -30.39 70.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.334 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -59.3 -45.22 91.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.042 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.7 t -97.67 -51.29 10.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.009 -174.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.9 t -76.92 -46.61 29.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -171.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.65 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 5.0 m-85 -74.7 10.87 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -172.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -104.18 -17.7 14.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.9 0.381 . . . . 0.0 110.485 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.745 ' HB3' HG22 ' A' ' 52' ' ' VAL . 9.2 t70 -72.25 127.67 33.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.062 -178.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.2 m -69.63 -32.1 70.59 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.509 -177.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.6 tp -72.05 -50.19 30.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.051 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.745 HG22 ' HB3' ' A' ' 49' ' ' ASP . 19.6 m -57.21 -39.2 65.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.98 0.419 . . . . 0.0 111.71 -175.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.64 -52.89 63.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.316 178.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.63 -34.18 76.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.437 0.636 . . . . 0.0 109.96 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.428 ' O ' ' HB2' ' A' ' 59' ' ' HIS . 42.5 t80 -54.19 -58.72 6.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.623 -1.171 . . . . 0.0 110.56 177.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -76.98 -50.01 14.15 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -176.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.401 ' HA ' ' ND2' ' A' ' 62' ' ' ASN . 90.8 m-20 -60.64 -33.65 73.1 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -171.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -89.55 -42.73 11.26 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 55' ' ' TYR . 58.5 m-70 -82.34 -30.56 30.31 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -173.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.444 ' HE1' HD12 ' A' ' 26' ' ' LEU . 67.6 m-85 -122.44 166.03 15.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.933 0.397 . . . . 0.0 111.35 -173.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.512 HG21 ' HA ' ' A' ' 20' ' ' ALA . 62.1 t -95.19 110.22 23.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 173.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' A' ' 57' ' ' ASN . 33.7 m-80 -92.98 111.14 22.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.907 0.384 . . . . 0.0 110.54 -176.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.431 HD23 HG13 ' A' ' 29' ' ' VAL . 50.9 tp -109.89 136.94 48.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.24 -176.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.767 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 56.7 tttm -114.7 122.11 45.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.982 175.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 85.3 mtp -136.27 158.48 44.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.475 0.178 . . . . 0.0 110.584 178.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.95 156.13 17.06 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.25 0.548 . . . . 0.0 110.762 177.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.485 ' SD ' ' HB3' ' A' ' 31' ' ' CYS . 4.8 tpt -95.23 -21.39 18.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.123 -0.944 . . . . 0.0 112.766 -166.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -113.98 93.8 4.53 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.825 0.821 . . . . 0.0 109.852 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.439 ' HG2' ' H ' ' A' ' 71' ' ' GLU . 21.8 ttmm -163.3 160.99 24.44 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 113.874 -1.512 . . . . 0.0 107.478 -177.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -53.49 -39.9 60.94 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.114 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.439 ' H ' ' HG2' ' A' ' 69' ' ' LYS . 2.4 mp0 -80.4 -37.39 32.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.667 0.27 . . . . 0.0 110.819 177.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.88 -43.74 98.79 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.819 -178.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.0 p -67.24 -28.63 43.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.871 0.367 . . . . 0.0 110.562 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -69.3 -46.02 68.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.184 0.516 . . . . 0.0 109.907 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 82.8 mt -67.25 -34.72 78.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.592 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -60.44 -39.15 86.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.213 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -76.33 -36.2 58.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.445 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -63.12 -38.53 91.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.7 -174.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -109.63 -9.16 14.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.287 -176.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.2 26.81 73.72 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.409 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.606 ' HB ' HG21 ' A' ' 86' ' ' THR . 15.7 m -86.67 102.57 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 CA-C-O 121.573 0.702 . . . . 0.0 111.009 -177.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -123.88 77.0 1.49 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.605 0.717 . . . . 0.0 110.553 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.82 -163.36 1.61 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.218 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.889 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 25.4 m-85 -107.92 -58.31 0.05 OUTLIER Pre-proline 0 C--N 1.322 -0.609 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.166 176.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.889 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 15.3 Cg_endo -94.8 105.34 0.12 Allowed 'Trans proline' 0 N--CA 1.445 -1.372 0 C-N-CA 122.245 1.963 . . . . 0.0 110.784 169.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.606 HG21 ' HB ' ' A' ' 81' ' ' VAL . 23.8 m -117.73 122.79 44.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.003 0.43 . . . . 0.0 111.685 -174.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.1 mp -104.04 111.4 23.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.556 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.536 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 40.0 tp -109.84 123.33 49.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.8 -176.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -104.27 114.32 28.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.188 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.487 HG22 ' O ' ' A' ' 91' ' ' ASN . 56.0 mt -123.4 145.86 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.454 -176.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.553 ' HB2' ' HB2' ' A' ' 95' ' ' GLU . 84.6 m-20 -74.74 167.78 21.14 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 173.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.9 p -68.48 -36.54 79.1 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.698 -172.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 t -80.53 -8.52 59.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.075 0.464 . . . . 0.0 110.699 -178.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 101.17 70.14 0.88 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.525 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.553 ' HB2' ' HB2' ' A' ' 91' ' ' ASN . 49.0 mt-10 -138.2 144.26 40.59 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.515 -0.179 . . . . 0.0 110.515 178.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.9 t -77.99 113.92 17.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.671 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.529 HG11 HG13 ' A' ' 117' ' ' VAL . 31.0 t -92.08 -61.5 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.406 178.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -146.09 138.11 25.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.234 -175.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -110.94 113.62 26.32 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.564 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 48.9 tp -120.33 127.57 52.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.069 0.461 . . . . 0.0 111.227 -174.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.1 t -109.04 116.21 51.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.267 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.95 157.47 29.28 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.149 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -125.91 141.55 51.93 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.401 ' H ' HD13 ' A' ' 109' ' ' LEU . 36.8 mt-10 -123.48 -179.46 4.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.754 -174.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.97 155.82 15.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.61 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -49.04 -56.58 14.83 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -172.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.61 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 27.3 Cg_exo -62.23 -35.93 71.53 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.674 1.582 . . . . 0.0 112.191 -178.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 33.9 tt0 -74.08 -40.75 62.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.436 -178.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.455 ' O ' HG23 ' A' ' 113' ' ' VAL . 27.3 tp -65.51 -48.83 71.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.325 178.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 106' ' ' ALA . 96.5 mt -52.86 -40.37 63.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.667 177.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -66.21 -42.01 89.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.5 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 108' ' ' GLU . 33.4 mmtp -65.58 -38.11 88.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.218 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 109' ' ' LEU . 89.6 t -63.67 -52.4 57.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.628 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -63.4 -40.14 96.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 111.174 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 61.4 tp -66.9 -40.95 87.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.383 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -81.31 -44.64 7.9 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.497 -0.858 . . . . 0.0 113.316 -175.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.529 HG13 HG11 ' A' ' 97' ' ' VAL . 59.0 t -81.43 -48.36 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -173.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 121.261 0.553 . . . . 0.0 111.448 -175.228 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.924 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.593 HG22 ' HB3' ' A' ' 47' ' ' PHE . 2.3 tp -96.78 142.29 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.635 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.91 88.72 3.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.286 0.565 . . . . 0.0 111.097 -176.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 62' ' ' ASN . 96.4 m-85 -65.39 145.42 56.18 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.916 174.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.459 ' O ' HD12 ' A' ' 63' ' ' LEU . 33.5 mmt180 -83.77 115.12 22.06 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 175.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.418 ' C ' HD12 ' A' ' 11' ' ' LEU . 24.1 mt-10 -94.18 91.53 6.82 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.555 0.693 . . . . 0.0 109.298 178.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.433 HD13 ' HB3' ' A' ' 9' ' ' ARG . 6.1 mp -140.04 168.48 19.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.059 -174.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.4 m -62.02 151.75 34.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.226 175.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.497 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 82.1 t80 -54.95 -52.74 68.33 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -176.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 11.5 Cg_endo -55.13 -37.88 93.85 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.252 1.968 . . . . 0.0 112.707 178.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.608 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 55.5 mm-40 -66.73 -47.38 72.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.341 179.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.422 ' HB2' HD13 ' A' ' 63' ' ' LEU . . . -58.99 -45.36 90.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.919 0.39 . . . . 0.0 111.057 -178.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.8 tp -63.41 -44.59 94.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.013 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HB2' ' HE3' ' A' ' 18' ' ' LYS . 38.1 ttmt -55.28 -47.4 75.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.529 177.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 11.9 mmt180 -63.24 -39.95 96.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.028 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.71 -46.6 78.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.808 0.337 . . . . 0.0 110.482 176.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -54.57 -45.4 73.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.438 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.0 t -85.91 -54.49 8.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -173.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -93.53 -29.35 15.56 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -167.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.463 ' HB3' HG23 ' A' ' 61' ' ' VAL . 6.8 t70 -125.74 -143.99 0.31 Allowed 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.0 -0.68 . . . . 0.0 111.437 -173.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HB3' ' HE3' ' A' ' 25' ' ' LYS . 5.8 ptpp? -129.24 -40.0 1.49 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -170.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.42 ' HG ' ' HG3' ' A' ' 25' ' ' LYS . 96.7 mt -142.33 166.16 25.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.794 0.331 . . . . 0.0 110.6 -176.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.565 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 55.6 tp -116.83 112.71 21.48 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.271 179.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -92.8 106.58 18.53 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.414 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.786 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 39.0 t -97.96 110.55 25.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.069 0.461 . . . . 0.0 111.134 -175.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -86.65 111.67 20.88 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.597 174.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 65' ' ' MET . 73.2 m -111.52 113.23 25.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.135 0.493 . . . . 0.0 109.992 178.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -124.25 156.51 36.74 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.438 0.637 . . . . 0.0 110.921 -175.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.409 ' C ' ' H ' ' A' ' 35' ' ' TRP . 22.4 m -101.95 159.47 15.33 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.549 171.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.7 t -65.65 2.82 0.87 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.181 0.515 . . . . 0.0 111.557 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.443 ' HD1' ' HD2' ' A' ' 38' ' ' PRO . 58.7 t-105 -59.5 125.51 23.92 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.235 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.6 p -83.2 27.72 0.56 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.268 -0.423 . . . . 0.0 112.005 -174.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.01 -113.06 3.66 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.644 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.522 ' HB2' ' HG3' ' A' ' 85' ' ' PRO . 72.7 Cg_exo -50.45 -38.61 53.9 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.673 2.915 . . . . 0.0 113.809 -177.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 70.1 m -59.7 -33.87 72.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.776 0.322 . . . . 0.0 111.475 -178.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -79.99 -43.71 21.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.899 0.381 . . . . 0.0 110.678 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -62.7 -37.41 86.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.639 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.474 HD13 ' HB1' ' A' ' 103' ' ' ALA . 60.4 tp -57.01 -44.08 82.45 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.965 178.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.0 m -70.98 -30.78 67.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -82.08 -28.41 32.36 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -175.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.1 t -95.0 -54.24 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.541 -0.463 . . . . 0.0 111.566 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.67 HG11 HD23 ' A' ' 109' ' ' LEU . 47.9 t -83.82 -58.69 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.881 -173.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.593 ' HB3' HG22 ' A' ' 6' ' ' ILE . 25.0 m-85 -78.57 -11.27 59.95 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -169.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -77.65 -23.82 49.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.078 0.466 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -73.25 128.61 35.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.039 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.1 m -57.62 -42.61 83.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.842 -176.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.1 mp -71.54 -42.33 68.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.732 0.301 . . . . 0.0 110.922 -177.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.411 HG13 HD11 ' A' ' 110' ' ' LEU . 75.5 t -69.76 -45.35 77.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.388 -178.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.79 -46.02 88.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.969 0.414 . . . . 0.0 110.578 177.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.37 -40.49 96.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.401 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -59.61 -48.74 80.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.662 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -66.24 -42.9 87.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.221 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.586 ' HB2' HD11 ' A' ' 6' ' ' ILE . 25.8 t-20 -61.48 -39.76 92.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.81 -177.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.798 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 1.3 mmp_? -89.04 -23.76 22.49 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -176.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -87.88 -23.2 24.02 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.166 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.408 ' HD2' ' HB2' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -150.9 167.22 28.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.463 HG23 ' HB3' ' A' ' 24' ' ' ASP . 78.3 t -85.66 120.55 35.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 171.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.533 ' N ' HD22 ' A' ' 62' ' ' ASN . 0.8 OUTLIER -84.84 119.77 25.7 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.83 -176.034 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 9' ' ' ARG . 46.1 tp -114.68 138.08 51.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.143 179.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.463 ' HB2' ' CB ' ' A' ' 8' ' ' PHE . 37.0 ttmt -105.75 127.98 53.42 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 177.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.474 ' HG2' HD22 ' A' ' 75' ' ' LEU . 55.3 tpp -137.95 136.82 37.36 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.836 -178.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.447 ' O ' ' HA3' ' A' ' 72' ' ' GLY . 18.6 t70 -87.12 156.26 19.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 176.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 13.1 mmt -78.34 -15.54 58.62 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.746 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -119.14 -55.95 2.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.539 -177.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HD2' ' HA ' ' A' ' 69' ' ' LYS . 44.1 tptt -88.82 162.58 16.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.709 -175.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . 73.42 29.0 64.66 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.342 178.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 0.8 OUTLIER 68.62 20.09 8.4 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.837 0.351 . . . . 0.0 110.618 -177.756 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.447 ' HA3' ' O ' ' A' ' 66' ' ' ASP . . . -55.24 -32.41 57.23 Favored Glycine 0 C--N 1.333 0.404 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.879 178.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.4 p -59.32 -29.83 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-O 120.658 0.266 . . . . 0.0 111.293 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.42 -42.72 78.52 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.474 HD22 ' HG2' ' A' ' 65' ' ' MET . 6.7 mp -72.11 -40.34 68.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.244 178.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -56.03 -45.62 79.09 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.508 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -71.04 -34.48 71.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.333 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -67.33 -41.82 84.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.883 -172.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -105.12 8.39 34.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.302 -173.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 59.8 35.2 85.72 Favored Glycine 0 C--N 1.332 0.316 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.93 175.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.438 HG21 ' OG1' ' A' ' 86' ' ' THR . 7.4 p -94.96 129.86 44.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.139 0.495 . . . . 0.0 111.002 -176.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -113.22 -3.23 13.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.877 176.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.21 173.05 12.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.373 -175.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.718 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 81.7 m-85 -92.33 -50.21 0.29 Allowed Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.828 -177.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.718 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 88.9 Cg_endo -94.81 133.15 0.63 Allowed 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 122.132 1.888 . . . . 0.0 111.923 173.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.438 ' OG1' HG21 ' A' ' 81' ' ' VAL . 40.1 m -150.94 129.4 12.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.091 0.472 . . . . 0.0 111.622 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.469 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 7.2 mp -104.72 116.14 31.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.018 178.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.786 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 92.0 mt -106.19 133.95 50.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.705 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.42 ' CZ ' HG22 ' A' ' 113' ' ' VAL . 41.5 m-85 -113.31 106.33 14.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.207 -179.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.565 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 36.9 mm -107.49 136.81 41.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.194 -176.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.406 ' O ' HG22 ' A' ' 90' ' ' ILE . 35.1 p30 -90.66 176.68 6.58 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 174.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.0 m -62.91 -18.37 62.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.821 0.343 . . . . 0.0 111.491 -177.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.9 t -77.89 -15.63 58.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.046 0.451 . . . . 0.0 110.473 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 89.88 20.2 44.29 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.693 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -120.29 163.68 17.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.661 0.267 . . . . 0.0 110.407 -177.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.2 m -93.53 142.16 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.092 0.472 . . . . 0.0 111.799 -176.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 31.3 m -105.68 -24.25 4.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.329 173.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -161.68 147.62 13.78 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.693 -177.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -123.56 126.08 46.02 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 176.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.469 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 50.4 tp -114.55 109.17 17.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.022 0.439 . . . . 0.0 110.78 -179.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 61.2 t -95.94 113.66 30.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.307 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.22 -155.87 16.01 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.474 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -150.61 149.18 29.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.066 0.46 . . . . 0.0 111.497 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.416 ' H ' HD13 ' A' ' 109' ' ' LEU . 76.9 mm-40 -115.18 179.35 3.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.113 175.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -80.21 174.94 11.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 174.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.571 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -53.79 -54.98 40.43 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -172.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.571 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 24.2 Cg_exo -63.22 -44.32 15.55 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 121.781 1.654 . . . . 0.0 112.826 -177.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -74.62 -27.29 60.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.989 -176.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.67 HD23 HG11 ' A' ' 46' ' ' VAL . 17.8 tp -64.83 -47.01 79.54 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 178.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 10.5 mp -56.61 -38.0 71.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.435 175.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -63.04 -45.9 90.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.375 178.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -58.47 -46.44 86.61 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.951 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 109' ' ' LEU . 43.5 t -67.57 -43.81 86.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.823 -179.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 110' ' ' LEU . 39.1 tttm -64.19 -46.12 85.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.096 -175.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 87.5 mt -76.51 -18.87 58.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.909 0.385 . . . . 0.0 110.704 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -75.91 -31.05 56.66 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.253 178.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 33.5 m -99.19 0.21 10.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.024 0.44 . . . . 0.0 110.9 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.122 179.039 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.662 ' HA2' ' O ' ' A' ' 47' ' ' PHE . . . . . . . . 0 N--CA 1.446 -0.678 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.967 HG13 ' HA ' ' A' ' 47' ' ' PHE . 52.3 mt -68.49 125.81 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 117.22 0.51 . . . . 0.0 110.361 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.49 83.4 6.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.886 0.374 . . . . 0.0 111.093 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.635 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 17.2 m-85 -71.36 121.34 18.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.911 174.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.494 ' O ' HD12 ' A' ' 63' ' ' LEU . 28.7 mtt180 -94.48 124.15 38.34 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.837 -174.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -100.63 95.3 6.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.516 0.674 . . . . 0.0 111.285 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -110.69 169.03 9.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.63 177.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.414 ' HA ' ' OE2' ' A' ' 71' ' ' GLU . 19.7 m -67.36 146.89 53.62 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 175.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.452 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 81.1 t80 -57.05 -55.03 48.29 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -174.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 17.7 Cg_endo -57.85 -40.38 79.04 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.891 1.727 . . . . 0.0 112.034 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -63.21 -49.6 73.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.41 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.14 -37.65 88.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.892 -177.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.9 tp -65.16 -42.91 93.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.487 0.661 . . . . 0.0 109.962 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -57.87 -50.33 73.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.002 175.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -58.95 -46.08 88.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.503 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.65 -39.51 68.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 111.386 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.455 ' HA ' ' OG ' ' A' ' 92' ' ' SER . 37.3 tt0 -70.08 -45.47 66.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.914 -178.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.2 m -75.66 -28.07 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.942 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -77.83 -18.73 55.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.9 t70 59.26 50.79 7.46 Favored 'General case' 0 N--CA 1.46 0.056 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.644 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HB3' ' HA ' ' A' ' 60' ' ' PHE . 43.7 mmtm -137.13 153.6 50.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.801 -178.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.738 ' HB2' ' HB3' ' A' ' 60' ' ' PHE . 88.8 mt -64.01 141.71 58.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.134 175.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.595 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 61.0 tp -92.33 101.2 13.68 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.414 ' CZ ' HD22 ' A' ' 87' ' ' LEU . 88.4 t80 -92.51 107.29 19.1 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.007 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.584 HG22 HD23 ' A' ' 63' ' ' LEU . 38.4 t -102.68 124.21 56.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.021 -176.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -99.92 117.84 35.08 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.264 175.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 75.9 m -122.52 111.76 17.21 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 173.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -112.53 154.36 26.06 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.106 0.479 . . . . 0.0 111.368 -174.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.454 HG21 ' HA ' ' A' ' 83' ' ' ALA . 35.7 m -100.27 149.05 23.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.107 175.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.8 p -70.93 16.42 0.09 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.425 ' H ' ' C ' ' A' ' 33' ' ' THR . 8.0 t90 -67.21 -23.32 65.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.278 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.9 m 59.78 29.71 19.27 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.327 175.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.47 -108.24 1.54 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.213 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.94 -31.38 81.51 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.758 2.305 . . . . 0.0 112.494 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 76.5 m -55.72 -48.02 75.89 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.811 0.339 . . . . 0.0 111.536 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -75.36 -37.0 60.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.819 0.342 . . . . 0.0 110.821 -174.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 41' ' ' ARG . 19.4 mtm180 -71.07 -33.23 70.04 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.579 178.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.792 HD11 HD22 ' A' ' 109' ' ' LEU . 43.8 tp -63.0 -45.34 92.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.071 0.462 . . . . 0.0 109.807 174.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.729 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 33.8 m -61.04 -30.7 70.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.9 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -78.73 -22.19 46.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.371 -177.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.466 HG12 ' HB2' ' A' ' 106' ' ' ALA . 65.7 t -108.29 -53.92 6.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -174.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 42' ' ' LEU . 8.7 p -79.76 -31.13 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.489 -171.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.967 ' HA ' HG13 ' A' ' 6' ' ' ILE . 10.0 m-85 -68.75 -29.01 67.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.267 0.556 . . . . 0.0 110.21 178.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -70.18 -25.78 63.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.792 -174.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -89.62 107.92 19.37 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.471 -177.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.0 m -69.43 -31.0 69.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.321 -177.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.73 -44.7 85.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 0.0 110.33 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.4 t -68.65 -38.49 79.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.561 177.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.468 ' HB2' HG12 ' A' ' 6' ' ' ILE . . . -57.56 -50.73 72.14 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 177.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -34.73 78.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.239 179.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -59.75 -48.4 81.81 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.346 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -61.14 -55.44 32.34 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.648 177.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -61.07 -30.57 70.42 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -174.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -68.54 -46.76 68.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.747 0.308 . . . . 0.0 110.951 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -81.98 -31.46 31.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.009 -173.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.738 ' HB3' ' HB2' ' A' ' 26' ' ' LEU . 9.0 p90 -155.4 157.96 37.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.212 0.53 . . . . 0.0 111.787 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.8 m -80.72 133.69 28.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.858 -177.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.449 ' N ' HD22 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -92.75 106.86 18.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.615 -178.866 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.584 HD23 HG22 ' A' ' 29' ' ' VAL . 45.1 tp -110.19 128.53 55.53 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.113 -178.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.635 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 26.4 ttpp -113.02 126.92 56.01 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.229 177.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 79.1 mtp -136.77 113.75 10.51 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -66.94 155.67 37.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.309 -174.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 61.3 mtt -78.77 -10.15 59.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.293 175.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -113.21 21.6 15.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.769 0.795 . . . . 0.0 109.49 175.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -93.05 158.94 15.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.699 174.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.31 -56.44 23.38 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.308 -0.473 . . . . 0.0 113.195 -176.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.414 ' OE2' ' HA ' ' A' ' 12' ' ' SER . 26.9 mt-10 -75.97 -12.42 60.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.032 0.444 . . . . 0.0 110.737 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.16 -31.14 75.77 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.618 -178.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 35.6 m -55.54 -38.53 49.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -177.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -73.31 -45.13 57.2 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.322 -178.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 46.4 mt -62.73 -41.5 99.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.172 0.511 . . . . 0.0 110.499 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.653 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 51.9 ttp180 -57.09 -47.15 81.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.249 179.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.455 ' HE2' ' HB3' ' A' ' 77' ' ' LYS . 31.3 ttpt -74.23 -35.15 63.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.78 -178.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -80.79 -48.24 12.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.345 -170.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -92.2 -9.45 42.26 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -171.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.3 84.26 1.79 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.296 -0.954 . . . . 0.0 113.318 174.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.653 ' HB ' ' HG3' ' A' ' 76' ' ' ARG . 7.5 p -64.85 141.08 18.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.203 0.525 . . . . 0.0 110.655 174.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -137.22 -91.7 0.24 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.853 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.454 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -174.73 22.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.701 0.762 . . . . 0.0 109.873 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.592 ' HB3' ' HD2' ' A' ' 85' ' ' PRO . 9.8 m-85 -128.94 -179.45 1.0 Allowed Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.125 -170.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.592 ' HD2' ' HB3' ' A' ' 84' ' ' TYR . 58.4 Cg_endo -79.33 116.06 3.55 Favored 'Trans proline' 0 N--CA 1.449 -1.136 0 C-N-CA 121.612 1.541 . . . . 0.0 110.835 165.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.4 m -95.33 105.55 17.51 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.87 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.621 HD12 HD23 ' A' ' 100' ' ' LEU . 43.6 mt -94.12 115.65 27.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.434 0.635 . . . . 0.0 109.91 -177.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.566 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 60.7 mt -111.58 123.71 50.78 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.386 -172.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -102.14 110.97 23.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.745 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.595 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 65.3 mt -113.98 138.71 42.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.782 -179.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -76.39 167.65 21.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.017 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.455 ' OG ' ' HA ' ' A' ' 21' ' ' GLU . 48.0 t -65.47 -26.75 68.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.72 175.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.2 m -77.96 1.79 19.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.322 179.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.96 26.55 62.07 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.423 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -113.14 144.62 42.35 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 -178.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.6 m -78.04 128.71 38.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.86 0.362 . . . . 0.0 110.232 176.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.4 p -106.75 -43.15 6.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -142.14 131.53 23.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.11 0.481 . . . . 0.0 110.465 177.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -108.21 119.93 40.89 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.464 175.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.621 HD23 HD12 ' A' ' 87' ' ' LEU . 50.3 tp -116.04 106.5 13.83 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.172 0.51 . . . . 0.0 110.642 -179.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.9 m -103.38 101.68 12.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.327 0.584 . . . . 0.0 109.976 174.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.89 164.41 10.11 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.121 -177.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.5 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -160.27 118.97 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.884 0.373 . . . . 0.0 110.91 -178.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -100.33 -175.16 2.85 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.45 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.407 ' OD2' ' HD2' ' A' ' 107' ' ' PRO . 27.5 t70 -54.8 151.98 7.78 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.59 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -44.42 -54.72 11.5 Favored Pre-proline 0 N--CA 1.476 0.827 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -169.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.59 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 40.1 Cg_exo -58.97 -36.54 96.64 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.978 1.786 . . . . 0.0 112.711 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -74.12 -38.52 63.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.801 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.792 HD22 HD11 ' A' ' 42' ' ' LEU . 50.7 tp -62.46 -53.86 48.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.032 0.444 . . . . 0.0 110.29 176.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 62.2 tp -54.62 -36.29 64.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.828 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -67.15 -41.55 85.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.495 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.6 -34.25 77.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.788 177.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 109' ' ' LEU . 98.9 t -59.89 -42.47 89.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.24 175.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -61.55 -41.42 97.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.03 -17.14 63.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.051 177.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -91.31 -43.36 4.65 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.652 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.443 ' O ' ' HB2' ' A' ' 118' ' ' GLU . 64.8 t -67.74 -33.83 64.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-O 120.295 0.093 . . . . 0.0 111.16 -178.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 117' ' ' VAL . 28.4 mm-40 . . . . . 0 C--O 1.233 0.228 0 CA-C-O 121.394 0.616 . . . . 0.0 111.18 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.609 0 N-CA-C 112.711 -0.156 . . . . 0.0 112.711 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.562 HG12 ' HA ' ' A' ' 53' ' ' ALA . 40.6 mt -75.07 141.74 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.12 106.82 14.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.796 0.332 . . . . 0.0 110.776 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.761 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 83.8 m-85 -91.95 133.21 35.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.24 177.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 62' ' ' ASN . 13.8 ptp180 -101.32 137.55 39.51 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.925 0.393 . . . . 0.0 110.217 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -94.12 94.47 8.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.821 -174.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.464 ' O ' HD11 ' A' ' 63' ' ' LEU . 95.0 mt -127.93 161.74 28.39 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.282 -178.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.9 m -70.29 160.72 31.7 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 175.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.424 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 74.1 t80 -58.63 -56.13 38.86 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.596 -177.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 18.9 Cg_endo -59.94 -34.26 95.26 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 121.974 1.783 . . . . 0.0 111.943 178.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -63.05 -48.73 77.43 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.385 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.33 -42.37 88.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.484 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.3 tp -57.6 -52.62 64.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.613 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -56.3 -48.26 77.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.784 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -59.49 -40.82 88.27 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.761 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.537 ' HB1' ' O ' ' A' ' 25' ' ' LYS . . . -69.43 -30.74 68.73 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.877 -178.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.89 -47.27 78.42 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.05 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.5 m -73.53 -26.19 21.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.576 -177.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -84.3 -15.14 47.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.574 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.5 t70 55.94 70.04 0.68 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.679 0.752 . . . . 0.0 110.139 -173.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.537 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 36.5 ttmt -155.77 153.39 29.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.701 -175.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.2 mp -88.02 159.0 18.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.914 0.387 . . . . 0.0 111.195 -176.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.602 ' HB2' ' HB ' ' A' ' 90' ' ' ILE . 3.3 mm? -94.19 122.77 37.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.173 -178.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -109.52 102.11 11.0 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 172.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.467 ' HB ' ' HB3' ' A' ' 88' ' ' LEU . 39.7 t -100.94 120.52 50.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.631 -176.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -105.18 128.56 53.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.996 0.427 . . . . 0.0 110.227 175.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.549 ' HB2' ' HB ' ' A' ' 86' ' ' THR . 71.1 m -124.03 111.53 16.1 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.254 175.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -107.74 157.93 17.71 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 m -99.79 163.54 12.42 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.267 -178.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.8 p -73.48 -22.32 60.19 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -174.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -65.96 160.71 22.94 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.312 178.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.9 p -91.3 173.43 7.92 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.025 -177.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.404 ' HA3' ' HD3' ' A' ' 38' ' ' PRO . . . 118.06 -109.52 1.82 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.363 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.404 ' HD3' ' HA3' ' A' ' 37' ' ' GLY . 52.3 Cg_exo -54.87 -29.1 61.83 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.387 2.725 . . . . 0.0 113.266 -178.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.4 m -61.16 -58.23 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.055 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -63.86 -31.15 72.23 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.992 0.425 . . . . 0.0 110.791 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.401 ' HD2' ' HA ' ' A' ' 41' ' ' ARG . 3.2 tpt180 -56.79 -42.32 79.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.58 178.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.472 HD21 ' HB1' ' A' ' 103' ' ' ALA . 94.1 mt -75.89 -43.58 44.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.506 176.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.644 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 50.5 m -51.98 -30.67 26.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.962 -178.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -88.99 -46.29 8.99 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.585 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 83.9 t -81.35 -54.18 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -170.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 42' ' ' LEU . 33.4 m -83.1 -21.61 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.276 -0.57 . . . . 0.0 111.536 -174.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.644 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 83.1 m-85 -91.68 32.4 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.178 0.513 . . . . 0.0 111.052 177.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -129.83 -59.28 1.07 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.635 173.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -53.19 117.61 3.16 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.844 0.715 . . . . 0.0 111.694 -172.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.3 p -69.19 -29.57 67.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.668 -174.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.8 mt -71.0 -48.34 53.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.34 . . . . 0.0 110.466 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.47 -46.9 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.221 175.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.562 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -60.37 -39.49 87.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.37 179.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.96 -45.61 88.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.736 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -61.06 -47.13 87.8 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.152 -176.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -70.43 -48.58 55.29 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -60.11 -30.81 69.51 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.767 0.317 . . . . 0.0 111.38 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.7 ttm-85 -88.21 -53.5 4.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.266 -0.425 . . . . 0.0 112.132 -176.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -84.69 -19.62 32.52 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -169.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -129.6 161.86 29.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.079 0.466 . . . . 0.0 111.498 -175.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.8 t -95.92 110.11 23.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 170.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.514 ' HB3' ' CD1' ' A' ' 8' ' ' PHE . 34.7 m-80 -82.78 104.0 12.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.885 -173.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.464 HD11 ' O ' ' A' ' 11' ' ' LEU . 54.4 tp -100.19 126.82 46.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.523 -178.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.761 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 64.0 tttm -99.28 122.24 42.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.454 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.6 mmt -132.04 123.54 27.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.968 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.593 ' HB2' ' HB3' ' A' ' 69' ' ' LYS . 4.0 m-20 -92.32 149.27 21.53 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.532 175.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 24.7 mmt -67.36 -20.41 65.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.057 0.456 . . . . 0.0 111.201 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -115.85 14.73 16.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.615 -176.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.593 ' HB3' ' HB2' ' A' ' 66' ' ' ASP . 81.0 tttt -129.28 129.06 44.43 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 120.799 0.333 . . . . 0.0 110.628 -175.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.44 -131.39 38.16 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.374 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.459 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 1.8 mp0 -90.63 8.86 32.11 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.013 -0.094 . . . . 0.0 111.092 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.466 ' HA3' ' O ' ' A' ' 66' ' ' ASP . . . -55.16 -40.6 75.45 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 121.416 -0.421 . . . . 0.0 112.759 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.47 -36.71 77.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.772 0.32 . . . . 0.0 110.997 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -71.31 -37.73 71.78 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 92.6 mt -61.8 -39.54 92.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.886 0.374 . . . . 0.0 110.24 177.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -57.88 -44.97 87.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.547 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -76.59 -29.49 56.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.939 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -68.62 -49.71 57.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.075 -177.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.449 ' CZ ' HD21 ' A' ' 88' ' ' LEU . 85.3 m-85 -96.72 -4.19 41.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.313 -174.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 60.27 41.2 98.24 Favored Glycine 0 C--N 1.332 0.306 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.6 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.496 HG11 HG21 ' A' ' 86' ' ' THR . 26.9 m -78.48 139.33 18.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.803 0.335 . . . . 0.0 110.81 -177.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -127.82 9.05 6.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.679 -176.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.465 ' HB3' ' HB ' ' A' ' 101' ' ' VAL . . . -101.56 179.75 4.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.473 0.177 . . . . 0.0 110.697 -177.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.775 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 68.2 m-85 -90.76 -51.48 0.32 Allowed Pre-proline 0 C--O 1.237 0.402 0 CA-C-O 119.52 -0.276 . . . . 0.0 111.071 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.775 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 11.4 Cg_endo -93.24 137.55 1.38 Allowed 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 122.569 2.179 . . . . 0.0 110.978 170.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.549 ' HB ' ' HB2' ' A' ' 31' ' ' CYS . 2.2 m -133.75 114.5 13.47 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.459 -176.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.7 mp -103.97 111.71 24.38 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.467 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 16.4 tp -116.81 135.49 53.7 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.044 -173.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.403 ' HZ ' ' HB ' ' A' ' 113' ' ' VAL . 63.6 m-85 -109.06 109.36 20.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.386 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.602 ' HB ' ' HB2' ' A' ' 27' ' ' LEU . 48.6 mm -104.89 130.54 55.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.102 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.41 HD21 ' HG3' ' A' ' 95' ' ' GLU . 8.5 p30 -100.42 -178.42 3.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.983 -178.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.3 m -65.14 -19.65 66.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.095 -175.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.2 m -78.18 0.53 24.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.97 0.414 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 73.45 30.87 61.7 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.274 177.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.41 ' HG3' HD21 ' A' ' 91' ' ' ASN . 10.7 pt-20 -143.22 -179.29 6.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.537 0.208 . . . . 0.0 110.681 -178.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 10.2 p -108.93 151.75 11.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.252 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 45.1 t -107.22 -48.25 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 174.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -126.69 125.61 42.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.476 178.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -91.53 126.86 36.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.832 175.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.9 tt -126.47 112.11 15.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.193 0.521 . . . . 0.0 110.283 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.465 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 30.7 m -109.64 140.42 28.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.161 176.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.55 171.05 27.97 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.86 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.472 ' HB1' HD21 ' A' ' 42' ' ' LEU . . . -145.35 161.15 40.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.834 0.317 . . . . 0.0 111.07 -178.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.68 ' HG3' ' HD3' ' A' ' 112' ' ' LYS . 29.1 mm-40 -129.64 -174.01 3.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.866 -175.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.441 ' OD1' ' HD2' ' A' ' 107' ' ' PRO . 5.8 t70 -65.26 162.9 16.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 170.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.83 -57.01 17.75 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -171.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.441 ' HD2' ' OD1' ' A' ' 105' ' ' ASP . 28.6 Cg_endo -62.98 -39.53 39.88 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.995 1.796 . . . . 0.0 112.799 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -70.42 -38.48 74.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.342 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.401 HD13 ' H ' ' A' ' 104' ' ' GLU . 41.0 tp -58.74 -49.19 78.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.232 0.539 . . . . 0.0 109.767 178.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 40.9 tp -58.86 -35.38 72.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.93 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -65.06 -52.28 56.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.337 177.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.68 ' HD3' ' HG3' ' A' ' 104' ' ' GLU . 49.1 mtpt -63.81 -38.0 89.47 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -172.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.403 ' HB ' ' HZ ' ' A' ' 89' ' ' PHE . 27.2 m -69.47 -44.63 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.301 0 CA-C-O 120.407 0.146 . . . . 0.0 111.235 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -67.42 -35.22 78.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.071 0.462 . . . . 0.0 111.25 178.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 50.5 tp -66.78 -39.16 87.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.41 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -66.36 -36.04 91.06 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.889 -178.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 34.3 m -92.92 -0.74 10.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -176.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 . . . . . 0 N--CA 1.467 0.413 0 O-C-N 123.455 0.472 . . . . 0.0 111.381 -178.642 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.686 0 CA-C-O 120.992 0.218 . . . . 0.0 112.987 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.537 HG12 ' HA ' ' A' ' 53' ' ' ALA . 62.8 mt -91.12 135.74 26.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.74 0.305 . . . . 0.0 110.516 -177.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.65 108.46 20.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.025 0.44 . . . . 0.0 111.148 -178.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -93.15 152.84 19.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.098 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -117.76 152.61 34.95 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.178 177.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -98.61 94.68 6.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.662 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.498 ' O ' HD11 ' A' ' 63' ' ' LEU . 92.8 mt -139.94 164.41 30.09 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 p -89.47 174.44 7.79 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 172.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.508 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 69.7 t80 -59.75 -52.52 73.24 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.249 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 15.7 Cg_endo -57.5 -35.69 98.81 Favored 'Trans proline' 0 C--N 1.359 1.119 0 C-N-CA 122.377 2.051 . . . . 0.0 112.417 176.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.19 -42.5 88.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.96 0.409 . . . . 0.0 111.089 178.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.455 ' HB2' HD22 ' A' ' 63' ' ' LEU . . . -70.92 -35.25 72.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.612 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.5 tp -67.26 -36.56 81.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.377 0.608 . . . . 0.0 109.878 177.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.611 ' HE2' ' HA ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -55.95 -52.31 64.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.743 172.436 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -58.59 -36.38 73.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.861 176.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.448 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -60.37 -35.74 76.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.653 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -69.18 -37.27 78.09 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.483 177.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.2 t -73.72 -56.5 9.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.519 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -77.34 -30.25 53.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.59 -175.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.9 t70 60.38 37.6 19.96 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 122.339 1.066 . . . . 0.0 109.038 -175.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . 35.8 ttmt -112.37 151.8 29.36 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.429 -1.259 . . . . 0.0 109.322 -176.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 98.5 mt -66.88 145.71 55.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.899 0.381 . . . . 0.0 110.879 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.469 ' HB2' HG22 ' A' ' 90' ' ' ILE . 3.1 mm? -96.4 130.44 43.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.818 -176.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -113.4 103.05 10.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.277 175.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.637 ' HB ' ' HB3' ' A' ' 88' ' ' LEU . 37.3 t -103.11 111.94 34.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.051 0.453 . . . . 0.0 110.858 -177.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -84.08 116.5 22.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.012 176.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 82.2 m -114.06 113.3 24.56 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 177.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -111.37 149.3 31.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.33 -173.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.403 ' C ' ' H ' ' A' ' 35' ' ' TRP . 30.4 m -100.88 152.54 20.41 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 169.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.8 p -73.07 15.0 0.23 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.482 ' HD1' ' HD2' ' A' ' 38' ' ' PRO . 62.4 t-105 -75.92 129.56 37.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.455 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 54.1 t -89.92 115.63 27.38 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.228 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 160.55 -98.11 0.16 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.357 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.482 ' HD2' ' HD1' ' A' ' 35' ' ' TRP . 78.3 Cg_exo -50.7 -30.49 29.16 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.735 2.957 . . . . 0.0 113.277 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.1 p -57.95 -41.28 82.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.359 . . . . 0.0 111.232 178.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -72.42 -37.96 68.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.119 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -59.78 -40.31 87.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.339 178.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.633 HD13 ' HB1' ' A' ' 103' ' ' ALA . 43.5 tp -70.41 -55.75 8.3 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.533 177.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.558 ' HA ' ' CD2' ' A' ' 47' ' ' PHE . 13.9 t -59.25 -30.99 68.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.865 -173.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -65.01 -33.98 77.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -176.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.598 HG23 HG13 ' A' ' 46' ' ' VAL . 4.8 m -108.75 -52.75 6.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -175.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.645 HG12 ' HA ' ' A' ' 106' ' ' ALA . 15.7 m -74.61 -26.2 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -169.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.558 ' CD2' ' HA ' ' A' ' 43' ' ' SER . 22.6 m-85 -101.66 18.06 21.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.091 0.472 . . . . 0.0 109.975 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -123.49 -34.63 3.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.279 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.42 ' OD2' ' HB2' ' A' ' 51' ' ' LEU . 32.1 t70 -72.99 121.65 20.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.038 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.8 m -69.74 -25.69 63.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.994 -175.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.42 ' HB2' ' OD2' ' A' ' 49' ' ' ASP . 79.8 mt -70.3 -51.13 32.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.964 0.412 . . . . 0.0 110.412 -178.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 84.2 t -63.02 -42.18 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.119 176.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.537 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -58.31 -51.43 69.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.625 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -57.61 -42.44 83.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.159 -178.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -59.46 -48.68 80.7 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.225 -178.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 60' ' ' PHE . 50.6 m-85 -74.6 -41.67 60.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.824 -177.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -57.95 -30.79 66.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.884 0.373 . . . . 0.0 111.34 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.0 ttm105 -88.52 -51.95 5.43 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -89.53 -11.08 43.85 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -168.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.414 ' HD2' ' HA ' ' A' ' 56' ' ' PHE . 98.3 m-85 -130.81 146.69 52.32 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.402 -176.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.2 t -87.41 109.79 19.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 169.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -84.07 110.16 18.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.372 0.606 . . . . 0.0 111.259 -172.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.498 HD11 ' O ' ' A' ' 11' ' ' LEU . 58.5 tp -118.56 143.09 47.01 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.855 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -117.21 132.45 56.63 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.343 175.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.9 tpt -129.97 135.82 48.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.819 0.342 . . . . 0.0 111.287 -175.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -69.18 159.85 32.21 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.947 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 43.3 tpp -98.69 -18.47 18.02 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.229 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -114.73 -51.12 2.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.451 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -73.84 131.53 41.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.969 -175.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.31 -147.99 21.88 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.592 -178.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -89.39 18.6 5.1 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 122.572 -0.369 . . . . 0.0 110.926 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -57.64 -36.96 80.96 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 121.149 -0.548 . . . . 0.0 112.28 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 32.3 m -65.15 -25.57 37.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.011 0.434 . . . . 0.0 111.147 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -75.29 -48.36 23.61 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.92 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.4 mp -60.1 -39.1 84.98 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.729 176.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.84 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 55.8 ttp180 -58.77 -43.43 90.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.02 0.438 . . . . 0.0 110.773 178.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.1 ttmp? -74.64 -30.21 61.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.13 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -74.84 -44.5 48.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.558 -175.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -95.68 -0.19 51.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.374 -175.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.7 58.67 8.06 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.343 178.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.84 ' HB ' ' HG3' ' A' ' 76' ' ' ARG . 84.7 t -92.64 113.43 27.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.036 0.446 . . . . 0.0 111.217 -176.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -120.17 -22.13 6.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.673 174.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.89 177.25 8.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.562 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.706 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 22.8 m-85 -92.49 -53.18 0.27 Allowed Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -172.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.706 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 32.8 Cg_endo -93.69 105.6 0.15 Allowed 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 122.179 1.919 . . . . 0.0 111.823 176.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.8 m -118.79 121.7 40.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.95 0.405 . . . . 0.0 110.874 -177.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 87' ' ' LEU . 6.5 mp -103.84 119.9 39.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.908 -177.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.637 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 1.3 tt -105.52 121.93 44.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.353 -177.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -111.39 118.82 36.88 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 175.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.469 HG22 ' HB2' ' A' ' 27' ' ' LEU . 13.5 tt -135.83 154.33 34.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.449 -178.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -105.34 177.89 4.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.772 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.4 t -62.25 -28.72 69.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.437 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.0 t -68.98 -22.51 64.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.058 0.456 . . . . 0.0 110.527 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 87.35 23.39 40.48 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.627 -0.797 . . . . 0.0 111.786 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -109.71 149.22 30.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.921 0.391 . . . . 0.0 110.124 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.542 HG11 ' HG3' ' A' ' 99' ' ' ARG . 21.5 t -96.4 107.7 20.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.573 -177.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.4 t -71.62 -50.17 41.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 177.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -151.9 136.42 16.91 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.283 0.563 . . . . 0.0 110.952 178.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.542 ' HG3' HG11 ' A' ' 96' ' ' VAL . 13.5 mtm180 -96.98 155.07 16.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.701 174.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 42.8 tp -135.46 107.23 7.01 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.02 0.438 . . . . 0.0 110.445 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.0 m -105.49 101.64 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.705 0.764 . . . . 0.0 110.705 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 117.85 151.49 9.24 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.233 -176.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.633 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -140.67 129.04 22.5 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 122.556 -0.379 . . . . 0.0 110.908 -174.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -102.47 -175.12 2.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.38 -176.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.05 164.96 3.61 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.978 178.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.645 ' HA ' HG12 ' A' ' 46' ' ' VAL . . . -48.22 -56.45 14.04 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -173.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -61.9 -42.32 31.71 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.863 1.709 . . . . 0.0 112.551 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -65.49 -43.07 91.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 -178.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.4 tp -64.86 -47.1 79.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.362 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 48.0 tp -53.98 -49.85 67.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.054 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -70.56 -35.75 73.25 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.046 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 112' ' ' LYS . 51.4 tptt -57.57 -42.78 83.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.026 0.441 . . . . 0.0 110.833 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 117' ' ' VAL . 87.9 t -69.67 -47.31 71.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -63.59 -45.37 90.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.273 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 34.5 tp -71.48 -22.6 61.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.17 0.51 . . . . 0.0 110.498 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.6 -19.2 79.95 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.097 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 113' ' ' VAL . 23.1 t -97.8 -51.04 10.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.933 0.397 . . . . 0.0 110.559 178.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -177.277 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.435 ' HA3' ' HA ' ' A' ' 47' ' ' PHE . . . . . . . . 0 N--CA 1.448 -0.517 0 N-CA-C 112.003 -0.439 . . . . 0.0 112.003 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.534 ' CD1' ' HA ' ' A' ' 53' ' ' ALA . 28.2 mm -59.75 131.41 24.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 177.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -103.43 88.95 3.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.124 176.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.764 ' HB3' ' HB3' ' A' ' 64' ' ' LYS . 53.7 m-85 -74.07 118.31 16.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.299 178.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -97.66 155.61 16.92 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.453 -177.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.39 114.27 17.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.828 0.823 . . . . 0.0 111.667 -179.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.485 ' HG ' ' HB2' ' A' ' 16' ' ' ALA . 1.4 pt? -137.47 165.85 25.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.24 -0.891 . . . . 0.0 108.899 176.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.4 m -57.54 138.7 54.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.31 0.381 . . . . 0.0 110.765 -177.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.634 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 68.7 t80 -50.26 -52.32 55.17 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.123 -177.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.634 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 71.2 Cg_exo -49.98 -43.32 42.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 C-N-CA 122.261 1.974 . . . . 0.0 112.789 174.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -68.34 -43.94 76.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.326 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.485 ' HB2' ' HG ' ' A' ' 11' ' ' LEU . . . -67.02 -41.92 85.79 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.034 -176.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.461 HD11 ' HA2' ' A' ' 94' ' ' GLY . 19.8 tp -62.08 -43.45 98.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.305 0.574 . . . . 0.0 110.069 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -62.95 -43.55 98.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.626 176.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.43 ' HA ' HG22 ' A' ' 22' ' ' VAL . 20.0 tpp180 -61.02 -39.41 89.67 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.894 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.433 ' HB2' ' HG ' ' A' ' 27' ' ' LEU . . . -62.81 -40.51 97.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.022 0.439 . . . . 0.0 110.527 176.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -67.16 -45.49 76.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.198 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.43 HG22 ' HA ' ' A' ' 19' ' ' ARG . 35.4 m -72.41 -25.71 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.857 0.361 . . . . 0.0 111.174 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -84.42 -13.71 51.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 110.392 177.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 65.0 29.35 12.26 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.908 -178.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -126.96 176.31 7.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.956 0.408 . . . . 0.0 110.404 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.469 ' HG ' ' HA ' ' A' ' 91' ' ' ASN . 7.3 mp -101.39 157.53 16.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.285 179.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.508 HD23 ' HB ' ' A' ' 61' ' ' VAL . 72.9 mt -89.03 115.18 26.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.43 178.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.405 ' CZ ' HD12 ' A' ' 87' ' ' LEU . 79.3 t80 -90.81 101.27 14.02 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 172.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.865 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 48.6 t -93.87 113.59 28.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.249 -172.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -79.78 100.98 8.21 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.429 174.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.6 t -103.07 113.29 26.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.455 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -140.1 152.87 46.49 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.19 -177.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.85 155.23 17.49 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.0 m -71.26 -4.75 27.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.063 0.458 . . . . 0.0 111.637 -174.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -74.96 131.36 40.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.908 176.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.4 t -81.05 114.44 19.92 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.42 ' HA3' ' HD2' ' A' ' 38' ' ' PRO . . . -152.55 -131.77 1.71 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.074 -179.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.42 ' HD2' ' HA3' ' A' ' 37' ' ' GLY . 10.1 Cg_endo -54.82 -24.42 38.32 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.353 2.702 . . . . 0.0 112.905 -179.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.4 p -60.12 -30.36 69.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.59 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -62.89 -28.99 70.42 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.833 0.349 . . . . 0.0 110.503 -178.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -73.89 -43.2 59.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.912 177.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.611 ' O ' HG12 ' A' ' 46' ' ' VAL . 58.5 tp -62.56 -48.45 79.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.449 178.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.493 ' HA ' ' CD2' ' A' ' 47' ' ' PHE . 22.3 m -57.65 -29.21 64.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.247 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -75.23 -29.03 60.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.727 -177.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.3 m -100.27 -49.19 11.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -175.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 42' ' ' LEU . 14.1 p -74.04 -26.74 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.945 0.402 . . . . 0.0 111.791 -171.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.493 ' CD2' ' HA ' ' A' ' 43' ' ' SER . 48.0 m-85 -91.47 15.63 11.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.521 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -125.25 -41.86 2.03 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.635 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.418 ' OD2' HG23 ' A' ' 52' ' ' VAL . 26.3 t70 -73.96 118.04 16.45 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.019 0.438 . . . . 0.0 111.02 -177.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.5 m -69.52 -26.28 64.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.91 -175.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.9 tp -69.85 -49.18 55.03 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.606 HG22 HD11 ' A' ' 110' ' ' LEU . 97.5 t -62.06 -39.65 84.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.143 176.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.534 ' HA ' ' CD1' ' A' ' 6' ' ' ILE . . . -56.72 -45.71 81.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.154 178.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -72.41 -41.2 66.5 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.952 0.406 . . . . 0.0 110.798 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -56.53 -52.45 64.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.339 -176.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -75.16 -30.63 60.79 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -178.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -72.14 -40.7 67.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.67 0.271 . . . . 0.0 111.6 -177.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -81.27 -37.34 28.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.599 -174.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -81.25 -36.61 29.72 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -175.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.408 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 82.3 m-85 -129.35 163.29 26.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.957 0.408 . . . . 0.0 111.098 -175.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.508 ' HB ' HD23 ' A' ' 27' ' ' LEU . 46.1 t -85.75 122.01 37.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 174.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -81.12 100.48 9.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.207 0.527 . . . . 0.0 110.578 -176.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.489 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 47.9 tp -119.21 125.74 49.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.201 -178.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.764 ' HB3' ' HB3' ' A' ' 8' ' ' PHE . 13.6 ptmm? -103.73 141.9 35.28 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 176.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 18.7 mmt -137.2 129.29 29.32 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.737 0.303 . . . . 0.0 110.426 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.575 ' O ' ' HA3' ' A' ' 72' ' ' GLY . 2.2 t70 -73.51 157.68 36.31 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 176.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 87.0 mtp -94.55 -12.32 27.78 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.058 -178.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -115.59 -42.68 3.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.791 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -83.33 129.38 34.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -177.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.86 -149.01 21.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.47 176.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 1.1 pm0 -84.48 3.08 37.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.796 0.331 . . . . 0.0 110.502 178.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.575 ' HA3' ' O ' ' A' ' 66' ' ' ASP . . . -57.84 -31.7 64.87 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.477 178.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.453 HG23 ' NH2' ' A' ' 76' ' ' ARG . 6.7 p -60.61 -33.66 55.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 177.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -67.52 -49.63 62.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.115 -179.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.03 -35.4 80.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.642 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.453 ' NH2' HG23 ' A' ' 73' ' ' VAL . 61.4 ttp180 -55.38 -47.6 75.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.423 178.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.419 ' HB3' ' HE3' ' A' ' 77' ' ' LYS . 22.6 ttpp -76.38 -35.16 58.8 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.105 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -66.48 -41.32 89.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.612 -173.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -87.18 -9.06 56.18 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.047 -177.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 62.66 64.39 3.88 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.927 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.416 HG21 ' HG3' ' A' ' 76' ' ' ARG . 32.3 m -72.78 138.75 20.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.214 0.53 . . . . 0.0 112.059 -175.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -133.47 18.59 3.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.425 0.631 . . . . 0.0 109.62 171.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.74 167.75 19.57 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.75 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.699 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 77.7 m-85 -92.36 -51.44 0.28 Allowed Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.307 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.699 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 7.4 Cg_endo -88.48 125.64 1.79 Allowed 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 122.197 1.931 . . . . 0.0 111.547 174.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 64.1 m -139.55 127.79 22.59 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.762 0.315 . . . . 0.0 110.568 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.569 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 3.0 mm? -97.3 117.01 30.57 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.865 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 94.7 mt -106.44 133.43 51.13 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.782 -177.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -116.02 106.24 13.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.833 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 65.1 mt -112.44 121.85 65.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.469 ' HA ' ' HG ' ' A' ' 26' ' ' LEU . 22.4 p-10 -84.21 177.08 8.34 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.509 -176.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.1 m -63.05 -22.26 66.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.26 -176.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.8 m -80.73 -0.21 37.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.197 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.461 ' HA2' HD11 ' A' ' 17' ' ' LEU . . . 72.95 34.3 59.0 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.02 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -124.27 150.87 44.88 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.973 0.415 . . . . 0.0 110.76 -177.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.5 t -78.99 93.55 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.543 176.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 9.2 p -72.05 -34.05 49.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.437 -178.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -154.26 147.23 24.51 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.595 177.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -126.38 128.59 47.28 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 177.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.569 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 47.0 tp -120.11 111.62 18.09 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.41 -178.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 60.8 t -93.81 120.01 42.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.257 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.73 159.59 32.75 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.585 -0.816 . . . . 0.0 111.348 -177.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.426 ' HB1' HD22 ' A' ' 42' ' ' LEU . . . -131.24 138.92 49.54 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.109 0.481 . . . . 0.0 110.658 -178.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -112.55 -175.22 2.62 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.715 -174.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.411 ' HB2' ' HB2' ' A' ' 108' ' ' GLU . 18.5 m-20 -59.86 155.22 16.79 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 173.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.589 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -48.39 -54.04 29.4 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.589 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 24.3 Cg_exo -64.13 -38.0 38.9 Favored 'Trans proline' 0 C--N 1.359 1.098 0 C-N-CA 121.783 1.655 . . . . 0.0 112.219 177.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.411 ' HB2' ' HB2' ' A' ' 105' ' ' ASP . 1.7 tm-20 -65.83 -33.7 76.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.583 -179.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.4 ' O ' HG23 ' A' ' 113' ' ' VAL . 18.9 tp -69.06 -44.03 73.42 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.12 177.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.606 HD11 HG22 ' A' ' 52' ' ' VAL . 94.7 mt -54.88 -47.59 74.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.548 -179.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -65.71 -41.42 92.35 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.128 -0.229 . . . . 0.0 111.379 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -57.17 -46.06 83.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.184 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.403 ' O ' HG22 ' A' ' 117' ' ' VAL . 96.2 t -67.13 -48.9 77.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.701 0.286 . . . . 0.0 110.9 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -58.84 -45.88 88.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.425 -176.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 40.1 tp -77.22 -29.77 54.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.985 0.421 . . . . 0.0 111.049 -178.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -68.22 -42.87 82.27 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.149 -0.548 . . . . 0.0 113.348 -175.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 113' ' ' VAL . 35.3 m -89.39 -3.08 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -176.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.916 0.389 . . . . 0.0 110.943 179.22 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.837 0 CA-C-O 121.137 0.298 . . . . 0.0 112.875 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.468 HG12 ' HA ' ' A' ' 53' ' ' ALA . 25.6 mt -59.95 138.69 20.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 114.951 -0.625 . . . . 0.0 111.165 -178.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -102.68 102.58 12.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.074 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.918 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 80.6 m-85 -90.58 131.33 36.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.107 178.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.459 ' HG3' HD13 ' A' ' 11' ' ' LEU . 15.2 ptp180 -108.66 142.18 39.53 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.711 -177.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -93.41 94.16 8.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.786 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.459 HD13 ' HG3' ' A' ' 9' ' ' ARG . 9.9 mp -122.44 167.36 13.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.545 175.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.2 m -73.83 161.9 29.69 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.499 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 38.3 t80 -62.38 -50.69 78.07 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-O 119.481 -0.295 . . . . 0.0 111.133 -178.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 10.1 Cg_endo -55.31 -42.32 69.59 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 122.036 1.824 . . . . 0.0 112.214 174.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -57.78 -53.99 51.93 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.129 0.49 . . . . 0.0 110.856 177.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.39 -33.2 75.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.109 -177.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.9 tp -64.25 -46.63 82.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.225 0.536 . . . . 0.0 109.835 177.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -61.22 -41.42 96.83 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.901 176.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.7 mmm-85 -60.35 -47.91 84.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.816 175.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.07 -37.35 76.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.98 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -63.14 -47.59 82.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.879 177.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.9 t -70.74 -48.88 55.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.612 -177.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -63.94 -24.99 67.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.988 0.423 . . . . 0.0 109.946 177.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.5 t0 58.98 64.18 1.46 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.555 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -159.77 174.81 13.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.664 -178.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.7 mp -73.6 141.74 46.59 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.226 0.536 . . . . 0.0 111.196 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.535 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 59.5 tp -90.34 122.26 33.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.551 178.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -102.28 111.38 23.65 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.891 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 46.0 t -101.59 117.73 47.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.321 0.582 . . . . 0.0 111.227 -176.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.52 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 11.7 t70 -81.3 112.8 18.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.029 175.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.8 m -122.16 122.63 39.63 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.166 175.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -143.75 155.45 44.19 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.006 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -100.8 152.79 20.08 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 171.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.4 t -66.24 -2.94 4.84 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -176.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -71.83 117.78 13.85 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 175.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.8 p -90.92 88.51 7.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.254 0.55 . . . . 0.0 111.874 -172.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.38 -106.71 1.03 Allowed Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -53.76 -32.47 66.13 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.911 2.407 . . . . 0.0 112.57 175.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.0 t -64.61 -33.54 76.18 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 110.593 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -74.42 -35.43 63.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.945 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 32.3 mtp-105 -62.55 -42.27 99.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.206 0.527 . . . . 0.0 109.985 177.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.582 HD12 HG21 ' A' ' 46' ' ' VAL . 42.1 tp -61.6 -49.52 76.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.408 177.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.61 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 47.9 m -64.42 -29.88 70.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.676 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -66.07 -58.99 4.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.117 -177.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.441 HG23 HG23 ' A' ' 46' ' ' VAL . 14.5 m -95.18 -45.56 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -171.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.582 HG21 HD12 ' A' ' 42' ' ' LEU . 62.1 t -71.01 -39.94 75.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.827 0.346 . . . . 0.0 111.545 -172.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.61 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 59.7 m-85 -81.68 48.55 1.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.088 0.471 . . . . 0.0 111.521 -177.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -147.49 -38.83 0.19 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.289 177.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.543 ' HB3' HG12 ' A' ' 52' ' ' VAL . 29.1 t70 -64.22 130.04 42.31 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -178.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.7 m -67.93 -39.9 83.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.607 -175.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.0 mt -70.24 -48.36 57.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.642 -173.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.564 HG23 HD21 ' A' ' 110' ' ' LEU . 6.1 p -66.45 -39.3 83.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.36 0.6 . . . . 0.0 110.23 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.468 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -62.79 -50.04 72.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.795 177.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -57.51 -44.12 84.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.781 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -54.67 -57.67 10.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.285 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.417 ' HA ' ' HD2' ' A' ' 60' ' ' PHE . 61.8 m-85 -71.52 -37.25 71.22 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -177.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.563 ' HA ' ' ND2' ' A' ' 62' ' ' ASN . 65.4 t30 -69.43 -35.95 76.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.58 0.229 . . . . 0.0 111.417 -175.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -88.25 -48.44 7.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.794 0.33 . . . . 0.0 111.559 -178.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -73.68 -25.84 60.44 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -171.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.417 ' HD2' ' HA ' ' A' ' 56' ' ' PHE . 81.4 m-85 -123.74 154.98 38.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.628 0.252 . . . . 0.0 110.599 -177.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.4 t -89.61 114.1 27.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 170.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.563 ' ND2' ' HA ' ' A' ' 57' ' ' ASN . 41.3 m-80 -90.47 109.19 20.32 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.5 0.667 . . . . 0.0 111.785 -171.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.3 tp -104.25 139.85 38.68 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.548 178.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.918 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 57.5 tttp -121.88 133.11 54.86 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.6 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 51.7 mtt -146.53 157.82 43.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.729 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.631 ' HB3' ' H ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -96.41 160.22 14.53 Favored 'General case' 0 CA--C 1.492 -1.264 0 CA-C-O 121.261 0.553 . . . . 0.0 109.815 172.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 12.4 ptp -103.85 -1.04 28.39 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.88 169.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -113.3 -24.75 9.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.118 0.485 . . . . 0.0 110.362 -177.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.631 ' H ' ' HB3' ' A' ' 66' ' ' ASP . 34.1 mmtp -101.22 146.69 27.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.06 178.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 62.88 -135.42 43.75 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.782 -0.645 . . . . 0.0 113.393 174.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -83.19 10.93 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.055 0.455 . . . . 0.0 110.769 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -58.84 -31.67 68.47 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.632 -0.713 . . . . 0.0 113.125 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.4 m -62.31 -35.7 70.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 116.953 0.377 . . . . 0.0 111.684 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -73.92 -40.6 63.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.839 0.352 . . . . 0.0 110.527 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.476 ' O ' ' HD1' ' A' ' 79' ' ' TYR . 94.8 mt -66.19 -31.25 71.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.111 176.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.873 ' HG3' HG21 ' A' ' 81' ' ' VAL . 19.0 ttm180 -58.16 -55.72 31.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.859 177.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -72.31 -22.37 61.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 110.702 -178.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -64.43 -39.97 94.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.825 178.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.476 ' HD1' ' O ' ' A' ' 75' ' ' LEU . 78.0 m-85 -105.45 -14.63 15.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.436 -176.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 113.34 -49.1 0.87 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.506 -0.854 . . . . 0.0 114.032 169.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.873 HG21 ' HG3' ' A' ' 76' ' ' ARG . 48.0 t 53.58 103.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 122.03 0.919 . . . . 0.0 112.797 -170.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -121.46 -40.89 2.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.167 171.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.54 -167.45 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.17 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.756 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 71.3 m-85 -98.93 -52.4 0.2 Allowed Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.837 -0.165 . . . . 0.0 111.171 176.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.756 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 12.1 Cg_endo -93.01 142.49 2.07 Favored 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 122.329 2.02 . . . . 0.0 112.122 175.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.3 m -147.19 124.8 11.76 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.981 0.419 . . . . 0.0 110.893 178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 2.4 mm? -101.73 119.52 38.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.472 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.891 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 88.9 mt -106.96 130.99 54.53 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.112 0.482 . . . . 0.0 111.546 -175.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -108.91 110.93 22.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.587 175.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.535 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 39.6 mm -112.52 138.29 42.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.761 -176.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -74.83 161.9 29.15 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 174.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.9 p -69.36 -17.0 63.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.101 0.477 . . . . 0.0 110.701 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.4 m -79.45 -9.28 59.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.354 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 85.21 53.93 2.99 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.396 -178.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.85 154.52 38.53 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -179.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 33.5 m -85.93 137.09 21.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.185 0.516 . . . . 0.0 111.39 -174.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.8 t -89.52 -58.57 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.349 175.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -155.56 141.27 18.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.541 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 99' ' ' ARG . 46.1 ttp180 -103.15 113.72 27.43 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.493 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 51.0 tp -99.86 107.51 19.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.923 0.392 . . . . 0.0 110.269 -179.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 30.8 m -98.25 144.46 11.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.523 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 88.85 145.93 12.18 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.813 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 42' ' ' LEU . . . -116.93 115.09 24.8 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.932 0.396 . . . . 0.0 110.373 -178.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -99.22 175.32 5.93 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.726 -178.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -73.76 173.94 9.12 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 175.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.569 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -52.34 -55.16 34.26 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -171.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.569 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 22.8 Cg_exo -63.53 -42.62 20.48 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 121.774 1.649 . . . . 0.0 112.478 -178.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 49.0 tp10 -69.48 -39.62 77.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.693 -177.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 41.6 tp -59.71 -47.31 86.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.075 0.464 . . . . 0.0 110.073 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.564 HD21 HG23 ' A' ' 52' ' ' VAL . 84.8 mt -58.04 -35.02 70.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.124 -0.943 . . . . 0.0 111.047 177.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -66.77 -47.16 73.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.146 0.498 . . . . 0.0 110.116 176.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 108' ' ' GLU . 14.4 mmmm -63.42 -36.98 85.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.767 -176.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.0 p -73.53 -39.92 54.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.082 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -65.33 -55.24 19.34 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.552 0.215 . . . . 0.0 110.999 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.5 -9.23 56.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.475 -176.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -80.74 -28.18 47.8 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.265 178.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 40.5 t -115.07 -52.87 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.698 0.285 . . . . 0.0 110.676 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 . . . . . 0 C--O 1.235 0.293 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.568 178.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.676 0 CA-C-O 121.01 0.228 . . . . 0.0 112.85 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.573 ' HB ' ' CD2' ' A' ' 47' ' ' PHE . 73.6 mt -95.81 114.42 32.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.026 0.441 . . . . 0.0 109.945 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.82 121.56 32.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.084 -176.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.564 ' HE2' ' HE2' ' A' ' 47' ' ' PHE . 57.6 m-85 -94.9 147.77 23.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.275 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 20.4 mtt180 -113.27 144.79 42.13 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -126.36 93.5 3.82 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.88 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.3 mt -114.67 168.04 10.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.428 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 m -58.03 154.22 13.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.809 0.338 . . . . 0.0 110.677 175.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.435 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 74.6 t80 -53.73 -54.76 42.76 Favored Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -176.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 28.9 Cg_endo -62.52 -32.95 79.9 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 121.952 1.768 . . . . 0.0 112.144 178.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -62.89 -49.54 74.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.707 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.03 -42.53 98.64 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.254 -176.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.4 mt -64.33 -46.52 83.14 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.895 0.379 . . . . 0.0 111.03 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -61.64 -46.49 89.57 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.738 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -64.07 -40.14 95.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.089 178.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.466 ' HA ' ' HB2' ' A' ' 24' ' ' ASP . . . -57.16 -48.48 78.62 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.734 177.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.83 -38.52 85.74 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.51 -177.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.8 t -84.66 -57.35 4.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -173.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -109.55 0.35 19.14 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -169.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.466 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 30.7 m-20 -136.23 -149.29 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 177.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -129.04 -78.99 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.513 HD22 ' HA ' ' A' ' 91' ' ' ASN . 92.4 mt -112.06 159.45 18.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.911 0.386 . . . . 0.0 110.946 -177.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.526 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 58.3 tp -95.75 129.89 42.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.279 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -116.67 107.94 15.31 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.655 HG22 HD23 ' A' ' 63' ' ' LEU . 48.5 t -99.3 120.83 49.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 120.937 0.399 . . . . 0.0 110.674 -178.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -90.69 105.04 17.55 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.654 176.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 94.5 m -109.79 113.08 25.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.307 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -126.55 160.91 29.28 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.458 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 m -100.79 164.12 12.0 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 177.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.0 t -64.83 -13.35 55.67 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -176.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -63.24 145.16 56.11 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.751 0.31 . . . . 0.0 110.313 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 56.4 m -92.77 172.37 8.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.846 -176.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.19 -112.25 1.77 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.446 -0.883 . . . . 0.0 113.608 176.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.507 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 10.0 Cg_endo -51.39 -42.56 54.33 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.725 2.95 . . . . 0.0 113.96 -171.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 70.0 m -62.73 -29.87 71.0 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -174.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.431 ' HA ' ' HD2' ' A' ' 40' ' ' LYS . 21.0 tptm -79.42 -35.45 40.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 110.322 178.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.8 mtm105 -63.43 -36.62 84.36 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.27 177.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 38' ' ' PRO . 95.4 mt -55.83 -45.75 78.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.417 176.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.568 ' HA ' ' HB2' ' A' ' 47' ' ' PHE . 16.4 m -58.23 -29.67 65.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.591 -178.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -86.29 -23.77 26.19 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -177.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.42 HG11 ' HB2' ' A' ' 105' ' ' ASP . 45.9 t -109.02 -56.44 4.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -175.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.564 ' HA ' ' HB2' ' A' ' 106' ' ' ALA . 11.9 p -84.78 -33.97 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.389 -175.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.573 ' CD2' ' HB ' ' A' ' 6' ' ' ILE . 58.5 m-85 -80.88 15.91 1.63 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.896 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -106.32 -34.53 7.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.802 0.334 . . . . 0.0 111.412 -176.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.435 ' OD2' ' HB3' ' A' ' 51' ' ' LEU . 36.1 t70 -76.16 124.62 27.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.883 0.373 . . . . 0.0 111.284 -175.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.7 m -67.79 -30.65 70.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.64 -176.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.435 ' HB3' ' OD2' ' A' ' 49' ' ' ASP . 41.4 tp -69.43 -51.99 31.05 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 83.3 t -61.63 -42.27 93.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.418 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.567 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -55.65 -43.48 76.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.098 178.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -72.32 -43.31 64.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -55.02 -48.73 73.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.31 -176.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -78.26 -30.76 48.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.457 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.48 ' HB2' ' O ' ' A' ' 53' ' ' ALA . 21.0 t-20 -61.01 -45.77 93.46 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.01 0.433 . . . . 0.0 111.079 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 58' ' ' ARG . 14.9 mmm180 -90.49 -35.04 15.33 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -175.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -87.92 -18.53 28.95 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -172.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -133.65 157.14 46.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.974 0.416 . . . . 0.0 110.75 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 65.9 t -90.41 110.12 21.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 171.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.519 ' HB3' ' CD1' ' A' ' 8' ' ' PHE . 93.2 m-20 -79.98 103.77 10.1 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.998 -179.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.655 HD23 HG22 ' A' ' 29' ' ' VAL . 48.9 tp -108.11 125.08 51.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.251 -0.432 . . . . 0.0 109.902 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -107.3 124.59 50.0 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 82.9 mtp -136.15 138.19 41.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.81 0.338 . . . . 0.0 111.102 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.418 ' O ' ' HA3' ' A' ' 72' ' ' GLY . 2.6 t70 -89.13 156.92 18.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.56 175.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 60.4 mtt -85.52 -4.11 59.06 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.623 -177.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -112.76 -12.96 13.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.431 0.634 . . . . 0.0 109.93 -178.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -101.62 120.34 40.18 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.431 -176.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.58 -123.91 20.55 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.723 -0.671 . . . . 0.0 113.507 171.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.49 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 1.1 pm0 -93.38 11.28 28.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.625 0.25 . . . . 0.0 110.786 -177.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' A' ' 66' ' ' ASP . . . -59.4 -34.2 79.66 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.385 174.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.3 p -67.28 -34.12 67.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 120.986 0.422 . . . . 0.0 110.955 176.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -71.04 -46.61 61.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.185 178.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.02 -31.26 72.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.161 0.505 . . . . 0.0 110.339 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -59.51 -52.34 65.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.916 178.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -77.05 -31.57 56.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.39 -178.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -63.14 -44.58 95.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.997 -177.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -89.74 -28.29 19.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.636 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 81.03 74.48 1.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.492 176.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.8 p -76.26 134.79 28.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.254 0.549 . . . . 0.0 111.183 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -136.18 21.5 3.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.601 176.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -139.5 -168.23 2.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.716 -176.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.854 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 36.8 m-85 -92.46 -57.63 0.23 Allowed Pre-proline 0 C--N 1.325 -0.476 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.909 175.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.854 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 73.7 Cg_endo -97.58 151.66 0.92 Allowed 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 122.673 2.249 . . . . 0.0 112.641 177.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.6 m -148.84 122.1 8.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.511 174.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.608 HD22 HD23 ' A' ' 100' ' ' LEU . 6.9 mp -99.33 117.35 33.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.891 179.029 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.498 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 3.0 mm? -102.56 136.22 42.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.808 -178.175 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.438 ' HZ ' HG22 ' A' ' 113' ' ' VAL . 93.6 m-85 -118.21 107.04 13.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.849 176.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.526 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 35.7 mm -106.64 127.85 61.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.188 0.518 . . . . 0.0 111.148 -176.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.513 ' HA ' HD22 ' A' ' 26' ' ' LEU . 28.7 p-10 -95.83 -178.15 4.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.985 178.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.0 m -66.72 -18.38 65.34 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.7 m -80.66 -26.15 37.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.873 0.368 . . . . 0.0 110.506 177.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.16 11.61 84.75 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.512 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -96.68 16.04 20.13 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -174.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 27.0 t 67.18 103.87 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 O-C-N 123.693 0.62 . . . . 0.0 111.241 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.8 p -79.07 -31.26 14.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.989 0.423 . . . . 0.0 109.879 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -166.1 146.4 6.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.947 176.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.414 ' HD3' HH11 ' A' ' 99' ' ' ARG . 35.4 ttt180 -125.09 117.81 24.76 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.608 HD23 HD22 ' A' ' 87' ' ' LEU . 57.0 tp -99.22 110.09 22.68 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.088 0.47 . . . . 0.0 110.745 -177.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 46.6 t -94.66 104.71 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.751 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 119.51 151.84 8.95 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -176.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -138.14 114.67 10.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.135 0.467 . . . . 0.0 111.596 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -99.8 -175.41 2.96 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.706 177.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.466 ' OD2' ' HD2' ' A' ' 107' ' ' PRO . 7.3 p-10 -72.12 170.31 14.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.69 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.564 ' HB2' ' HA ' ' A' ' 46' ' ' VAL . . . -45.11 -54.57 13.48 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -171.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.553 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 33.6 Cg_exo -58.8 -53.82 3.43 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.73 1.62 . . . . 0.0 112.982 -174.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -76.02 -23.09 55.16 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.494 ' O ' HG23 ' A' ' 113' ' ' VAL . 24.6 tp -66.04 -51.92 53.81 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.2 tp -59.18 -33.16 70.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.307 177.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -58.88 -48.78 80.18 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.509 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -70.15 -37.73 75.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.25 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.542 ' O ' HG23 ' A' ' 117' ' ' VAL . 70.4 t -61.47 -53.08 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.646 0.26 . . . . 0.0 111.019 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 118' ' ' GLU . 27.4 mtpp -66.21 -54.73 21.67 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -176.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 89.5 mt -73.37 -14.2 61.23 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -175.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -82.78 -31.25 30.07 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.548 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 113' ' ' VAL . 69.7 t -79.05 -30.61 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 111.042 -178.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 114' ' ' LYS . 7.1 pt-20 . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 120.877 0.37 . . . . 0.0 111.166 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 120.735 0.302 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -140.59 112.39 7.57 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.192 0.52 . . . . 0.0 110.646 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.12 130.8 18.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.68 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -116.63 -167.8 1.35 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.81 -131.8 1.78 Allowed Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.137 -1.03 . . . . 0.0 112.912 -175.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.509 HG12 ' HA ' ' A' ' 53' ' ' ALA . 45.8 mt -63.17 126.11 20.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.231 -0.485 . . . . 0.0 110.966 -178.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -130.51 111.34 12.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 176.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -80.34 138.14 36.67 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.446 -176.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -86.21 163.08 17.99 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 175.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -126.8 111.61 14.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.914 0.388 . . . . 0.0 111.225 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.411 HD12 HD13 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -143.19 164.96 28.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.399 175.187 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.442 ' HB2' ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -70.54 166.13 21.21 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -174.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.664 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 17.5 t80 -53.34 -54.18 48.01 Favored Pre-proline 0 CA--C 1.543 0.705 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.107 -175.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.664 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 32.3 Cg_exo -58.8 -42.81 49.35 Favored 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 121.912 1.741 . . . . 0.0 112.19 178.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -62.87 -35.98 81.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.096 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.69 -54.57 40.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.278 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.79 -43.97 97.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.279 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -61.85 -44.2 97.31 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.291 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.569 ' HA ' HG12 ' A' ' 22' ' ' VAL . 22.1 tpt180 -68.32 -38.41 81.54 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.117 -177.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.627 ' HA ' HG21 ' A' ' 61' ' ' VAL . . . -57.27 -48.25 79.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.373 . . . . 0.0 110.368 176.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -63.93 -44.0 94.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.612 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.569 HG12 ' HA ' ' A' ' 19' ' ' ARG . 12.5 p -78.52 -35.52 19.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -174.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -78.62 -37.43 42.24 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 122.102 -0.374 . . . . 0.0 111.054 -176.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -174.02 -79.71 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.689 0 CA-C-O 121.335 0.588 . . . . 0.0 110.956 175.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.902 ' HG2' ' HG ' ' A' ' 26' ' ' LEU . 38.5 ttmt 176.51 151.03 0.15 Allowed 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.365 -173.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.902 ' HG ' ' HG2' ' A' ' 25' ' ' LYS . 89.0 mt 72.52 142.05 0.06 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.848 0.832 . . . . 0.0 112.241 170.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.676 ' HB3' HG23 ' A' ' 90' ' ' ILE . 21.5 tp -123.24 122.27 37.97 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.026 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -96.92 101.1 12.62 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 176.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.731 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 41.5 t -93.12 105.88 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.184 -173.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -85.52 103.05 14.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.887 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 62.9 m -99.55 119.53 38.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.736 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -123.91 157.05 35.15 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.717 -177.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.647 HG22 ' H ' ' A' ' 35' ' ' TRP . 93.6 m -98.67 148.98 23.28 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.425 176.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 m -53.47 -21.19 5.75 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.443 0.64 . . . . 0.0 111.4 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.647 ' H ' HG22 ' A' ' 33' ' ' THR . 55.0 t-105 -54.02 -33.67 57.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.097 -0.956 . . . . 0.0 112.109 178.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 35' ' ' TRP . 41.1 t 69.7 -89.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.528 -173.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.443 ' O ' ' HG2' ' A' ' 40' ' ' LYS . . . 54.37 -115.51 5.34 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.449 -0.405 . . . . 0.0 113.302 176.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' HA3' ' A' ' 37' ' ' GLY . 53.2 Cg_exo -54.96 -24.68 40.54 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.622 2.881 . . . . 0.0 113.641 -177.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.1 t -52.69 -41.97 64.37 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.863 0.364 . . . . 0.0 111.342 -178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.469 ' HB2' ' HE3' ' A' ' 40' ' ' LYS . 17.3 ptmt -79.0 -23.24 44.53 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.384 -178.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 41' ' ' ARG . 11.4 ttm180 -64.68 -49.38 71.18 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.6 mp -62.32 -37.95 87.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.856 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.594 ' O ' ' HB2' ' A' ' 47' ' ' PHE . 7.6 t -62.39 -29.29 70.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.571 177.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -73.26 -56.54 4.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.432 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.0 t -89.59 -52.5 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -171.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.449 HG22 ' HB2' ' A' ' 106' ' ' ALA . 41.3 t -71.25 -37.22 65.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.876 0.37 . . . . 0.0 111.275 -173.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.594 ' HB2' ' O ' ' A' ' 43' ' ' SER . 4.6 m-30 -80.68 32.5 0.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.296 -177.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -127.63 -16.83 4.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.02 0.438 . . . . 0.0 110.145 174.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -88.71 121.98 31.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.496 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 m -69.41 -37.38 77.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.735 -177.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.2 tt -68.82 -50.95 45.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.575 0.226 . . . . 0.0 110.56 -175.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.2 t -61.61 -40.15 85.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.086 0.469 . . . . 0.0 110.306 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.509 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -64.42 -47.42 79.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.024 177.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -58.91 -45.49 90.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.197 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -58.28 -43.88 88.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.432 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -69.56 -52.27 27.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.184 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -66.15 -30.78 71.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 112.099 -173.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -89.03 -44.03 10.68 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.966 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -83.22 -9.78 58.95 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -173.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -140.6 169.74 17.08 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.627 HG21 ' HA ' ' A' ' 20' ' ' ALA . 89.4 t -104.89 121.25 56.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 169.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -85.94 142.44 28.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.151 0.5 . . . . 0.0 111.691 -171.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.411 HD13 HD12 ' A' ' 11' ' ' LEU . 39.0 tp -150.1 126.09 10.54 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.642 179.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -91.23 116.43 28.81 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 171.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.8 tpt -102.86 132.66 48.9 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 120.919 0.39 . . . . 0.0 110.545 -175.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.441 ' HB3' ' O ' ' A' ' 69' ' ' LYS . 0.8 OUTLIER -73.28 157.03 37.84 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.182 178.715 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 73.6 mmm -128.27 -5.91 5.41 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.077 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -115.94 -32.83 5.29 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.55 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 66' ' ' ASP . 60.7 mttm -121.26 176.86 5.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.623 175.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 60.47 48.94 83.68 Favored Glycine 0 CA--C 1.518 0.263 0 CA-C-N 115.91 -0.586 . . . . 0.0 114.042 171.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 64.5 19.07 11.68 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 122.714 0.406 . . . . 0.0 111.516 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.44 -31.79 71.2 Favored Glycine 0 C--N 1.331 0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.883 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.7 m -54.76 -35.71 34.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -69.6 -47.47 63.41 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.178 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.7 mt -66.81 -35.45 80.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.065 0.46 . . . . 0.0 110.115 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.404 ' HG3' HG11 ' A' ' 81' ' ' VAL . 61.4 ttp180 -58.9 -49.32 78.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.862 178.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -76.99 -37.78 54.46 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.226 -175.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -80.45 -34.05 36.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.109 -172.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.647 ' HD2' ' HD3' ' A' ' 99' ' ' ARG . 69.0 m-85 -97.51 1.93 49.6 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.71 0.291 . . . . 0.0 111.626 -177.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 63.55 76.51 0.27 Allowed Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.738 -0.664 . . . . 0.0 113.866 172.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.404 HG11 ' HG3' ' A' ' 76' ' ' ARG . 9.0 p -77.42 143.27 13.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -126.79 -32.13 2.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.737 0.303 . . . . 0.0 111.273 -178.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.21 -148.12 0.34 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.301 -179.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.667 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 24.5 m-85 -91.95 -53.73 0.27 Allowed Pre-proline 0 CA--C 1.539 0.522 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -172.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.667 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 29.2 Cg_endo -96.09 123.79 0.28 Allowed 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.827 2.351 . . . . 0.0 113.02 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.0 m -134.19 126.26 29.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.304 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.69 HD12 HD23 ' A' ' 100' ' ' LEU . 90.7 mt -107.49 124.43 49.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.995 0.426 . . . . 0.0 110.661 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.731 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 78.1 mt -109.86 120.43 42.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.783 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -97.54 106.67 19.03 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 175.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.676 HG23 ' HB3' ' A' ' 27' ' ' LEU . 16.8 tt -125.71 139.94 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-O 121.173 0.511 . . . . 0.0 111.134 -172.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -77.89 168.1 20.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.019 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.4 m -67.5 -19.05 65.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.105 0.478 . . . . 0.0 110.699 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.5 m -72.05 -14.64 61.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.953 177.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 92.62 19.16 38.66 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.851 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -114.35 137.39 51.87 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.562 ' HA ' ' HA ' ' A' ' 90' ' ' ILE . 26.9 m -86.91 144.6 8.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.97 0.414 . . . . 0.0 110.356 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 34.7 m -97.71 -23.56 4.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.232 177.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -165.14 136.25 4.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.152 -177.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.647 ' HD3' ' HD2' ' A' ' 79' ' ' TYR . 52.0 mtm180 -108.78 114.18 27.75 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.89 174.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.69 HD23 HD12 ' A' ' 87' ' ' LEU . 53.9 tp -91.82 107.03 18.92 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.138 0.494 . . . . 0.0 109.916 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 59.1 t -97.46 103.45 14.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.13 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 115.8 173.49 17.36 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.655 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -134.92 132.03 37.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.031 0.444 . . . . 0.0 110.275 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -119.89 -178.52 3.66 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.79 157.64 34.29 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.104 -0.239 . . . . 0.0 110.473 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.449 ' HB2' HG22 ' A' ' 46' ' ' VAL . . . -43.89 -56.26 7.77 Favored Pre-proline 0 N--CA 1.474 0.725 0 N-CA-C 114.258 1.207 . . . . 0.0 114.258 -171.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.04 -39.45 80.2 Favored 'Trans proline' 0 C--N 1.357 0.999 0 C-N-CA 121.982 1.788 . . . . 0.0 112.273 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -69.7 -39.56 76.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.344 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.52 ' O ' HG23 ' A' ' 113' ' ' VAL . 0.8 OUTLIER -62.52 -50.37 71.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.765 179.643 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.1 tp -58.41 -37.4 75.28 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.222 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -64.31 -48.1 76.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.489 178.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -60.62 -34.48 74.31 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.248 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 109' ' ' LEU . 82.8 t -60.41 -50.69 79.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.622 177.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -65.25 -45.38 84.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.218 -178.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.66 -25.82 68.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.302 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -79.02 -40.95 15.13 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.588 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 48.6 t -80.61 -40.57 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.078 0.466 . . . . 0.0 110.639 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -127.68 86.4 2.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.873 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.1 m -78.64 117.22 19.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.587 -175.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -93.0 162.14 14.17 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 174.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.782 0 CA-C-O 118.892 -0.949 . . . . 0.0 111.935 -178.613 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -96.52 124.85 40.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.865 0.364 . . . . 0.0 110.444 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -101.76 101.76 12.3 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.066 0.46 . . . . 0.0 110.591 178.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -101.2 -11.8 19.24 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.836 177.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 78.24 -149.41 33.99 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.57 -0.741 . . . . 0.0 113.158 174.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.599 HG12 ' HA ' ' A' ' 47' ' ' PHE . 20.4 mm -86.48 138.64 18.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.675 0.274 . . . . 0.0 110.339 -178.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -116.41 109.79 17.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.072 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.809 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 46.7 m-85 -100.83 146.39 27.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.14 0.495 . . . . 0.0 111.496 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.447 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -108.94 147.29 32.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.335 173.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -121.12 94.98 4.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.994 0.426 . . . . 0.0 111.021 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.402 ' H ' HD11 ' A' ' 63' ' ' LEU . 3.4 mm? -126.61 167.46 15.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.357 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.8 m -75.82 159.64 30.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.988 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.606 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 91.3 t80 -52.13 -53.05 56.41 Favored Pre-proline 0 CA--C 1.539 0.529 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.606 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 71.6 Cg_exo -48.48 -49.88 13.55 Favored 'Trans proline' 0 C--N 1.358 1.068 0 C-N-CA 122.203 1.936 . . . . 0.0 112.806 176.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -61.24 -46.9 88.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.377 178.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.5 -42.89 79.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.795 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.481 ' HA ' HD21 ' A' ' 27' ' ' LEU . 39.0 tp -67.92 -53.31 27.42 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.536 0.684 . . . . 0.0 110.207 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -56.84 -49.51 75.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.638 -1.165 . . . . 0.0 111.648 -177.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -65.63 -39.77 91.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.755 -177.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.41 -33.76 76.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.672 0.272 . . . . 0.0 111.017 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.07 -40.69 82.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.661 0.267 . . . . 0.0 110.788 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.678 HG23 ' HG3' ' A' ' 23' ' ' GLU . 30.4 m -86.17 -34.71 8.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -175.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.678 ' HG3' HG23 ' A' ' 22' ' ' VAL . 45.7 mt-10 -108.51 -36.97 6.07 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -173.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.518 ' CG ' ' H ' ' A' ' 25' ' ' LYS . 10.3 t70 -118.2 -148.44 0.42 Allowed 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.201 -0.6 . . . . 0.0 112.532 -164.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.518 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 43.9 tttm -126.53 -51.57 1.49 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.687 -165.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 50.1 mt -148.95 157.45 43.43 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.522 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.481 HD21 ' HA ' ' A' ' 17' ' ' LEU . 8.6 mp -87.26 111.17 20.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.234 176.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.476 ' HB3' ' O ' ' A' ' 61' ' ' VAL . 82.8 t80 -110.06 114.78 28.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 178.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.822 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 98.4 t -107.36 121.19 59.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.864 0.364 . . . . 0.0 111.133 -179.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -87.83 108.97 19.41 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.026 173.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.498 ' SG ' ' HG2' ' A' ' 67' ' ' MET . 51.5 t -115.04 113.77 24.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.145 -178.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.493 ' CE1' ' HE3' ' A' ' 64' ' ' LYS . 21.4 p90 -123.68 159.85 28.46 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.312 -0.403 . . . . 0.0 109.917 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 m -99.3 155.1 17.68 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.8 m -62.12 -16.57 53.42 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -174.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -60.68 132.98 55.59 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.954 0.407 . . . . 0.0 111.19 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.9 m -80.61 107.37 13.36 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.712 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.44 ' HA3' ' HD2' ' A' ' 38' ' ' PRO . . . -154.26 -123.46 0.89 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.419 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.554 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 9.5 Cg_endo -52.32 -36.88 70.05 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.403 2.735 . . . . 0.0 112.633 -178.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.6 p -54.24 -37.25 64.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.585 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -74.01 -37.23 64.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.773 -177.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -70.94 -40.31 72.1 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 38' ' ' PRO . 94.3 mt -56.6 -42.67 79.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.964 176.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' ' 47' ' ' PHE . 50.1 m -59.55 -28.61 67.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.667 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -84.7 -47.71 10.18 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -177.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.554 HG13 HG23 ' A' ' 46' ' ' VAL . 7.4 p -95.64 -53.15 8.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.127 0.489 . . . . 0.0 112.103 -174.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.554 HG23 HG13 ' A' ' 45' ' ' VAL . 58.0 t -67.47 -42.38 87.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.194 -177.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.599 ' HA ' HG12 ' A' ' 6' ' ' ILE . 3.6 m-85 -81.58 29.26 0.38 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.175 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -134.73 -28.82 1.2 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 176.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -72.85 130.98 41.66 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.374 -176.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.7 m -69.81 -40.31 76.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.486 -177.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.94 -51.27 68.79 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.817 0.342 . . . . 0.0 110.666 -177.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.534 HG11 HG13 ' A' ' 46' ' ' VAL . 93.7 t -60.07 -45.79 95.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.908 178.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.479 ' HA ' HD13 ' A' ' 6' ' ' ILE . . . -60.03 -51.17 70.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.471 -178.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -63.99 -39.02 93.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.75 -176.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -61.84 -58.68 7.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.907 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -61.7 -46.24 90.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.79 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -71.05 -49.01 49.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -172.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -79.47 -24.3 42.47 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -170.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -95.55 -25.23 16.27 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 89.7 m-85 -142.9 163.68 32.14 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 121.18 -0.208 . . . . 0.0 111.074 -177.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.476 ' O ' ' HB3' ' A' ' 28' ' ' PHE . 85.4 t -78.78 118.16 25.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.506 176.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.582 ' N ' HD22 ' A' ' 62' ' ' ASN . 0.8 OUTLIER -88.89 94.94 10.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.157 178.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.717 HD23 HG22 ' A' ' 29' ' ' VAL . 52.9 tp -96.9 125.93 41.68 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.965 0.412 . . . . 0.0 110.18 -178.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.809 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 48.2 tptt -100.62 122.03 42.6 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.7 mtt -132.39 158.09 42.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.543 0.687 . . . . 0.0 111.824 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.87 156.26 17.63 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.143 175.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.498 ' HG2' ' SG ' ' A' ' 31' ' ' CYS . 66.1 mtp -78.42 -19.4 53.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.945 0.402 . . . . 0.0 110.388 -179.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 45.1 mt-10 -141.83 132.88 26.1 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 176.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 68' ' ' GLU . 10.4 mtmp? 76.56 111.85 0.07 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.406 1.066 . . . . 0.0 110.356 -170.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.17 46.27 1.37 Allowed Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.916 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 66.11 14.07 9.44 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.329 0.652 . . . . 0.0 111.56 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.44 -35.91 59.5 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.503 -177.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.3 p -60.71 -36.69 72.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 120.69 0.281 . . . . 0.0 110.955 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.545 ' O ' ' HB2' ' A' ' 78' ' ' LYS . 0.3 OUTLIER -66.67 -49.99 64.38 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.799 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.9 mt -60.02 -38.14 81.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.56 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -61.14 -50.03 74.86 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.863 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HE3' ' HB2' ' A' ' 77' ' ' LYS . 3.6 tppp? -72.07 -28.16 63.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.505 0.669 . . . . 0.0 110.151 -178.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.545 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 28.8 tttp -65.92 -49.31 68.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.602 -175.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.401 ' CE1' HG11 ' A' ' 96' ' ' VAL . 18.8 m-85 -105.22 -27.68 11.41 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -173.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.85 51.32 15.5 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.483 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.7 m -77.56 156.84 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.51 0.195 . . . . 0.0 110.996 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -143.01 18.3 1.95 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.822 0.344 . . . . 0.0 111.651 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.09 -178.21 3.58 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.879 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 95.2 m-85 -92.53 -58.19 0.23 Allowed Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.607 176.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.879 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 38.2 Cg_endo -98.45 119.89 0.13 Allowed 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 122.621 2.214 . . . . 0.0 112.129 175.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.2 m -128.48 139.86 52.12 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.761 0.315 . . . . 0.0 111.005 -177.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.529 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 72.8 mt -108.86 113.07 25.69 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.822 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 87.6 mt -98.94 120.33 39.21 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.501 -177.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -110.66 127.67 55.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.558 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.407 ' HB ' ' HB2' ' A' ' 27' ' ' LEU . 66.7 mt -131.58 136.41 57.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 177.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -95.44 178.53 5.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.494 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.3 m -63.14 -19.01 64.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.288 -173.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.0 m -74.96 -11.34 60.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.671 0.272 . . . . 0.0 111.129 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 86.16 22.65 47.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.422 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -127.43 154.58 44.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.887 0.375 . . . . 0.0 110.833 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.401 HG11 ' CE1' ' A' ' 79' ' ' TYR . 6.3 p -91.7 127.83 43.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.799 174.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 47.5 t -92.95 -48.04 13.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.093 0.473 . . . . 0.0 110.073 178.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.425 ' HE2' HD23 ' A' ' 100' ' ' LEU . 91.7 t80 -134.73 136.19 42.49 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.837 -178.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -102.1 124.72 48.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.021 177.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 2.8 tm? -104.22 107.56 18.53 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 19.1 m -103.21 136.0 38.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.666 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.41 119.05 0.94 Allowed Glycine 0 N--CA 1.443 -0.891 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.281 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.5 ' H ' ' HG2' ' A' ' 85' ' ' PRO . . . -101.43 146.47 27.58 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.334 -0.433 . . . . 0.0 110.176 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.446 ' HG3' ' HG3' ' A' ' 108' ' ' GLU . 26.3 mm-40 -117.83 -174.71 2.69 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.28 -178.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.27 158.58 13.92 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 170.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.616 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -44.26 -57.19 6.7 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -171.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.616 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 25.2 Cg_exo -63.44 -40.16 32.8 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 121.658 1.572 . . . . 0.0 112.851 -177.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.446 ' HG3' ' HG3' ' A' ' 104' ' ' GLU . 45.2 tp10 -70.46 -38.81 74.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.523 -177.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 103' ' ' ALA . 37.0 tp -64.36 -45.77 86.31 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 120.987 0.422 . . . . 0.0 110.001 177.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 69.6 mt -52.49 -38.73 60.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.343 176.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.567 ' HG2' ' O ' ' A' ' 107' ' ' PRO . 34.7 mmtp -61.5 -48.33 81.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.411 177.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.515 ' HB3' HD21 ' A' ' 100' ' ' LEU . 54.9 mtpt -64.67 -40.12 94.86 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.321 -178.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 109' ' ' LEU . 89.4 t -67.18 -47.58 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.674 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -63.79 -38.95 93.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.573 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 115' ' ' LEU . 2.7 tm? -77.6 -22.64 50.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.486 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -86.24 -38.15 8.61 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.42 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.1 t -82.44 -47.7 18.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.825 0.312 . . . . 0.0 110.92 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.35 142.27 41.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.424 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 17.4 t -65.94 -43.12 88.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.58 -176.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -132.63 -70.19 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.798 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.905 0 CA-C-O 119.146 -0.808 . . . . 0.0 111.356 -178.475 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.667 0.27 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -86.88 115.55 24.36 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.44 -38.96 2.06 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 -178.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.0 19.45 11.76 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.614 0.571 . . . . 0.0 110.559 -175.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 122.69 -168.44 15.05 Favored Glycine 0 N--CA 1.44 -1.052 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.743 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.3 mt -85.85 121.43 37.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.923 0.392 . . . . 0.0 110.363 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.52 90.87 4.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.057 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -83.92 126.95 33.49 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.235 174.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.431 ' O ' HD12 ' A' ' 63' ' ' LEU . 53.6 mtp180 -92.98 160.33 14.93 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 177.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -125.44 93.87 3.98 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 176.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.8 mt -125.63 161.51 27.06 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.421 -175.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.5 m -69.88 162.81 27.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.748 176.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.657 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 57.5 t80 -57.84 -52.77 71.98 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.062 -177.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.657 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 31.8 Cg_exo -55.51 -45.74 37.39 Favored 'Trans proline' 0 C--N 1.36 1.176 0 C-N-CA 121.934 1.756 . . . . 0.0 112.225 175.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.27 -54.22 49.29 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.878 -177.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.08 -49.24 78.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.652 -176.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.502 ' CD2' ' HG ' ' A' ' 27' ' ' LEU . 41.4 mt -61.37 -53.59 54.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.212 -177.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -65.27 -42.27 93.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.727 -173.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -60.89 -39.53 89.6 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-O 120.992 0.425 . . . . 0.0 110.053 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.95 ' HA ' ' HB2' ' A' ' 24' ' ' ASP . . . -69.37 -42.19 75.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.638 178.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -58.98 -35.4 73.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.257 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.6 t -88.04 -54.95 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -105.11 -33.79 8.16 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -171.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.95 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 23.4 m-20 -100.38 -156.97 0.58 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.821 -171.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -120.19 -90.45 0.58 Allowed 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.553 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.9 mt -103.9 162.27 13.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.99 0.424 . . . . 0.0 111.711 -172.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.559 ' HB2' ' HB ' ' A' ' 90' ' ' ILE . 3.5 mm? -97.36 123.7 41.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.688 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -113.67 106.55 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 174.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.857 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 21.9 t -100.88 112.03 32.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.479 -176.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -93.94 100.66 12.78 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.425 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.5 m -106.67 113.39 26.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.455 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -125.27 158.76 33.32 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.122 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.6 p -99.37 157.98 16.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.384 0.611 . . . . 0.0 111.127 177.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.2 p -90.5 16.56 8.71 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.283 -0.872 . . . . 0.0 110.449 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -55.55 -68.67 0.18 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.977 -1.01 . . . . 0.0 112.271 -172.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.7 p -121.89 -73.44 0.65 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.679 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.665 ' H ' ' HD3' ' A' ' 38' ' ' PRO . . . 171.67 49.64 0.04 OUTLIER Glycine 0 CA--C 1.523 0.567 0 C-N-CA 120.728 -0.748 . . . . 0.0 113.922 174.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.665 ' HD3' ' H ' ' A' ' 37' ' ' GLY . 23.8 Cg_exo -64.73 -34.43 50.56 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.105 1.87 . . . . 0.0 111.804 176.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.5 t -65.65 -31.95 73.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.155 0.502 . . . . 0.0 109.886 177.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -72.73 -31.31 64.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.057 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -61.18 -48.93 79.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.169 173.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.3 mt -66.36 -21.22 66.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.76 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.586 ' HA ' ' HB2' ' A' ' 47' ' ' PHE . 37.2 t -65.51 -28.84 69.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.176 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.519 ' HG3' HG23 ' A' ' 45' ' ' VAL . 27.3 tptp -58.81 -66.47 0.49 Allowed 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.927 0.344 . . . . 0.0 111.927 -177.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.519 HG23 ' HG3' ' A' ' 44' ' ' LYS . 58.5 t -108.21 -50.29 7.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.645 0.26 . . . . 0.0 111.314 -176.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.5 t -55.2 -50.62 62.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.517 -172.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.586 ' HB2' ' HA ' ' A' ' 43' ' ' SER . 20.4 m-30 -85.52 17.58 3.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.76 -176.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -130.82 -0.51 4.26 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -86.32 122.21 29.97 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.3 m -70.13 -42.71 72.23 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -177.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.6 tp -65.78 -47.59 74.65 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.814 0.34 . . . . 0.0 111.147 -175.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.4 t -66.77 -35.43 74.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.693 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.12 -44.9 94.54 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 178.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -58.82 -43.05 90.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.406 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -61.36 -45.84 92.72 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.487 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -65.95 -47.01 76.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.409 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -31.09 70.87 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.204 0.526 . . . . 0.0 111.196 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -76.62 -41.97 44.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.172 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -85.84 -41.73 14.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -174.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -132.06 174.95 9.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.051 0.453 . . . . 0.0 110.691 -173.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 22.1 m -95.05 125.07 47.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 166.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -85.23 98.81 10.71 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.154 0.502 . . . . 0.0 110.532 -177.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 9' ' ' ARG . 44.0 tp -116.82 125.46 51.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.577 -177.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -94.29 131.97 39.36 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 174.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.0 tpt -133.1 116.02 15.8 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.831 0.348 . . . . 0.0 110.413 -178.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -70.55 141.1 51.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.121 0.486 . . . . 0.0 110.002 176.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.7 ttp -94.55 6.09 49.87 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.979 -172.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -120.86 8.14 10.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.686 176.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -124.85 150.93 45.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.151 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 57.84 -128.85 48.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.645 178.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 0.9 OUTLIER -92.86 9.9 33.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.896 0.379 . . . . 0.0 110.255 176.521 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.474 ' HA2' HD12 ' A' ' 75' ' ' LEU . . . -61.39 -33.52 84.9 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.338 178.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.425 ' O ' ' HB3' ' A' ' 76' ' ' ARG . 7.8 p -65.89 -36.82 78.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.261 0.553 . . . . 0.0 109.809 176.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 23.4 mm-40 -65.84 -43.65 87.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.822 175.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.505 HD23 ' HD2' ' A' ' 78' ' ' LYS . 75.3 mt -57.63 -36.12 71.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.412 176.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' A' ' 73' ' ' VAL . 14.3 ttm180 -57.85 -42.82 85.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.251 177.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -76.55 -28.58 56.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.056 177.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.505 ' HD2' HD23 ' A' ' 75' ' ' LEU . 68.0 mttm -74.72 -48.67 24.56 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -175.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -100.88 0.6 38.79 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -171.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.08 70.51 0.95 Allowed Glycine 0 C--N 1.33 0.24 0 O-C-N 123.418 0.449 . . . . 0.0 113.178 174.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.5 p -60.39 137.7 22.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.109 0.48 . . . . 0.0 110.797 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -122.01 -48.41 2.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.56 178.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -90.13 -159.39 0.6 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.313 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.852 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 44.7 m-85 -91.62 -54.27 0.27 Allowed Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.773 -0.194 . . . . 0.0 110.561 178.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.852 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 4.1 Cg_endo -89.88 140.42 3.46 Favored 'Trans proline' 0 N--CA 1.451 -0.989 0 C-N-CA 122.239 1.959 . . . . 0.0 111.652 173.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 47.2 m -133.77 110.38 9.76 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.995 0.426 . . . . 0.0 110.359 177.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.551 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 6.9 mp -83.9 122.04 28.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.656 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.857 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 79.7 mt -114.42 135.66 53.85 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -178.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.473 ' CZ ' HG23 ' A' ' 113' ' ' VAL . 53.2 m-85 -121.25 109.35 14.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.052 -177.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.559 ' HB ' ' HB2' ' A' ' 27' ' ' LEU . 68.8 mt -108.66 131.71 58.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.896 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -94.69 177.66 5.84 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 m -60.3 -30.0 69.2 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.002 0.43 . . . . 0.0 111.173 -177.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.2 t -81.82 -11.93 58.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.468 -176.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.64 25.4 62.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.311 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -99.91 150.67 22.16 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 44.0 t -78.17 101.4 3.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.95 0.405 . . . . 0.0 110.184 -178.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.2 t -77.33 -57.27 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.601 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -146.03 143.35 29.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.145 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.421 ' HD3' HH11 ' A' ' 99' ' ' ARG . 2.5 ptm180 -120.84 130.17 53.84 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 175.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.551 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 4.2 tt -129.36 110.88 12.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.817 0.342 . . . . 0.0 110.205 -174.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.6 m -103.9 120.62 54.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.123 0.487 . . . . 0.0 110.466 176.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.12 160.81 13.67 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.759 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -135.78 132.8 37.21 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.945 0.402 . . . . 0.0 110.653 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.596 ' HG2' ' HD2' ' A' ' 112' ' ' LYS . 69.4 mm-40 -94.45 -175.71 3.71 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.328 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.561 ' HB3' ' HD2' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -67.87 165.13 18.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.958 173.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.543 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -47.66 -52.24 39.49 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -177.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.561 ' HD2' ' HB3' ' A' ' 105' ' ' ASP . 33.0 Cg_exo -61.01 -45.73 18.61 Favored 'Trans proline' 0 C--N 1.358 1.036 0 C-N-CA 121.775 1.65 . . . . 0.0 112.389 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.59 -26.32 60.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.64 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.401 ' O ' HG12 ' A' ' 113' ' ' VAL . 0.3 OUTLIER -55.79 -46.31 78.0 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.472 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.9 tp -66.84 -41.82 86.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.135 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -69.21 -41.38 77.15 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.474 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.596 ' HD2' ' HG2' ' A' ' 104' ' ' GLU . 28.9 tttp -63.32 -44.48 94.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.75 -176.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.473 HG23 ' CZ ' ' A' ' 89' ' ' PHE . 7.9 p -70.71 -38.63 73.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.633 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -64.73 -52.66 55.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.809 0.338 . . . . 0.0 110.592 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 43.7 tp -68.7 -26.56 65.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -76.62 -47.01 10.59 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.647 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 90.4 t -72.3 -35.66 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.62 0.248 . . . . 0.0 111.014 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -82.22 93.5 7.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.92 0.391 . . . . 0.0 110.755 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 25.0 m -106.43 108.2 19.6 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 174.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -85.82 148.51 25.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.982 -176.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.865 0 CA-C-O 118.55 -1.139 . . . . 0.0 111.643 178.692 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 120.724 0.297 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -124.53 173.31 8.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 175.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.0 -48.53 6.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.141 0.496 . . . . 0.0 110.082 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -83.95 103.52 13.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.673 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.22 117.92 3.17 Favored Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 -172.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.552 HG12 ' HA ' ' A' ' 53' ' ' ALA . 49.5 mt -59.7 119.29 3.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.022 0.439 . . . . 0.0 111.342 -174.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.55 94.9 5.06 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.231 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -71.56 129.86 39.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.451 177.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 9' ' ' ARG . 16.6 mmm-85 -78.11 136.75 37.93 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.913 -176.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -101.73 96.17 6.91 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 172.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.6 mt -135.74 167.48 21.07 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.734 -175.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.402 ' HB3' ' CG ' ' A' ' 15' ' ' GLU . 28.1 t -79.29 163.5 24.87 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 174.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.513 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 50.9 t80 -54.63 -60.15 8.58 Favored Pre-proline 0 CA--C 1.544 0.714 0 O-C-N 123.265 0.353 . . . . 0.0 111.778 -176.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.513 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 34.3 Cg_endo -65.34 -36.59 34.73 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 121.845 1.697 . . . . 0.0 112.156 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.581 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 34.4 mm-40 -58.52 -54.67 44.43 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.069 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.21 89.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.4 -174.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.6 tp -58.24 -53.47 57.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.296 0.57 . . . . 0.0 110.382 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.475 ' NZ ' ' HB2' ' A' ' 18' ' ' LYS . 2.7 ttmp? -62.18 -39.93 94.33 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.546 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.581 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 24.6 mmt180 -58.81 -41.53 86.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.736 177.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.667 ' HA ' HG21 ' A' ' 61' ' ' VAL . . . -62.55 -44.54 96.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.232 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -56.27 -40.95 75.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.345 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 85.3 t -90.17 -50.72 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -83.63 -38.31 21.73 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -167.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.528 ' HB2' ' CG2' ' A' ' 61' ' ' VAL . 54.9 m-20 -140.23 -127.41 0.11 Allowed 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.299 -173.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.644 ' HG2' ' HG ' ' A' ' 26' ' ' LEU . 37.6 tttp -156.66 127.82 6.93 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.491 -174.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.644 ' HG ' ' HG2' ' A' ' 25' ' ' LYS . 96.9 mt 66.91 142.68 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.834 0.826 . . . . 0.0 112.221 174.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.523 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 35.7 tp -104.46 108.15 19.44 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.63 177.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.414 ' CZ ' HD22 ' A' ' 87' ' ' LEU . 64.2 t80 -90.56 101.56 14.3 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.74 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 47.9 t -95.7 116.84 38.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.805 -176.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -100.95 107.09 18.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.844 175.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.521 ' HB2' ' HB ' ' A' ' 86' ' ' THR . 80.4 m -94.78 114.08 25.92 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.357 176.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -119.34 154.87 32.89 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.187 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 51.9 p -98.35 171.87 7.91 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.8 m -70.81 -23.29 62.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.954 0.407 . . . . 0.0 110.354 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -69.22 122.41 18.78 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.184 175.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.2 p -99.04 121.85 41.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.178 0.514 . . . . 0.0 111.104 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -166.24 -87.25 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.521 177.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.438 ' HB2' ' HG3' ' A' ' 85' ' ' PRO . 48.7 Cg_exo -55.07 -40.71 84.46 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 123.18 2.587 . . . . 0.0 112.854 177.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 85' ' ' PRO . 56.8 m -70.34 -21.91 62.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.598 0.237 . . . . 0.0 110.916 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -70.45 -29.22 65.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.181 0.515 . . . . 0.0 109.947 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -60.12 -39.2 85.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.022 174.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.533 HD11 HD22 ' A' ' 109' ' ' LEU . 12.2 tp -67.68 -40.26 84.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.891 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.61 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 15.6 m -61.92 -38.98 90.45 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.207 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -56.17 -57.83 10.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.25 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.474 HG23 HG23 ' A' ' 46' ' ' VAL . 5.3 m -97.4 -45.41 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -172.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.474 HG23 HG23 ' A' ' 45' ' ' VAL . 36.1 t -72.5 -28.93 29.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.071 0.462 . . . . 0.0 111.323 -171.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.61 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 34.2 m-85 -95.55 21.35 8.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.861 0.363 . . . . 0.0 110.736 178.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -134.45 -44.16 0.76 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.047 -177.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.88 130.14 42.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.989 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.0 m -66.73 -45.61 78.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.078 -176.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.6 mt -70.74 -43.51 68.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.373 -174.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.8 t -61.79 -50.03 81.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.471 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.552 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -59.99 -39.91 87.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.408 ' O ' ' HG3' ' A' ' 58' ' ' ARG . 23.3 t70 -64.42 -48.18 76.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.182 -179.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -61.71 -51.73 67.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.35 -176.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -67.94 -30.72 70.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.865 -175.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -70.76 -34.35 71.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.75 0.31 . . . . 0.0 111.159 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 54' ' ' ASP . 58.2 mtt180 -83.12 -44.11 15.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.708 -178.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -88.16 -10.03 51.22 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -170.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.497 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 69.4 m-85 -142.6 146.3 34.41 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.667 HG21 ' HA ' ' A' ' 20' ' ' ALA . 89.0 t -91.47 110.1 22.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 168.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -86.23 116.08 24.19 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.661 -174.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 54.8 tp -113.7 126.25 55.03 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.472 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -103.79 133.38 48.87 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 176.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 53.2 ttm -147.25 140.83 25.56 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.95 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -75.55 156.25 35.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.711 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 79.8 mtp -98.99 -3.53 34.7 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 172.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 47.3 mt-10 -127.06 111.11 13.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.326 173.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 68' ' ' GLU . 97.6 mttt 73.4 160.99 0.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.3 1.0 . . . . 0.0 110.778 -173.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 78.56 28.57 54.97 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.885 -178.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 69.29 16.17 8.43 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.405 0.682 . . . . 0.0 111.352 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.82 -32.05 82.87 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.193 178.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.3 p -57.61 -35.5 50.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-O 120.696 0.284 . . . . 0.0 111.297 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -64.07 -51.65 63.05 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.037 0.446 . . . . 0.0 110.428 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.9 mp -71.24 -31.72 67.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.308 -176.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.666 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 37.3 ttt180 -59.22 -42.25 90.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.254 0.55 . . . . 0.0 110.291 177.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -77.17 -30.08 54.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.804 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -76.07 -49.68 16.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.979 -172.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -98.36 -16.64 19.23 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.992 -174.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.52 110.86 1.49 Allowed Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 176.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.666 ' HB ' ' HG3' ' A' ' 76' ' ' ARG . 8.4 p -71.83 134.32 30.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.149 0.5 . . . . 0.0 110.31 176.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 54.5 m80 -136.1 -70.35 0.47 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.972 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.36 -160.15 0.76 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.003 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.675 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 42.3 m-85 -90.86 -48.04 0.36 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.554 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.675 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 84.8 Cg_endo -89.28 143.35 4.64 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 121.871 1.714 . . . . 0.0 111.597 170.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.521 ' HB ' ' HB2' ' A' ' 31' ' ' CYS . 62.6 m -148.55 114.26 5.69 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.03 0.443 . . . . 0.0 110.608 177.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.648 HD12 HD23 ' A' ' 100' ' ' LEU . 82.0 mt -93.66 116.5 29.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.074 -178.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.74 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 81.9 mt -105.48 127.6 53.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.908 176.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -109.17 106.62 16.57 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.284 -177.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.523 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 45.4 mm -113.68 118.84 59.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.737 -175.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -93.23 -174.08 3.43 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 176.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.1 p -56.34 -27.56 56.21 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -177.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.8 m -66.25 -27.47 67.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.726 0.298 . . . . 0.0 111.764 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 91.02 -11.13 73.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.766 -176.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -88.29 167.83 13.22 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 18.3 m -93.22 124.31 45.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.057 0.456 . . . . 0.0 111.261 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.43 HG13 ' HD1' ' A' ' 98' ' ' TYR . 3.4 p -74.42 -43.31 49.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 174.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.531 ' OH ' ' HA ' ' A' ' 113' ' ' VAL . 18.3 p90 -161.72 165.07 28.62 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 172.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -125.15 140.64 52.69 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.648 HD23 HD12 ' A' ' 87' ' ' LEU . 48.0 tp -125.66 125.42 43.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.902 0.382 . . . . 0.0 110.819 -176.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 60.5 t -102.73 107.86 22.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.289 177.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.404 ' HA2' ' HG2' ' A' ' 85' ' ' PRO . . . 119.64 148.13 8.16 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.121 179.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -124.93 114.86 19.71 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -95.92 -175.53 3.44 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.676 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.83 166.31 9.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.326 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.558 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -52.13 -51.79 68.34 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -172.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.558 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 37.2 Cg_exo -58.21 -45.14 33.22 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.787 1.658 . . . . 0.0 112.534 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.521 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 11.0 mm-40 -69.39 -40.29 77.46 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 -179.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.533 HD22 HD11 ' A' ' 42' ' ' LEU . 47.7 tp -52.63 -55.62 21.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.465 178.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 54.8 tp -56.35 -39.89 73.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.099 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -65.37 -42.91 92.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.844 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 108' ' ' GLU . 13.7 mmmm -65.99 -27.56 68.23 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 120.626 0.25 . . . . 0.0 111.294 -177.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.531 ' HA ' ' OH ' ' A' ' 98' ' ' TYR . 76.2 t -71.13 -52.92 23.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.363 . . . . 0.0 110.45 177.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 118' ' ' GLU . 96.2 mttt -66.25 -44.94 82.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.438 -178.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 30.1 tp -67.33 -20.66 65.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.05 -177.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -89.66 -40.7 5.9 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.844 -0.693 . . . . 0.0 113.134 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 22.0 m -66.31 -35.85 75.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.91 0.355 . . . . 0.0 111.901 -176.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 114' ' ' LYS . 9.9 pt-20 -100.93 159.24 15.37 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 175.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.7 p -106.72 5.84 29.12 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.76 -174.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 66.26 93.96 0.07 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.438 0.637 . . . . 0.0 109.866 -176.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.408 -1.218 . . . . 0.0 111.216 -176.263 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -135.17 147.62 49.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.029 0.442 . . . . 0.0 111.431 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -146.71 108.41 4.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.844 176.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -81.4 162.19 23.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.97 177.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -100.17 -133.32 8.07 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.906 -0.664 . . . . 0.0 113.457 -173.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.1 mt -57.86 123.55 9.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.163 -0.519 . . . . 0.0 111.507 -177.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -113.17 114.39 26.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.454 177.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.687 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 83.9 m-85 -84.14 145.4 28.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.53 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -94.69 128.64 41.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.239 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -82.72 94.42 7.6 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 174.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 11' ' ' LEU . 12.6 tp -139.12 167.92 20.98 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.234 -175.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.8 p -83.23 168.8 16.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.093 0.473 . . . . 0.0 110.363 176.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.495 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 81.3 t80 -63.22 -53.44 53.88 Favored Pre-proline 0 C--N 1.317 -0.82 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.886 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 20.8 Cg_endo -61.16 -39.58 57.75 Favored 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.113 1.876 . . . . 0.0 112.592 -177.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.4 -54.71 32.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.353 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.54 -41.08 84.74 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.073 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.6 tp -58.03 -50.38 73.64 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.17 0.51 . . . . 0.0 110.528 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -56.85 -43.14 80.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.711 178.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -58.68 -49.01 79.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.491 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.414 ' HB1' ' O ' ' A' ' 25' ' ' LYS . . . -66.48 -30.98 71.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.728 0.299 . . . . 0.0 111.347 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -64.17 -46.7 82.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.125 0.488 . . . . 0.0 110.568 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.7 t -77.88 -39.26 25.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.327 -177.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.667 ' HG2' ' HE2' ' A' ' 25' ' ' LYS . 21.0 tt0 -85.31 -0.08 53.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.054 0.454 . . . . 0.0 110.778 -176.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.6 t70 61.49 52.17 3.82 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.989 170.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.667 ' HE2' ' HG2' ' A' ' 23' ' ' GLU . 56.2 mtmt -144.56 -178.65 6.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.898 179.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 91' ' ' ASN . 3.0 mm? -100.9 157.61 16.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.929 0.395 . . . . 0.0 111.142 -175.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.608 ' HB2' ' HB ' ' A' ' 90' ' ' ILE . 3.3 mm? -90.8 119.19 30.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.517 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.487 ' CZ ' HD22 ' A' ' 87' ' ' LEU . 76.9 t80 -105.79 101.41 10.92 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 171.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.592 ' HB ' ' HB3' ' A' ' 88' ' ' LEU . 27.6 t -97.26 111.66 27.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.515 -176.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -79.75 98.12 6.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.428 177.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 33.4 m -98.25 111.86 24.05 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -141.4 155.71 45.87 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.303 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -100.48 152.11 20.77 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.3 p -75.4 16.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -175.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.427 ' O ' ' HB3' ' A' ' 36' ' ' CYS . 49.6 t-105 -53.76 -34.22 58.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.542 177.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 35' ' ' TRP . 48.5 t 77.3 163.58 0.23 Allowed 'General case' 0 CA--C 1.53 0.2 0 O-C-N 124.038 0.836 . . . . 0.0 110.456 -177.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 113.64 -100.45 1.06 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.261 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.01 -45.05 43.84 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 123.378 2.719 . . . . 0.0 113.353 -177.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.7 p -64.97 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.085 0.469 . . . . 0.0 111.064 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -79.28 -39.74 32.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.363 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -61.55 -41.16 96.95 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.933 0.397 . . . . 0.0 110.393 175.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.7 tp -58.6 -37.04 74.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.128 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.654 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 49.9 m -69.37 -29.64 67.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.307 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -64.33 -37.75 88.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.533 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.63 HG13 HG23 ' A' ' 46' ' ' VAL . 7.4 p -107.39 -52.93 6.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -174.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.63 HG23 HG13 ' A' ' 45' ' ' VAL . 49.9 t -72.13 -38.53 63.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.537 -174.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.654 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 1.6 m-85 -84.65 39.08 0.72 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.135 0.493 . . . . 0.0 110.585 -177.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -133.82 -49.99 0.83 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.746 -178.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -63.18 126.35 27.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.531 -173.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.3 p -65.4 -40.03 92.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.675 -175.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.413 ' HA ' HD13 ' A' ' 51' ' ' LEU . 4.3 mm? -70.62 -52.23 22.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.789 -0.187 . . . . 0.0 111.133 -178.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 88.2 t -59.76 -49.54 83.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.949 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.85 97.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.659 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -69.74 -50.72 40.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.757 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -58.92 -42.93 90.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.898 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -67.81 -49.64 61.16 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.074 -177.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -67.74 -30.65 70.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.897 -175.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -74.05 -51.04 17.05 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.147 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -74.49 -33.57 62.87 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -172.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -117.47 136.52 53.15 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.568 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.3 t -75.14 110.19 9.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.59 ' HB3' ' CD1' ' A' ' 8' ' ' PHE . 12.2 m120 -80.52 105.13 11.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.795 -175.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.442 HD23 HG22 ' A' ' 29' ' ' VAL . 64.7 tp -106.36 126.3 52.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.955 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.687 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 54.3 tttm -96.27 118.94 33.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.335 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 38.3 mtt -137.04 102.52 4.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.278 0.561 . . . . 0.0 111.292 177.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.31 140.37 58.11 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.473 -0.785 . . . . 0.0 108.921 174.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.432 ' SD ' HG11 ' A' ' 81' ' ' VAL . 45.8 mtm -77.14 1.46 18.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.309 0.576 . . . . 0.0 110.71 176.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -113.18 97.23 6.37 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 167.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.652 ' HG2' ' H ' ' A' ' 70' ' ' GLY . 17.0 ttmm 176.53 179.85 0.19 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 113.783 -1.553 . . . . 0.0 108.398 -168.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.652 ' H ' ' HG2' ' A' ' 69' ' ' LYS . . . -56.71 -69.06 1.39 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.172 -0.537 . . . . 0.0 112.45 177.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.566 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 2.3 mp0 -77.99 -10.75 59.75 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.884 -0.186 . . . . 0.0 111.117 178.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -58.18 -49.17 78.19 Favored Glycine 0 C--N 1.329 0.187 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.782 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.6 p -64.85 -32.71 59.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.686 0.279 . . . . 0.0 110.427 178.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.482 ' O ' ' HB2' ' A' ' 78' ' ' LYS . 43.1 tt0 -66.04 -50.59 63.63 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 81.9 mt -60.23 -40.53 90.52 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.285 0.366 . . . . 0.0 111.458 -177.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.453 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 53.0 ttt180 -61.05 -42.15 97.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.057 0.456 . . . . 0.0 110.613 -178.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -76.62 -35.71 57.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.559 0.695 . . . . 0.0 110.753 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 72.1 tttt -68.17 -49.23 62.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.681 -171.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.623 ' CE1' HG21 ' A' ' 96' ' ' VAL . 92.8 m-85 -101.37 13.37 35.24 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.775 -175.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.41 56.75 22.82 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.521 -0.763 . . . . 0.0 113.214 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.453 ' HB ' ' HG3' ' A' ' 76' ' ' ARG . 58.2 t -79.22 105.66 8.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.053 0.454 . . . . 0.0 110.798 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -109.33 22.89 15.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.302 0.572 . . . . 0.0 110.139 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -129.39 -172.53 2.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.618 176.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.765 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 59.1 m-85 -92.83 -52.32 0.27 Allowed Pre-proline 0 C--N 1.325 -0.463 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.188 177.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.765 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 71.7 Cg_endo -98.0 143.58 0.6 Allowed 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 122.388 2.058 . . . . 0.0 112.145 172.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 80.6 m -150.27 119.56 6.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.115 0.483 . . . . 0.0 110.657 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.666 HD12 HD23 ' A' ' 100' ' ' LEU . 47.6 mt -93.35 117.83 30.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.885 -178.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.592 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 34.1 tp -104.36 125.08 50.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -176.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.52 ' CE1' HG23 ' A' ' 113' ' ' VAL . 45.2 m-85 -107.41 113.7 27.22 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.282 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.773 HG12 HG22 ' A' ' 96' ' ' VAL . 65.9 mt -122.21 141.68 41.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.55 -176.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.511 ' HA ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -92.46 168.84 11.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.522 176.701 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.6 m -61.91 -21.42 64.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.983 -176.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.7 p -79.99 0.34 32.0 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.872 0.368 . . . . 0.0 111.9 -177.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.26 -33.76 6.07 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.988 173.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -77.15 164.24 25.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.387 0.613 . . . . 0.0 111.968 -176.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.773 HG22 HG12 ' A' ' 90' ' ' ILE . 67.9 t -100.23 128.09 52.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.661 -177.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 30.0 m -88.9 -37.47 10.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.125 -178.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -163.12 155.45 18.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.114 -178.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -135.33 137.61 42.59 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 175.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.666 HD23 HD12 ' A' ' 87' ' ' LEU . 59.4 tp -106.79 109.48 21.4 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.27 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.0 p -85.57 102.78 11.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.617 0.723 . . . . 0.0 110.305 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 120.78 -166.11 13.93 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.515 -176.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -160.02 115.61 2.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.669 0.271 . . . . 0.0 110.626 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.685 ' HB3' ' HB2' ' A' ' 108' ' ' GLU . 0.8 OUTLIER -85.94 169.46 13.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.362 177.081 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -69.78 174.82 4.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.071 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.593 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -48.19 -54.47 24.82 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -170.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.593 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 24.3 Cg_exo -63.41 -47.51 7.55 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 121.834 1.69 . . . . 0.0 112.167 -178.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.685 ' HB2' ' HB3' ' A' ' 104' ' ' GLU . 44.0 mm-40 -68.29 -37.07 80.28 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.096 -176.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.409 ' HA ' HD22 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -60.71 -46.65 89.56 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -179.586 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 43.3 tp -62.46 -32.46 73.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.652 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -73.14 -42.02 63.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.452 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.513 ' HG2' ' O ' ' A' ' 108' ' ' GLU . 31.0 mmmt -64.89 -44.57 89.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.213 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.52 HG23 ' CE1' ' A' ' 89' ' ' PHE . 7.3 p -66.78 -41.52 88.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.029 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -66.55 -51.73 53.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.617 0.246 . . . . 0.0 111.053 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 89.3 mt -76.43 -12.89 60.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.539 -177.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.56 -36.82 47.93 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.372 173.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 61.0 t -84.29 -36.44 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.224 0.535 . . . . 0.0 109.983 176.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -84.25 71.74 10.6 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.5 p -75.79 150.27 37.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.998 -174.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -88.12 -27.91 21.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.519 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.842 0 CA-C-O 118.701 -1.055 . . . . 0.0 111.873 -177.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.728 0.299 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.444 ' HB2' ' H ' ' A' ' 3' ' ' ALA . 0.2 OUTLIER -91.36 -99.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.122 0.487 . . . . 0.0 109.997 -177.802 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.444 ' H ' ' HB2' ' A' ' 2' ' ' GLN . . . -149.88 20.42 0.89 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 174.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -71.84 -32.04 67.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.308 -173.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.89 ' HA3' ' HB3' ' A' ' 47' ' ' PHE . . . 155.99 -160.54 30.13 Favored Glycine 0 N--CA 1.442 -0.928 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.319 178.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.513 ' H ' ' HD2' ' A' ' 47' ' ' PHE . 80.8 mt -68.43 133.83 31.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.953 0.406 . . . . 0.0 111.6 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.92 115.96 28.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.805 172.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -72.63 159.07 34.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.12 0.486 . . . . 0.0 111.311 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 9' ' ' ARG . 15.1 mtm180 -118.54 115.0 23.68 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 174.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -81.54 111.45 17.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.529 0.68 . . . . 0.0 110.302 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.476 HD21 ' HB3' ' A' ' 15' ' ' GLU . 15.4 tp -145.72 165.48 28.65 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.361 -175.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.1 m -82.21 156.63 24.31 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.648 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 64.7 t80 -56.61 -56.51 31.56 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-O 119.032 -0.508 . . . . 0.0 112.248 -172.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.648 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 67.5 Cg_exo -50.13 -43.55 42.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 122.25 1.966 . . . . 0.0 113.122 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.476 ' HB3' HD21 ' A' ' 11' ' ' LEU . 37.9 mt-10 -65.18 -54.12 34.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.743 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.22 -32.83 72.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.251 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.527 HD11 ' HA ' ' A' ' 92' ' ' SER . 21.4 tp -61.72 -50.25 73.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.748 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -55.9 -42.2 75.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.711 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -62.97 -43.12 99.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.78 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.71 -51.44 68.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.546 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -60.62 -37.43 81.43 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -175.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.6 t -89.2 -51.29 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -173.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -99.46 -24.82 14.65 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -167.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -128.54 -145.04 0.29 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -176.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.529 ' HB3' HD12 ' A' ' 26' ' ' LEU . 51.8 mttp -125.66 -85.47 0.63 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' A' ' 25' ' ' LYS . 7.2 mp -102.73 162.92 12.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.01 0.434 . . . . 0.0 110.875 -177.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.31 117.85 35.79 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.243 -176.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -93.0 107.09 18.95 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 177.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.59 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 39.9 t -102.01 113.68 39.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.939 0.399 . . . . 0.0 111.382 -175.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -90.89 115.85 28.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.793 174.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 76.1 m -117.57 113.56 22.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.171 0.51 . . . . 0.0 110.342 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -133.39 154.86 50.4 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.782 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.411 HG23 ' H ' ' A' ' 35' ' ' TRP . 11.4 t -106.06 173.2 6.42 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.136 173.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 m -73.0 -3.13 24.14 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -174.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.461 ' HB2' ' CD1' ' A' ' 84' ' ' TYR . 80.3 m95 -80.1 103.98 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.7 m 61.5 -175.23 0.13 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.262 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.94 64.84 0.56 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.277 -0.963 . . . . 0.0 113.16 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.19 -41.19 53.34 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.489 2.126 . . . . 0.0 112.163 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.52 ' HA ' HD12 ' A' ' 42' ' ' LEU . 37.6 t -63.93 -30.96 72.0 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.91 0.386 . . . . 0.0 110.49 179.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -69.65 -28.97 66.34 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.182 0.515 . . . . 0.0 110.608 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -75.24 -31.12 60.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.255 0.55 . . . . 0.0 109.852 176.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 39' ' ' CYS . 95.4 mt -63.12 -33.19 74.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.349 175.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.638 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 14.0 m -61.36 -33.28 73.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.781 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -68.44 -56.39 8.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.179 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.518 HG23 HG23 ' A' ' 46' ' ' VAL . 7.3 m -84.36 -45.73 17.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -172.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.518 HG23 HG23 ' A' ' 45' ' ' VAL . 59.4 t -80.67 -49.12 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.891 0.377 . . . . 0.0 111.629 -173.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.89 ' HB3' ' HA3' ' A' ' 5' ' ' GLY . 11.5 m-85 -71.25 -5.27 30.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.953 -173.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -75.3 -26.49 58.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.692 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -73.94 128.59 35.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.812 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.9 p -69.53 -46.82 65.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.253 -175.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.17 -42.24 89.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.768 -176.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.3 t -66.29 -32.81 59.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.416 177.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.97 -51.75 51.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.572 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -59.07 -39.35 81.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.655 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -59.97 -57.7 11.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.356 -177.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 60' ' ' PHE . 32.1 m-85 -71.27 -39.57 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -177.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.419 ' HA ' ' OD1' ' A' ' 62' ' ' ASN . 4.0 t-20 -68.85 -41.41 78.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.56 -175.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.5 ttp85 -88.86 -36.97 15.69 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -172.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -88.91 -19.27 26.02 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.421 -174.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.492 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 79.7 m-85 -130.14 158.51 39.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.82 0.343 . . . . 0.0 110.664 -176.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 64.9 t -89.93 116.52 31.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.419 ' OD1' ' HA ' ' A' ' 57' ' ' ASN . 8.5 m120 -81.43 100.74 9.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.991 0.424 . . . . 0.0 110.352 -176.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.44 HD11 ' O ' ' A' ' 11' ' ' LEU . 45.4 tp -105.53 128.87 53.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.417 -178.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -116.79 120.07 37.39 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.403 ' CE ' ' H ' ' A' ' 71' ' ' GLU . 13.4 ttt -142.45 150.31 40.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.217 0.532 . . . . 0.0 111.097 -177.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -88.81 156.47 18.94 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.629 -177.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 57.7 mtt -85.78 2.72 44.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.256 0.551 . . . . 0.0 110.573 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -113.34 -40.36 3.9 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.366 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -90.82 134.28 34.56 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.326 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.78 -116.85 5.52 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.479 -0.782 . . . . 0.0 113.696 169.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.403 ' H ' ' CE ' ' A' ' 65' ' ' MET . 33.9 mt-10 -94.32 4.27 54.09 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 122.584 0.354 . . . . 0.0 111.104 -174.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 76' ' ' ARG . . . -57.33 -45.5 92.76 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.668 -178.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.93 -32.77 58.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.897 0.38 . . . . 0.0 111.31 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -68.47 -52.21 34.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.2 -178.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.559 ' HA ' ' HB3' ' A' ' 78' ' ' LYS . 79.0 mt -66.04 -30.74 71.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.319 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 72' ' ' GLY . 24.7 ttt180 -54.37 -51.06 65.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.477 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -77.02 -29.53 55.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.242 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.559 ' HB3' ' HA ' ' A' ' 75' ' ' LEU . 14.9 tppt? -59.12 -50.67 73.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.899 0.38 . . . . 0.0 111.175 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.593 ' HD1' ' HD3' ' A' ' 99' ' ' ARG . 87.5 m-85 -96.04 -3.97 43.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.935 -175.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 64.37 33.89 88.44 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.556 177.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.467 HG11 HG21 ' A' ' 86' ' ' THR . 20.4 m -85.52 135.59 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 CA-C-O 121.187 0.517 . . . . 0.0 111.274 -176.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -126.08 7.47 7.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.622 176.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.75 -179.6 7.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.755 -177.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.861 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 54.1 m-85 -96.21 -55.66 0.21 Allowed Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.337 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.861 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 11.1 Cg_endo -95.19 114.86 0.17 Allowed 'Trans proline' 0 N--CA 1.449 -1.121 0 C-N-CA 122.652 2.235 . . . . 0.0 112.128 172.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.467 HG21 HG11 ' A' ' 81' ' ' VAL . 41.7 m -124.6 119.52 29.28 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.069 0.461 . . . . 0.0 110.49 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.502 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 3.2 mm? -100.0 119.47 38.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.151 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.59 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 97.5 mt -110.69 129.67 55.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.741 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.61 ' HE2' HD23 ' A' ' 100' ' ' LEU . 27.5 m-85 -112.71 106.3 14.64 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.544 HD12 HG21 ' A' ' 29' ' ' VAL . 63.0 mt -117.69 142.39 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.767 -168.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -87.66 -174.3 4.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.891 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.527 ' HA ' HD11 ' A' ' 17' ' ' LEU . 5.4 p -71.38 -26.9 62.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 112.066 -176.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.556 ' HB3' ' HG2' ' A' ' 95' ' ' GLU . 43.4 t -75.79 -18.64 59.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.129 0.49 . . . . 0.0 110.937 177.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.417 ' HA2' ' HZ ' ' A' ' 13' ' ' PHE . . . 98.17 14.05 40.34 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.583 -0.817 . . . . 0.0 111.758 -175.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.556 ' HG2' ' HB3' ' A' ' 93' ' ' SER . 9.1 mm-40 -92.54 139.32 30.7 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.8 p -89.82 133.49 31.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.775 0.322 . . . . 0.0 110.157 177.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 30.3 m -82.83 -30.38 8.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.908 0.385 . . . . 0.0 110.894 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -166.98 143.81 4.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.461 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.593 ' HD3' ' HD1' ' A' ' 79' ' ' TYR . 73.1 mtm180 -106.25 121.55 44.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.901 -178.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.724 HD21 ' HB3' ' A' ' 112' ' ' LYS . 0.2 OUTLIER -97.02 132.34 42.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.022 179.566 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 37.7 t -118.11 114.8 46.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.03 -158.17 32.85 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.521 -0.847 . . . . 0.0 111.229 -176.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -158.83 144.93 16.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.02 0.438 . . . . 0.0 111.447 -178.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -116.39 -175.22 2.71 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.635 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -65.87 169.04 7.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.702 -0.227 . . . . 0.0 110.825 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.568 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -49.67 -52.16 53.31 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 -172.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.568 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 33.3 Cg_exo -62.84 -38.84 45.59 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 121.986 1.791 . . . . 0.0 112.307 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.44 -31.66 62.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.232 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.4 tp -60.81 -52.37 65.35 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.213 0.53 . . . . 0.0 109.686 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.9 tp -63.87 -36.69 84.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.16 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -59.11 -47.92 83.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.179 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.724 ' HB3' HD21 ' A' ' 100' ' ' LEU . 30.1 mmmt -61.75 -49.11 77.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.807 -178.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 5.9 p -68.54 -43.6 83.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.113 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -63.81 -39.9 95.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.678 -177.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 115' ' ' LEU . 1.7 tm? -77.5 -31.27 53.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.282 -178.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -64.77 -37.89 94.9 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.139 -0.553 . . . . 0.0 113.209 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 12.4 p -107.05 -12.34 10.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.309 0.575 . . . . 0.0 110.252 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 61.62 59.28 1.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.205 -176.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.1 m 65.21 166.81 0.18 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 114.788 -1.096 . . . . 0.0 112.934 171.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -161.72 -69.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.164 174.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.776 0 CA-C-O 118.648 -1.084 . . . . 0.0 112.103 179.81 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.244 0 CA-C-O 120.663 0.268 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -79.82 -62.42 1.69 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.535 0.684 . . . . 0.0 109.38 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -162.95 21.78 0.09 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.361 -1.291 . . . . 0.0 107.654 175.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -101.06 126.52 47.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.01 -1.45 . . . . 0.0 110.669 -172.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.23 -134.7 7.46 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.409 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.579 HG12 ' HA ' ' A' ' 53' ' ' ALA . 77.1 mt -59.38 122.26 9.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.934 0.397 . . . . 0.0 111.077 177.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -117.59 121.26 40.47 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.806 175.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -80.12 123.56 27.99 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.544 ' NH2' HG13 ' A' ' 61' ' ' VAL . 35.6 mtm-85 -87.17 147.14 25.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.549 -172.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' HG2' ' HD3' ' A' ' 64' ' ' LYS . 39.5 mt-10 -101.05 105.02 16.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.884 0.373 . . . . 0.0 110.952 -175.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.6 mt -129.44 160.62 32.57 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.026 177.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.8 m -74.4 157.7 35.2 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 176.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.735 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 46.6 t80 -54.26 -56.24 28.44 Favored Pre-proline 0 CA--C 1.544 0.712 0 CA-C-O 119.441 -0.314 . . . . 0.0 111.823 -175.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.735 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 31.7 Cg_exo -58.36 -44.79 35.2 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 121.91 1.74 . . . . 0.0 112.512 174.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -58.11 -51.28 70.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.918 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.82 95.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.104 -176.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.497 HD11 ' HA ' ' A' ' 92' ' ' SER . 42.9 tp -59.84 -51.8 68.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.274 0.559 . . . . 0.0 110.166 178.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -58.6 -44.36 89.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.848 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.9 tpp85 -61.89 -49.01 77.91 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.163 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.512 ' HA ' HG21 ' A' ' 61' ' ' VAL . . . -60.48 -40.32 90.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 177.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -63.53 -38.42 91.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.56 -176.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.8 m -89.65 -40.73 13.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -172.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -100.79 -38.22 8.37 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.135 -0.626 . . . . 0.0 112.327 -173.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -117.97 -138.07 0.35 Allowed 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.443 -171.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -116.15 -66.35 1.09 Allowed 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.162 -168.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 tt -143.47 161.04 39.46 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.846 -171.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.2 tp -87.64 105.27 17.24 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.86 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.414 ' CZ ' HD22 ' A' ' 87' ' ' LEU . 66.0 t80 -104.42 114.99 29.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.079 0.466 . . . . 0.0 109.829 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.577 HG22 HD23 ' A' ' 63' ' ' LEU . 38.6 t -108.28 132.56 55.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.974 -175.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -109.56 120.15 41.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.005 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.588 ' HB2' ' HB ' ' A' ' 86' ' ' THR . 74.5 m -117.38 113.68 22.45 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 177.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.416 ' O ' ' HG2' ' A' ' 67' ' ' MET . 42.3 p90 -103.5 147.55 27.02 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.504 -179.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.7 m -99.25 146.17 26.49 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 175.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.29 -9.35 1.48 Allowed 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -171.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -62.95 -44.55 95.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.709 0.29 . . . . 0.0 111.166 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.8 m 57.73 28.55 16.02 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.689 177.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.91 -71.62 0.87 Allowed Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.446 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.495 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 47.1 Cg_exo -55.71 -36.76 95.57 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.017 2.478 . . . . 0.0 112.39 175.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.0 t -58.83 -28.77 66.36 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.053 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -63.64 -45.53 89.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.101 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.416 ' HA ' ' HE2' ' A' ' 44' ' ' LYS . 49.6 mtm180 -67.33 -37.15 82.83 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.055 0.455 . . . . 0.0 110.659 177.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 38' ' ' PRO . 79.3 mt -65.24 -35.84 82.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.794 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.7 m -62.44 -29.91 70.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.742 -177.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' A' ' 41' ' ' ARG . 49.8 mtmt -72.49 -50.43 26.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.938 0.399 . . . . 0.0 111.828 -176.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 46' ' ' VAL . 7.5 p -105.91 -52.52 7.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -173.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.473 HG21 HD22 ' A' ' 42' ' ' LEU . 55.5 t -59.17 -47.34 90.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.584 -175.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -82.71 24.83 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -176.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -134.31 -38.66 0.84 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -60.86 113.17 2.36 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.885 0.374 . . . . 0.0 111.049 -176.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.8 m -69.21 -31.03 69.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.104 -176.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.53 -46.54 79.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.015 0.436 . . . . 0.0 110.702 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.524 HG12 HD11 ' A' ' 6' ' ' ILE . 57.3 t -68.88 -33.97 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.379 176.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.579 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -57.46 -51.23 70.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.663 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.09 -43.25 95.98 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.014 0.435 . . . . 0.0 110.347 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -54.87 -56.39 20.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.338 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -67.27 -52.89 35.2 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -64.72 -30.87 71.9 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -170.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.422 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 7.1 tpm_? -88.41 -34.89 17.39 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.786 -176.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -88.88 -33.74 17.22 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.726 -174.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -125.44 157.79 36.02 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.544 HG13 ' NH2' ' A' ' 9' ' ' ARG . 91.6 t -89.86 120.83 39.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -86.22 120.92 28.11 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.374 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.577 HD23 HG22 ' A' ' 29' ' ' VAL . 64.7 tp -122.14 125.29 45.84 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.539 -176.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HD3' ' HG2' ' A' ' 10' ' ' GLU . 66.6 tttt -93.71 122.77 36.51 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.45 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 97.3 mmm -129.91 133.61 46.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.012 0.434 . . . . 0.0 110.67 176.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.546 ' HB3' ' HB3' ' A' ' 69' ' ' LYS . 8.6 t70 -91.63 155.51 18.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 177.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' A' ' 32' ' ' PHE . 20.6 mmt -70.06 -28.3 65.34 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.584 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -115.14 16.05 17.02 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.342 -177.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.546 ' HB3' ' HB3' ' A' ' 66' ' ' ASP . 17.9 tppt? -107.79 111.67 23.95 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.83 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 55.75 -117.68 9.25 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.62 -0.718 . . . . 0.0 113.301 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -72.37 -4.43 29.93 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 122.439 0.296 . . . . 0.0 111.594 -175.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -55.56 -42.57 84.6 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.899 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 28.6 m -67.07 -34.07 67.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.058 0.456 . . . . 0.0 110.756 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.39 -47.53 63.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.005 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.21 -43.94 97.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.949 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.482 ' HG3' ' CG1' ' A' ' 81' ' ' VAL . 17.9 ttp180 -59.79 -43.44 94.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.338 -178.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -76.14 -23.85 54.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.932 0.396 . . . . 0.0 110.569 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -71.65 -50.02 34.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.199 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.404 ' HE1' HG11 ' A' ' 96' ' ' VAL . 94.7 m-85 -90.94 -7.15 52.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.118 -176.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 57.72 46.41 92.27 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.168 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.487 HG21 ' OG1' ' A' ' 86' ' ' THR . 6.2 p -74.44 120.78 24.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.626 0.726 . . . . 0.0 111.221 -176.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -109.55 8.27 25.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.352 176.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.4 -179.53 4.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.893 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.804 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 33.9 m-85 -95.33 -55.74 0.22 Allowed Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.095 -177.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.804 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 3.4 Cg_endo -87.94 130.01 2.55 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 122.214 1.942 . . . . 0.0 111.156 174.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.588 ' HB ' ' HB2' ' A' ' 31' ' ' CYS . 3.9 m -127.63 105.43 8.47 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.714 -0.395 . . . . 0.0 110.873 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.737 HD12 HD23 ' A' ' 100' ' ' LEU . 79.0 mt -96.38 137.84 34.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 176.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.573 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 19.8 tp -134.98 128.57 32.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.111 -171.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.637 ' HZ ' HG13 ' A' ' 113' ' ' VAL . 73.9 m-85 -110.64 106.54 15.82 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.293 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 57.3 mt -113.17 132.35 62.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.612 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 34.4 p30 -79.21 171.85 14.61 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.497 ' HA ' HD11 ' A' ' 17' ' ' LEU . 19.3 m -73.38 -1.37 17.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 0.0 111.738 -177.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.9 t -87.25 -31.81 20.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.887 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.82 14.3 8.74 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.441 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -113.19 148.17 35.98 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.767 0.317 . . . . 0.0 110.475 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.404 HG11 ' HE1' ' A' ' 79' ' ' TYR . 7.7 p -86.57 129.82 37.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.284 0.564 . . . . 0.0 110.52 178.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.6 t -93.23 -42.72 13.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.288 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -143.99 137.77 27.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.707 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -118.98 135.52 54.57 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.737 HD23 HD12 ' A' ' 87' ' ' LEU . 55.4 tp -126.37 107.23 10.1 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.059 0.457 . . . . 0.0 110.599 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 15.1 m -102.29 122.54 54.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.057 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.1 150.52 26.85 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -175.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.421 ' HB1' HD13 ' A' ' 109' ' ' LEU . . . -153.28 141.77 20.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.817 0.342 . . . . 0.0 111.573 -176.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -101.31 -174.14 2.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.434 174.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -59.55 170.17 1.11 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.975 0.416 . . . . 0.0 111.899 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.595 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -46.02 -57.49 8.08 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -169.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.595 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 27.4 Cg_exo -62.21 -43.53 23.3 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 121.715 1.61 . . . . 0.0 112.536 -174.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -73.21 -32.9 65.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.788 -176.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.443 ' O ' HG23 ' A' ' 113' ' ' VAL . 54.2 tp -65.09 -51.25 62.45 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.179 174.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 55.4 tp -54.47 -46.21 73.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.683 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.58 -38.72 91.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.748 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.418 ' HD2' ' HA ' ' A' ' 112' ' ' LYS . 35.8 tptt -69.05 -38.78 79.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.711 -178.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.637 HG13 ' HZ ' ' A' ' 89' ' ' PHE . 93.2 t -63.95 -46.68 93.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.524 177.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -62.34 -42.85 99.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.64 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.9 tp -72.8 -11.01 60.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.112 0.482 . . . . 0.0 110.772 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -80.11 -22.23 63.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.098 -0.572 . . . . 0.0 111.987 176.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 43.9 t -109.63 -45.32 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.743 0.306 . . . . 0.0 110.367 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 67.85 178.76 0.24 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.548 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.4 m -99.43 -46.29 5.54 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.261 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -103.79 175.33 5.52 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.8 -1.0 . . . . 0.0 111.267 179.044 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -78.8 96.12 5.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.441 0.639 . . . . 0.0 111.098 -176.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.9 81.53 1.15 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.158 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -118.06 -32.39 4.75 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.557 -175.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 94.05 -174.22 33.95 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.677 -0.773 . . . . 0.0 113.152 174.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.555 HG12 ' HA ' ' A' ' 53' ' ' ALA . 19.1 mt -68.72 114.48 5.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.885 0.374 . . . . 0.0 110.481 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -98.01 96.86 8.44 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.135 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.526 ' CB ' ' HB2' ' A' ' 64' ' ' LYS . 77.3 m-85 -71.28 112.32 7.32 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 175.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -68.06 133.37 48.87 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.076 -174.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.7 mp0 -81.39 94.13 6.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.623 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.558 ' HB2' HD13 ' A' ' 63' ' ' LEU . 83.7 mt -113.02 152.65 29.22 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.194 174.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.8 m -81.83 169.3 17.04 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.453 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 63.8 t80 -55.29 -54.52 49.79 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-O 119.573 -0.251 . . . . 0.0 110.96 178.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 20.5 Cg_endo -61.16 -39.65 57.19 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 121.915 1.743 . . . . 0.0 112.32 176.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -58.04 -54.22 49.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.006 0.432 . . . . 0.0 111.542 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.466 ' HB1' HD21 ' A' ' 27' ' ' LEU . . . -63.89 -41.33 97.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.946 -177.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.0 tp -63.35 -45.11 92.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.3 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -56.27 -50.52 71.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.837 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.418 ' HA ' ' HD3' ' A' ' 19' ' ' ARG . 23.7 mmt180 -63.13 -36.25 82.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.283 -178.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.594 ' HB1' ' HA ' ' A' ' 92' ' ' SER . . . -58.51 -51.25 70.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.059 0.457 . . . . 0.0 110.751 176.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.33 -51.24 66.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.511 -177.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.1 m -79.11 -32.01 14.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -170.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -100.04 -23.04 15.0 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.635 -174.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.6 t70 64.99 90.29 0.09 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.293 0.568 . . . . 0.0 111.89 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -176.49 121.76 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.608 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.591 HD22 ' HA ' ' A' ' 91' ' ' ASN . 72.8 mt -63.3 154.7 30.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.404 0.621 . . . . 0.0 112.014 -172.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.701 ' HG ' ' HB ' ' A' ' 61' ' ' VAL . 10.1 mp -101.22 143.78 30.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.662 -174.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.401 ' CZ ' HD22 ' A' ' 87' ' ' LEU . 60.0 t80 -122.12 107.57 12.34 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 168.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.729 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 23.7 t -104.27 127.52 58.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.264 -172.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -98.91 112.7 24.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.433 173.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.4 ' SG ' HG12 ' A' ' 29' ' ' VAL . 79.2 m -122.09 112.3 18.06 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.491 ' O ' ' HG2' ' A' ' 67' ' ' MET . 50.4 p90 -127.11 165.65 19.14 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.495 0.664 . . . . 0.0 111.478 -174.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.9 m -99.39 151.63 20.87 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.922 -1.035 . . . . 0.0 108.85 173.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.6 m -43.48 -44.5 5.96 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.141 0.496 . . . . 0.0 110.97 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -82.48 94.2 7.4 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 170.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.576 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 6.6 p -134.05 83.01 2.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.25 0.547 . . . . 0.0 110.939 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.27 -65.4 3.59 Favored Glycine 0 CA--C 1.517 0.208 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.936 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.509 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 9.7 Cg_endo -53.71 -36.82 83.08 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.915 2.41 . . . . 0.0 112.838 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.576 ' HB3' ' HB2' ' A' ' 36' ' ' CYS . 53.0 t -64.62 -50.39 67.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.679 0.276 . . . . 0.0 110.467 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' A' ' 40' ' ' LYS . 71.3 mmtt -66.49 -28.33 68.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.818 0.342 . . . . 0.0 110.822 179.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -63.12 -47.25 83.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.447 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.539 HD21 ' HB1' ' A' ' 103' ' ' ALA . 4.2 pp -78.9 -20.07 50.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.2 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.711 ' O ' ' HB2' ' A' ' 47' ' ' PHE . 71.3 m -58.52 -29.94 66.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 111.63 178.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -78.91 -46.88 17.51 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.285 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.536 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 6.8 m -89.24 -40.79 13.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -173.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.8 t -78.89 -33.12 15.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 O-C-N 122.186 -0.321 . . . . 0.0 110.844 -177.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.711 ' HB2' ' O ' ' A' ' 43' ' ' SER . 10.2 m-85 -91.05 19.31 5.82 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -176.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -113.34 -11.52 13.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.247 0.546 . . . . 0.0 110.206 171.562 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -92.0 114.76 27.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.447 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.7 t -69.62 -32.01 70.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.209 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -70.48 -42.22 71.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.616 0.246 . . . . 0.0 111.405 -176.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 84.6 t -61.75 -44.13 98.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.03 0.443 . . . . 0.0 110.081 175.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.555 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -61.34 -48.31 81.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.936 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -57.14 -43.31 82.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.132 178.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -56.19 -47.23 78.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.236 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -74.7 -42.23 58.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.608 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.586 ' HA ' ' OD1' ' A' ' 62' ' ' ASN . 26.1 t-20 -61.97 -37.54 85.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.726 -175.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -83.76 -46.84 11.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.977 -176.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 -84.89 -17.63 37.3 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -170.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -137.56 169.44 17.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.996 0.426 . . . . 0.0 110.88 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.701 ' HB ' ' HG ' ' A' ' 27' ' ' LEU . 61.1 t -92.48 121.8 43.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 173.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.586 ' OD1' ' HA ' ' A' ' 57' ' ' ASN . 7.1 m120 -83.57 115.96 22.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.113 -178.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.558 HD13 ' HB2' ' A' ' 11' ' ' LEU . 45.8 tp -126.61 129.32 48.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.768 0.318 . . . . 0.0 111.274 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.526 ' HB2' ' CB ' ' A' ' 8' ' ' PHE . 61.0 tttm -114.06 127.82 56.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.062 175.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 30.9 ttm -143.15 122.85 13.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.102 0.477 . . . . 0.0 110.367 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.669 ' HB2' ' HG2' ' A' ' 69' ' ' LYS . 4.1 m-20 -93.96 155.44 17.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.132 -173.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.491 ' HG2' ' O ' ' A' ' 32' ' ' PHE . 22.9 mmt -77.91 4.38 12.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.761 -176.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -114.37 9.28 16.84 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.085 0.469 . . . . 0.0 110.333 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.669 ' HG2' ' HB2' ' A' ' 66' ' ' ASP . 69.4 mmtt -104.16 163.86 12.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.726 -178.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.25 -16.32 62.29 Favored Glycine 0 N--CA 1.453 -0.197 0 CA-C-N 115.931 -0.577 . . . . 0.0 114.07 -172.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -112.77 -6.44 13.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.289 0.545 . . . . 0.0 110.962 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.56 -46.26 32.82 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.819 -0.705 . . . . 0.0 113.344 -173.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.2 m -68.7 -19.66 24.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 121.034 -0.267 . . . . 0.0 111.076 -175.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -65.45 -52.01 56.08 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.261 0.553 . . . . 0.0 109.658 177.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 76.7 mt -67.08 -36.05 81.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.637 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.497 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 62.0 ttp180 -57.16 -50.44 72.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.222 -179.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -73.93 -27.98 61.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.129 0.49 . . . . 0.0 110.512 -177.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.5 tttm -73.64 -32.84 64.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.616 -175.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -115.54 16.06 16.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -173.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.12 28.11 70.81 Favored Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 120.926 -0.654 . . . . 0.0 113.173 174.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.539 HG22 HG21 ' A' ' 86' ' ' THR . 30.6 t -79.86 147.13 6.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -127.02 -72.07 0.66 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -175.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -153.76 32.22 0.45 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.082 0.467 . . . . 0.0 111.566 -174.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.676 ' HB3' ' HD2' ' A' ' 85' ' ' PRO . 98.6 m-85 -127.4 178.87 1.39 Allowed Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.625 -178.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.676 ' HD2' ' HB3' ' A' ' 84' ' ' TYR . 57.1 Cg_endo -76.59 130.62 11.84 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 121.725 1.617 . . . . 0.0 110.992 163.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.561 HG23 ' HA ' ' A' ' 101' ' ' VAL . 25.2 m -131.66 129.61 41.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.924 0.393 . . . . 0.0 110.937 -176.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.401 HD22 ' CZ ' ' A' ' 28' ' ' PHE . 60.0 mt -94.99 132.78 39.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.155 -176.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.729 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 94.9 mt -120.92 121.79 38.8 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.891 0.377 . . . . 0.0 111.249 -177.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -102.61 106.78 17.51 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.477 HD12 HG21 ' A' ' 29' ' ' VAL . 58.9 mt -114.14 143.27 24.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.027 0.441 . . . . 0.0 111.329 -172.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.591 ' HA ' HD22 ' A' ' 26' ' ' LEU . 92.2 m-20 -87.76 -167.96 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.876 177.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.594 ' HA ' ' HB1' ' A' ' 20' ' ' ALA . 6.8 m -72.87 -43.9 62.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.576 -177.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.4 m -92.7 28.24 2.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.882 0.372 . . . . 0.0 110.381 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 91' ' ' ASN . . . 84.96 -129.55 9.3 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -170.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 56.84 95.99 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 117.241 0.52 . . . . 0.0 111.918 172.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.7 m -66.41 114.15 3.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.242 0.544 . . . . 0.0 110.489 177.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.3 p -77.81 -29.27 15.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.28 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -150.11 141.78 23.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.901 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -123.64 143.81 50.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.039 0.447 . . . . 0.0 110.732 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.1 tt -152.69 108.38 3.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.759 -176.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.561 ' HA ' HG23 ' A' ' 86' ' ' THR . 48.5 t -92.03 105.64 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.18 175.32 14.34 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.083 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.539 ' HB1' HD21 ' A' ' 42' ' ' LEU . . . -144.91 126.69 15.29 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.416 ' H ' HD13 ' A' ' 109' ' ' LEU . 3.9 mm-40 -99.01 169.07 9.69 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.487 -175.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.602 ' OD1' ' HD2' ' A' ' 107' ' ' PRO . 1.5 p30 -69.91 166.49 19.4 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 110.224 -0.288 . . . . 0.0 110.224 174.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.591 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -46.1 -54.74 15.83 Favored Pre-proline 0 CA--C 1.54 0.585 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -173.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.602 ' HD2' ' OD1' ' A' ' 105' ' ' ASP . 24.3 Cg_exo -63.44 -47.7 7.18 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 122.036 1.824 . . . . 0.0 112.474 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 112' ' ' LYS . 12.1 tp10 -68.96 -32.65 72.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.827 -176.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.416 HD13 ' H ' ' A' ' 104' ' ' GLU . 25.9 tp -67.16 -49.22 65.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.927 -179.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 44.2 tp -61.61 -37.84 85.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.428 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.484 ' HG3' HD23 ' A' ' 115' ' ' LEU . 23.7 ttmm -70.07 -35.07 73.95 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.908 176.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 108' ' ' GLU . 6.0 tppt? -63.47 -44.47 94.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.107 -178.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 11.2 p -72.75 -41.42 61.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.962 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -66.66 -54.68 20.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.605 0.24 . . . . 0.0 111.417 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.484 HD23 ' HG3' ' A' ' 111' ' ' LYS . 4.5 mm? -73.81 -7.43 52.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 111.462 -176.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -90.16 -15.97 56.57 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.348 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.57 -52.63 2.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-O 120.662 0.268 . . . . 0.0 111.209 -177.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -83.72 102.77 12.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.958 0.409 . . . . 0.0 110.59 -176.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.9 m -96.49 -81.23 0.42 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.326 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -114.86 96.09 5.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.032 0.444 . . . . 0.0 110.381 -177.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.788 0 CA-C-O 118.702 -1.054 . . . . 0.0 111.31 -178.147 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -146.85 -86.88 0.1 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.815 0.341 . . . . 0.0 110.293 -178.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -154.97 30.49 0.41 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -97.29 -34.66 10.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.816 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 47' ' ' PHE . . . 171.67 162.67 24.33 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.564 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.561 HG12 ' HA ' ' A' ' 53' ' ' ALA . 29.9 mt -64.91 134.16 29.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.873 0.368 . . . . 0.0 110.52 176.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.87 95.28 8.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.761 -178.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.813 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 89.2 m-85 -82.06 139.16 34.62 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.204 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -119.52 136.79 54.19 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.77 96.19 6.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.481 0.658 . . . . 0.0 111.789 -177.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.423 HD12 ' HG2' ' A' ' 15' ' ' GLU . 3.3 mm? -112.07 167.52 10.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.54 175.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.8 t -70.59 162.02 29.66 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 171.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.64 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 79.3 t80 -59.53 -53.63 63.89 Favored Pre-proline 0 CA--C 1.538 0.488 0 CA-C-O 119.327 -0.368 . . . . 0.0 111.724 -176.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.64 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 52.7 Cg_exo -53.21 -44.88 45.22 Favored 'Trans proline' 0 C--N 1.359 1.098 0 C-N-CA 121.928 1.752 . . . . 0.0 112.181 174.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.645 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 14.6 tp10 -57.89 -55.02 40.29 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.842 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.6 -36.94 82.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.656 -177.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.6 tp -61.73 -49.77 75.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.441 0.639 . . . . 0.0 109.974 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -62.5 -43.44 98.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.922 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.645 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 12.9 mmt180 -57.83 -42.46 84.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.024 178.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.668 ' HA ' ' HB2' ' A' ' 24' ' ' ASP . . . -63.17 -45.63 90.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' OE1' ' HB3' ' A' ' 92' ' ' SER . 7.0 mm-40 -57.09 -37.34 71.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.835 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.7 t -87.81 -55.42 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -176.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -98.94 -33.69 10.75 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -169.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.668 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 15.8 m-20 -110.31 -150.15 0.45 Allowed 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.715 -172.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HG3' ' CD1' ' A' ' 26' ' ' LEU . 50.0 tptt -129.59 -85.37 0.55 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.449 0.166 . . . . 0.0 110.593 178.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.537 ' HG ' ' HA ' ' A' ' 91' ' ' ASN . 8.8 mp -98.75 -176.6 3.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.593 0.235 . . . . 0.0 110.396 177.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.533 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 68.2 tp -110.95 119.81 40.29 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.902 0.382 . . . . 0.0 111.115 -175.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.476 ' HB2' ' CB ' ' A' ' 60' ' ' PHE . 89.1 t80 -98.66 107.38 19.82 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 175.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.579 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 39.3 t -95.0 105.0 16.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.749 -177.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -90.85 110.53 21.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.137 174.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 97.6 m -123.32 113.63 19.12 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.352 176.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.485 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 21.9 p90 -129.09 165.4 21.3 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.54 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.515 HG22 ' H ' ' A' ' 35' ' ' TRP . 28.2 m -99.36 147.82 24.82 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.091 177.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -57.66 -28.65 63.95 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.515 ' H ' HG22 ' A' ' 33' ' ' THR . 84.3 t90 -57.53 111.13 1.02 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.489 171.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.448 ' HB3' ' HE3' ' A' ' 40' ' ' LYS . 91.3 m -79.51 99.34 7.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.234 0.54 . . . . 0.0 111.537 -174.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.8 -116.34 1.86 Allowed Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.367 175.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.466 ' HB2' ' HG3' ' A' ' 85' ' ' PRO . 32.0 Cg_exo -60.43 -28.33 86.54 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 123.023 2.482 . . . . 0.0 112.512 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.7 p -59.19 -35.57 73.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.7 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.448 ' HE3' ' HB3' ' A' ' 36' ' ' CYS . 40.9 ttmt -69.85 -45.53 67.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.741 0.305 . . . . 0.0 110.684 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -66.66 -35.44 80.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.03 0.443 . . . . 0.0 110.217 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.432 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 63.4 tp -60.94 -46.86 88.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.658 177.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.1 t -75.66 -39.56 57.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 -176.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 48' ' ' LYS . 17.6 tppt? -79.58 -42.44 25.0 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -174.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.6 t -94.63 -50.36 11.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -173.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.442 HG13 ' HA ' ' A' ' 106' ' ' ALA . 49.1 t -72.76 -52.31 23.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 111.531 -174.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.438 ' O ' ' HA2' ' A' ' 5' ' ' GLY . 22.6 m-85 -82.21 16.02 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.38 -0.373 . . . . 0.0 112.001 -174.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 44' ' ' LYS . 52.8 tttp -83.89 -31.46 25.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.921 0.391 . . . . 0.0 110.853 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -69.72 139.0 53.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.496 -174.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.9 p -69.08 -37.33 78.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.749 -176.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.49 -41.75 75.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.329 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.0 t -63.89 -44.72 98.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.121 174.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.561 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -56.85 -50.14 73.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.43 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -68.08 -35.48 78.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.431 -177.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -57.89 -51.8 68.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.103 0.478 . . . . 0.0 110.528 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -72.94 -29.88 63.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -70.08 -38.49 75.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.992 0.425 . . . . 0.0 111.493 -178.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -83.73 -40.48 18.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.803 0.335 . . . . 0.0 111.407 -175.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -80.22 -28.01 38.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.41 -174.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.476 ' CB ' ' HB2' ' A' ' 28' ' ' PHE . 78.2 m-85 -136.94 153.95 50.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.236 -177.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.423 HG13 HD12 ' A' ' 27' ' ' LEU . 5.4 p -81.24 127.78 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 168.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -80.18 95.7 6.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.366 -176.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 56.0 tp -104.79 125.5 50.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.593 -178.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.813 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 89.2 tttt -108.2 134.72 50.66 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.241 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.4 mmt -132.03 159.25 39.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.028 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -102.99 157.05 17.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 172.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 41.1 mtt -96.87 -8.84 29.88 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 120.834 0.349 . . . . 0.0 111.351 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -115.0 -40.67 3.45 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.444 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -93.28 117.32 29.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.307 -175.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.97 -116.33 4.64 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.029 -0.605 . . . . 0.0 113.302 172.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -85.98 6.65 27.69 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.345 0.258 . . . . 0.0 111.225 -174.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.26 -57.0 22.02 Favored Glycine 0 N--CA 1.453 -0.172 0 CA-C-N 116.259 -0.428 . . . . 0.0 113.761 -172.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 28.0 m -60.21 -32.67 51.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.806 0.336 . . . . 0.0 111.171 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 44.6 mt-10 -75.35 -46.87 30.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.266 -178.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.42 -36.65 84.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.882 0.372 . . . . 0.0 110.609 178.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.688 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 53.4 ttp180 -62.16 -36.99 83.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.183 177.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -76.68 -26.76 55.12 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.465 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 67.8 mmtt -69.47 -49.52 54.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.812 -178.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -100.8 2.63 41.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.513 -173.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.43 44.05 91.2 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.434 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.688 ' HB ' ' HG3' ' A' ' 76' ' ' ARG . 58.5 t -76.33 125.8 36.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.721 0.296 . . . . 0.0 110.84 -176.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -127.41 12.75 7.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.321 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.03 177.68 5.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.148 -177.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.714 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 77.6 m-85 -92.3 -51.82 0.28 Allowed Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.714 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 58.4 Cg_endo -94.6 110.04 0.15 Allowed 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.397 2.065 . . . . 0.0 112.03 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.8 m -128.0 136.25 51.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.827 0.346 . . . . 0.0 111.071 -175.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.416 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 5.8 mp -125.92 121.9 34.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.299 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.579 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 3.2 mm? -116.54 125.75 52.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.008 0.433 . . . . 0.0 111.055 178.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -101.68 108.27 19.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.43 176.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.533 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 48.8 mm -110.41 141.25 26.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.723 -174.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.537 ' HA ' ' HG ' ' A' ' 26' ' ' LEU . 16.3 t-20 -74.52 172.0 12.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.089 0.471 . . . . 0.0 110.042 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.4 ' HB3' ' OE1' ' A' ' 21' ' ' GLU . 4.6 m -72.6 -15.91 61.73 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.501 -177.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.503 ' HB2' ' HG2' ' A' ' 95' ' ' GLU . 3.9 m -93.56 6.45 48.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.618 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.04 26.38 62.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.939 -176.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.503 ' HG2' ' HB2' ' A' ' 93' ' ' SER . 23.2 mm-40 -97.15 147.73 23.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.527 -0.336 . . . . 0.0 111.018 -176.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 65.4 t -81.78 108.56 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.971 0.415 . . . . 0.0 110.579 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 64.1 t -86.71 -56.84 4.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -178.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -153.57 127.54 8.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.908 -177.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.441 ' HA ' HD13 ' A' ' 88' ' ' LEU . 17.0 ptp180 -95.78 145.18 25.53 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.416 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 25.3 tp -136.23 107.65 6.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.139 0.495 . . . . 0.0 110.639 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 62.9 t -101.15 107.98 22.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.514 177.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.86 144.66 16.97 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -175.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -122.03 136.78 54.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.081 0.467 . . . . 0.0 111.412 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -96.35 -175.88 3.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.776 176.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -71.49 168.92 16.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.561 0.219 . . . . 0.0 111.027 179.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.549 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -46.81 -53.52 25.46 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -171.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.549 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 36.4 Cg_exo -59.9 -50.23 8.15 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 121.927 1.752 . . . . 0.0 112.777 -177.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -74.19 -26.36 60.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.7 -175.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.5 tp -66.6 -49.4 66.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.366 0.603 . . . . 0.0 109.787 174.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 54.3 tp -58.32 -34.66 70.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.686 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -67.69 -44.24 78.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.645 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -65.85 -42.22 90.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.096 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.6 p -66.1 -40.06 86.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.49 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -66.07 -45.48 81.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.01 0.433 . . . . 0.0 110.4 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.3 tp -63.98 -30.7 71.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.343 -177.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.41 -45.2 24.9 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.618 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 48.8 t -75.29 -43.28 43.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.62 0.247 . . . . 0.0 110.853 -177.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -71.91 116.96 12.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.5 m -77.7 109.24 11.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.242 0.544 . . . . 0.0 111.682 -176.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -159.48 -53.61 0.06 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 174.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.529 -1.151 . . . . 0.0 112.35 172.056 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 120.766 0.317 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -95.17 6.12 49.91 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.341 0.591 . . . . 0.0 110.271 -178.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.58 ' HB1' ' HE2' ' A' ' 48' ' ' LYS . . . -131.97 108.16 9.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.133 177.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -93.81 -10.9 32.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.737 -174.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 84.14 -137.49 16.03 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.091 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.419 ' H ' ' HB3' ' A' ' 47' ' ' PHE . 60.0 mt -65.89 116.87 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.911 0.386 . . . . 0.0 110.459 178.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.39 92.23 8.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.022 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 62' ' ' ASN . 96.3 m-85 -71.61 137.89 48.3 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.94 177.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.411 ' O ' HD12 ' A' ' 63' ' ' LEU . 51.9 mtt180 -77.09 156.28 31.83 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.805 -177.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -125.05 94.6 4.22 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 177.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.413 ' H ' HD11 ' A' ' 63' ' ' LEU . 50.7 mt -145.39 167.17 23.58 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.165 -176.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.499 ' HB2' ' HG2' ' A' ' 15' ' ' GLU . 14.7 m -65.22 147.71 52.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 174.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.654 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 65.8 t80 -58.03 -52.71 72.48 Favored Pre-proline 0 CA--C 1.541 0.616 0 CA-C-O 119.4 -0.333 . . . . 0.0 111.873 -177.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.654 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 77.0 Cg_exo -51.04 -43.65 46.79 Favored 'Trans proline' 0 C--N 1.362 1.238 0 C-N-CA 122.333 2.022 . . . . 0.0 112.552 174.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.499 ' HG2' ' HB2' ' A' ' 12' ' ' SER . 40.2 mm-40 -59.63 -50.61 73.21 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.988 178.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.5 -36.72 84.7 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.082 -177.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.2 tp -61.14 -47.2 87.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.545 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -56.19 -51.5 67.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.132 178.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -61.31 -37.9 84.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.128 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.08 -35.78 79.69 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.222 178.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -69.4 -41.42 76.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.871 0.367 . . . . 0.0 111.188 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.2 t -83.98 -48.93 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.98 -174.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -84.0 -32.18 25.08 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -172.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.664 ' OD2' ' HA ' ' A' ' 60' ' ' PHE . 11.7 t70 -135.5 -132.61 0.15 Allowed 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.551 -171.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.643 ' HG3' ' HG ' ' A' ' 26' ' ' LEU . 4.2 ptpt -151.1 -40.25 0.12 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.592 -171.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.643 ' HG ' ' HG3' ' A' ' 25' ' ' LYS . 96.0 mt -135.64 141.62 45.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.056 0.455 . . . . 0.0 110.801 -176.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.58 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 52.6 tp -95.57 115.5 27.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.979 178.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -90.98 107.98 19.55 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.568 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.891 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 38.3 t -99.22 123.1 51.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.948 0.404 . . . . 0.0 111.0 -176.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -99.68 105.03 16.81 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.208 176.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.2 m -110.3 142.44 41.93 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.289 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -152.91 167.0 30.56 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.466 -178.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.5 p -98.98 154.97 17.67 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.016 174.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.5 m -73.33 -16.18 61.37 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.203 0.525 . . . . 0.0 109.883 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -61.8 108.86 1.08 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.326 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 66.1 m 59.7 -159.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.527 0.517 . . . . 0.0 110.249 -178.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.07 75.46 0.41 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.314 -0.946 . . . . 0.0 112.246 175.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.55 -46.33 5.54 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.56 2.174 . . . . 0.0 111.984 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.6 t -81.12 -36.37 30.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.112 0.482 . . . . 0.0 109.732 176.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -60.24 -24.48 64.9 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.037 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -57.73 -47.24 83.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.056 175.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.1 mp -72.35 -31.55 65.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.499 -177.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.436 ' HA ' ' HB2' ' A' ' 47' ' ' PHE . 11.2 m -58.4 -29.78 66.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.121 0.486 . . . . 0.0 110.837 177.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.421 ' NZ ' ' HB2' ' A' ' 44' ' ' LYS . 4.2 ttmp? -69.56 -58.99 3.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.512 -177.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.5 t -110.78 -53.11 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -177.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 73.6 t -55.96 -49.98 72.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -173.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.436 ' HB2' ' HA ' ' A' ' 43' ' ' SER . 19.5 m-30 -73.37 1.81 8.89 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -175.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.58 ' HE2' ' HB1' ' A' ' 3' ' ' ALA . 4.4 mmmp? -92.33 -11.12 35.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.706 0.288 . . . . 0.0 110.584 176.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -65.61 126.09 27.26 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.2 m -69.26 -35.38 76.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.645 -173.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.3 mt -69.21 -52.44 27.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.753 0.311 . . . . 0.0 111.228 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.57 HG21 ' HB1' ' A' ' 106' ' ' ALA . 78.2 t -62.91 -44.48 99.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.188 -178.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.93 -48.93 79.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.998 0.428 . . . . 0.0 110.375 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.53 -36.75 79.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.173 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -65.49 -59.27 4.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.108 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -64.51 -30.96 71.99 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -177.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -72.23 -44.47 62.86 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.7 ttp-105 -89.44 -34.96 16.27 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -175.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.478 ' O ' ' HE3' ' A' ' 25' ' ' LYS . 86.0 m-70 -88.83 -12.55 41.62 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -173.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.664 ' HA ' ' OD2' ' A' ' 24' ' ' ASP . 85.3 m-85 -148.14 176.1 10.49 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.451 HG23 ' CB ' ' A' ' 24' ' ' ASP . 82.1 t -111.59 117.55 55.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 171.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.431 ' HB2' ' CD1' ' A' ' 8' ' ' PHE . 4.3 p30 -97.18 132.71 42.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.458 0.647 . . . . 0.0 111.556 -177.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.413 HD11 ' H ' ' A' ' 11' ' ' LEU . 15.1 tp -136.29 129.61 31.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.709 -177.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.481 ' HD3' ' O ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -96.45 150.75 20.26 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.548 178.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 53.4 ttm -148.93 128.12 12.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.823 0.344 . . . . 0.0 110.842 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -70.81 155.71 40.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.712 173.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 43.1 ttm -94.01 -8.34 40.21 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.2 0.524 . . . . 0.0 110.706 -177.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -114.88 15.49 17.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.218 0.533 . . . . 0.0 110.361 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -149.76 151.82 34.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.328 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.01 46.68 90.72 Favored Glycine 0 CA--C 1.517 0.217 0 O-C-N 123.426 0.454 . . . . 0.0 113.826 172.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 67.84 15.61 9.61 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 122.751 0.42 . . . . 0.0 112.05 176.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.99 -32.72 81.21 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.152 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.77 -32.91 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.943 0.401 . . . . 0.0 110.487 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -67.86 -43.24 79.91 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.508 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 78.8 mt -66.49 -33.95 76.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.568 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -55.18 -50.11 70.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.514 176.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -74.16 -32.08 62.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.996 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -61.79 -49.16 77.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.271 -176.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -96.0 -4.19 43.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.402 -176.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.74 51.61 55.75 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.269 -0.491 . . . . 0.0 112.223 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.9 p -70.82 134.3 30.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.101 0.477 . . . . 0.0 111.368 -176.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -110.37 -6.92 14.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.847 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -110.17 -176.32 2.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.007 -176.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.564 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 94.0 m-85 -92.75 -47.0 0.31 Allowed Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -177.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.564 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 95.5 Cg_endo -92.56 147.32 2.76 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 121.871 1.714 . . . . 0.0 112.117 174.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.6 m -151.66 128.29 10.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.733 0.302 . . . . 0.0 111.067 178.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.696 HD12 HD23 ' A' ' 100' ' ' LEU . 86.4 mt -109.08 130.54 55.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.976 0.417 . . . . 0.0 109.893 176.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.891 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 3.1 mm? -116.83 139.72 50.28 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.819 -175.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -114.9 106.14 13.82 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 176.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.58 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 46.2 mm -102.35 136.33 35.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.894 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.465 HD21 ' HG3' ' A' ' 95' ' ' GLU . 33.9 p30 -91.1 178.81 5.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.976 0.417 . . . . 0.0 110.951 -178.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 t -75.87 -13.94 60.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 -175.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.8 t -74.06 -21.36 59.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.44 177.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 97.19 29.9 7.7 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.149 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.465 ' HG3' HD21 ' A' ' 91' ' ' ASN . 8.6 pt-20 -142.59 167.34 22.33 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.6 p -84.84 137.16 21.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.254 0.55 . . . . 0.0 111.012 -176.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 12.9 p -95.69 -31.77 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.819 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -166.16 150.5 7.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.647 ' HD3' ' H ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -121.63 134.25 54.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 177.596 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.696 HD23 HD12 ' A' ' 87' ' ' LEU . 32.9 tp -111.2 114.21 27.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.387 -177.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 44.6 t -102.08 101.19 11.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.916 0.389 . . . . 0.0 110.065 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.56 135.06 8.61 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.923 -0.655 . . . . 0.0 111.691 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -127.05 141.89 51.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.937 0.399 . . . . 0.0 110.757 -176.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -100.58 -175.61 2.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.373 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -60.52 169.56 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.436 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.595 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -48.46 -55.42 19.24 Favored Pre-proline 0 CA--C 1.542 0.637 0 N-CA-C 113.372 0.878 . . . . 0.0 113.372 -173.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.595 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 24.1 Cg_exo -63.7 -46.27 9.34 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 121.872 1.715 . . . . 0.0 112.474 -178.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -67.92 -29.5 68.6 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.046 -177.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.7 tp -58.94 -55.84 29.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.92 0.391 . . . . 0.0 110.973 178.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 107' ' ' PRO . 3.1 pp -64.7 -31.17 72.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.289 -176.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -68.93 -51.23 42.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.236 0.541 . . . . 0.0 110.063 175.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -59.26 -38.78 80.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.677 -176.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.477 ' O ' HG22 ' A' ' 117' ' ' VAL . 12.2 p -70.61 -40.39 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.861 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -61.67 -49.19 77.51 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 120.804 0.335 . . . . 0.0 111.446 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.78 -24.8 59.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.022 0.439 . . . . 0.0 110.873 -177.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -70.91 -50.08 25.41 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.629 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 113' ' ' VAL . 30.8 m -84.43 2.81 3.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.943 0.401 . . . . 0.0 110.914 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 64.17 -171.7 0.18 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.395 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.4 m -146.89 121.19 9.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.543 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -83.43 139.71 32.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.682 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.845 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.493 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.643 0.259 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -159.38 -58.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.598 -0.273 . . . . 0.0 110.333 177.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 55.11 72.0 0.5 Allowed 'General case' 0 C--O 1.233 0.21 0 O-C-N 123.805 0.69 . . . . 0.0 111.41 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -74.49 96.18 2.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.59 0.709 . . . . 0.0 109.81 177.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.491 ' HA2' ' O ' ' A' ' 47' ' ' PHE . . . 117.0 100.42 2.13 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -173.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.581 HG23 ' HB1' ' A' ' 53' ' ' ALA . 9.9 pt -58.91 148.01 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.035 0.445 . . . . 0.0 111.942 -177.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -103.87 123.15 46.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.974 -170.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.708 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 90.3 m-85 -67.49 103.36 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.768 172.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -82.76 141.77 32.11 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -106.62 121.25 43.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.111 -169.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 44.0 mt -137.91 161.11 37.51 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.728 175.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.6 t -76.27 165.76 24.42 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.091 177.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.502 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 74.4 t80 -55.02 -53.02 66.12 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.055 -177.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 11.3 Cg_endo -55.41 -34.44 89.09 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.237 1.958 . . . . 0.0 112.769 178.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 19' ' ' ARG . 16.7 mm-40 -70.29 -53.68 15.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.87 178.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.89 -38.41 88.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.085 -177.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.0 tp -57.14 -54.01 51.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.534 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -64.86 -41.37 95.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.79 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -57.79 -45.91 85.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.685 -178.459 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.63 -31.14 67.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.917 0.389 . . . . 0.0 110.769 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -70.47 -46.16 64.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.631 -178.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.9 m -77.89 -31.11 16.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -174.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -90.9 -18.69 24.33 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.654 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.3 t70 55.53 76.95 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.731 0.777 . . . . 0.0 110.541 -175.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -142.35 151.79 42.26 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.412 177.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.12 112.43 9.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.291 0.567 . . . . 0.0 109.958 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.3 tp -75.11 128.27 35.13 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.493 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -113.59 104.31 12.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.574 176.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.705 HG22 HD23 ' A' ' 63' ' ' LEU . 56.1 t -98.67 117.62 43.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.429 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -79.77 99.02 7.27 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 173.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.624 ' HB3' ' SD ' ' A' ' 67' ' ' MET . 86.6 m -97.31 111.56 23.75 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 174.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -120.49 160.08 23.87 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.034 -172.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.736 ' HB ' ' CE3' ' A' ' 35' ' ' TRP . 17.5 p -100.72 148.58 24.73 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 167.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.7 t -76.77 11.1 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.847 0.356 . . . . 0.0 111.521 -174.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.736 ' CE3' ' HB ' ' A' ' 33' ' ' THR . 1.1 m-90 -66.02 83.08 0.08 Allowed 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 173.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 64.2 m 70.87 -52.58 0.68 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.837 0.855 . . . . 0.0 111.516 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.39 82.7 1.09 Allowed Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.404 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 32.5 Cg_exo -58.38 -38.39 90.63 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.82 2.347 . . . . 0.0 112.424 -176.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.7 p -67.56 -20.15 65.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.701 -178.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -65.16 -54.02 36.12 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.942 0.401 . . . . 0.0 110.144 176.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 41' ' ' ARG . 20.5 ttt180 -63.33 -37.95 89.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.391 179.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.612 ' O ' HG22 ' A' ' 46' ' ' VAL . 95.6 mt -62.36 -46.52 88.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.755 177.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.4 t -53.17 -34.21 55.94 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 122.699 0.4 . . . . 0.0 111.572 -176.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.85 -35.63 81.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.993 -177.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 51.4 t -108.69 -46.81 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -172.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 42' ' ' LEU . 16.6 m -77.14 -21.93 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -170.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.491 ' O ' ' HA2' ' A' ' 5' ' ' GLY . 28.1 m-85 -113.92 24.67 11.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.855 0.36 . . . . 0.0 111.276 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -88.84 -30.52 18.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.94 -175.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -72.0 135.09 46.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.968 -177.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.9 t -68.24 -41.71 80.79 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.557 -175.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.2 mt -68.9 -49.55 57.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.748 0.308 . . . . 0.0 110.822 -177.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 96.3 t -59.79 -45.24 94.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.704 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.581 ' HB1' HG23 ' A' ' 6' ' ' ILE . . . -57.58 -50.83 71.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.812 -176.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -63.99 -50.86 66.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.449 -177.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -61.9 -46.41 89.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.976 -177.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -67.91 -51.55 46.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.249 -175.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.554 ' HB2' HG21 ' A' ' 6' ' ' ILE . 12.6 t30 -68.8 -30.81 69.46 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -171.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.454 HH11 ' HD2' ' A' ' 58' ' ' ARG . 45.1 mtm180 -86.75 -24.81 24.98 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.281 -0.568 . . . . 0.0 112.384 -177.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -91.98 -39.36 11.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.909 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -110.37 117.35 33.39 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.6 t -73.38 115.99 15.06 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.414 -175.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.75 110.17 16.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.167 0.508 . . . . 0.0 110.291 -179.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.705 HD23 HG22 ' A' ' 29' ' ' VAL . 52.7 tp -114.7 142.81 46.0 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.66 178.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.708 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 29.6 ttmt -116.05 121.01 40.94 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 84.1 mtp -138.75 150.78 46.49 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.798 0.332 . . . . 0.0 110.444 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -90.86 158.92 16.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.307 0.575 . . . . 0.0 110.629 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.624 ' SD ' ' HB3' ' A' ' 31' ' ' CYS . 53.1 mtm -115.01 5.17 14.91 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.582 178.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -114.34 -40.28 3.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.627 175.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -118.87 150.51 39.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.171 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 74.41 54.3 6.22 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.94 -0.648 . . . . 0.0 113.133 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 64.89 21.03 12.27 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.062 0.458 . . . . 0.0 111.221 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.51 -32.31 71.37 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.679 -177.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 29.6 m -59.66 -33.75 52.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.755 0.312 . . . . 0.0 111.25 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -67.04 -44.64 79.66 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 178.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.4 -47.32 86.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.66 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' HA ' ' CG2' ' A' ' 81' ' ' VAL . 53.4 ttp180 -54.68 -47.96 72.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.625 -177.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -76.48 -30.86 57.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.691 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -71.39 -41.33 69.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.275 -173.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.561 ' HA ' ' NH1' ' A' ' 99' ' ' ARG . 50.1 m-85 -102.35 6.32 40.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.528 -174.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 61.21 58.26 14.35 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.606 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.609 HG21 ' SD ' ' A' ' 67' ' ' MET . 67.3 t -73.67 117.86 18.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.122 0.486 . . . . 0.0 110.893 -178.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -134.99 35.09 3.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.963 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -149.76 -177.1 5.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.012 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.888 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 63.8 m-85 -92.16 -56.17 0.25 Allowed Pre-proline 0 C--N 1.327 -0.411 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.662 176.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.888 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 8.8 Cg_endo -90.96 118.29 0.58 Allowed 'Trans proline' 0 N--CA 1.449 -1.1 0 C-N-CA 122.369 2.046 . . . . 0.0 111.252 170.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.575 ' HB ' ' HB2' ' A' ' 31' ' ' CYS . 6.5 m -116.14 121.14 41.26 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.887 0.375 . . . . 0.0 110.528 -178.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.683 HD11 ' HB2' ' A' ' 103' ' ' ALA . 5.9 mp -97.93 108.99 21.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.192 -175.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.583 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 3.9 mm? -95.79 130.62 42.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.157 0.503 . . . . 0.0 111.254 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -120.35 105.02 10.5 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.731 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.7 mp -118.08 140.08 42.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.49 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -82.83 172.02 13.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.575 -178.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.2 m -62.48 -18.91 62.9 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.941 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.4 m -89.07 2.5 53.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.227 -178.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 82.47 0.72 90.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.368 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -91.88 159.82 15.59 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.3 m -90.91 137.05 22.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.152 0.501 . . . . 0.0 110.758 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 42.9 t -96.42 -55.33 6.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.914 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -141.52 144.01 34.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.686 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.561 ' NH1' ' HA ' ' A' ' 79' ' ' TYR . 47.2 mtt180 -108.91 141.02 41.59 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 177.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.476 HD23 HD22 ' A' ' 87' ' ' LEU . 45.0 tp -152.46 111.23 3.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.159 0.504 . . . . 0.0 111.862 -175.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.517 HG12 HG23 ' A' ' 86' ' ' THR . 25.1 m -101.15 128.35 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.793 172.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.72 135.71 8.99 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.537 -176.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.683 ' HB2' HD11 ' A' ' 87' ' ' LEU . . . -118.67 143.23 46.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.901 0.381 . . . . 0.0 111.473 -174.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.496 ' HB3' ' HB2' ' A' ' 108' ' ' GLU . 70.3 mm-40 -105.1 -175.34 2.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.294 176.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.451 ' HA ' HG12 ' A' ' 46' ' ' VAL . 1.2 p-10 -75.9 173.36 11.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.8 175.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.528 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -51.56 -50.87 74.45 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -172.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 43.3 Cg_exo -58.2 -46.41 25.37 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.857 1.704 . . . . 0.0 112.473 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 104' ' ' GLU . 31.0 mm-40 -71.91 -27.9 63.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.082 -179.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 45.0 tp -60.08 -57.56 12.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.036 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.405 ' HA ' HG22 ' A' ' 113' ' ' VAL . 93.7 mt -60.92 -31.77 71.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.578 178.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.459 ' O ' ' HG ' ' A' ' 115' ' ' LEU . 23.1 tptm -62.37 -52.05 65.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.414 177.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -69.54 -37.77 77.22 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -175.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.405 HG22 ' HA ' ' A' ' 110' ' ' LEU . 35.5 m -64.36 -39.75 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.223 0 CA-C-N 118.096 0.407 . . . . 0.0 111.173 -179.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -67.61 -34.47 77.06 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.268 176.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 97.4 mt -73.48 -33.27 64.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.052 0.454 . . . . 0.0 110.768 178.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -69.24 -42.04 76.96 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.859 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 32.4 m -90.27 -19.36 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 122.721 -0.282 . . . . 0.0 111.015 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 56.16 82.83 0.1 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.365 -174.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.8 t -68.78 100.94 1.23 Allowed 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.811 -176.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -149.45 90.3 1.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.847 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.828 -0.984 . . . . 0.0 111.585 -179.34 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.939 0.4 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -115.81 -178.4 3.38 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 175.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.25 92.43 9.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.082 0.468 . . . . 0.0 110.508 177.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -92.6 -29.81 15.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.342 176.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -130.34 -137.91 4.25 Favored Glycine 0 N--CA 1.44 -1.053 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.493 177.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.0 mt -80.96 115.62 23.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.82 118.63 30.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.669 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.636 ' HE2' ' HE2' ' A' ' 47' ' ' PHE . 96.6 m-85 -91.34 141.34 28.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.549 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.599 ' HG2' ' O ' ' A' ' 62' ' ' ASN . 19.4 ptp180 -103.69 121.03 42.12 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.151 0.501 . . . . 0.0 109.666 177.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -87.56 101.82 13.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.177 0.513 . . . . 0.0 111.03 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.8 mt -125.33 165.24 18.72 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.385 174.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.427 ' HB2' ' HG2' ' A' ' 15' ' ' GLU . 3.0 m -67.31 154.61 40.91 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 173.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.445 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 89.8 t80 -53.86 -54.56 45.29 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-O 119.694 -0.193 . . . . 0.0 111.357 -178.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 19.5 Cg_endo -59.7 -38.17 82.76 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 121.96 1.773 . . . . 0.0 112.526 176.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.427 ' HG2' ' HB2' ' A' ' 12' ' ' SER . 55.3 mm-40 -60.14 -51.55 69.12 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.091 0.472 . . . . 0.0 111.066 178.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HB2' HD13 ' A' ' 63' ' ' LEU . . . -68.61 -35.0 76.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.93 -177.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.5 tp -63.45 -41.38 98.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.455 0.645 . . . . 0.0 109.448 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -60.56 -45.59 93.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.406 176.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -58.71 -41.74 87.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.919 175.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.66 -32.93 73.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.053 0.454 . . . . 0.0 110.936 177.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -67.65 -50.07 59.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.1 t -73.88 -43.41 52.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.722 -174.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -78.5 -17.73 55.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.936 -178.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.2 t70 67.35 21.23 9.84 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.505 0.669 . . . . 0.0 111.306 173.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -109.57 165.21 11.84 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.055 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.414 HD12 ' HE1' ' A' ' 60' ' ' PHE . 91.3 mt -74.9 143.11 43.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.677 -177.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.624 ' HB3' HG23 ' A' ' 90' ' ' ILE . 60.4 tp -90.58 113.97 26.11 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.776 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -90.94 106.0 18.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.326 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.657 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 39.5 t -93.3 110.43 23.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 120.929 0.395 . . . . 0.0 110.81 -176.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -91.06 107.87 19.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.09 176.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 74.9 m -116.59 113.51 22.82 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.105 176.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -129.93 155.42 46.09 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.075 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.06 157.66 16.59 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 176.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.8 p -57.48 -28.43 63.38 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -176.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 13.7 m-90 -67.97 102.63 1.32 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.958 0.408 . . . . 0.0 109.933 175.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 58.7 m -90.65 110.64 21.8 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -176.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.15 -94.83 0.72 Allowed Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.726 178.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.575 ' HG2' ' HG3' ' A' ' 85' ' ' PRO . 13.0 Cg_endo -57.82 -28.35 81.98 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 123.003 2.469 . . . . 0.0 112.499 177.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.6 t -64.68 -27.37 68.87 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.554 178.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -70.22 -42.15 72.67 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -60.16 -45.59 92.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.245 0.545 . . . . 0.0 109.682 176.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.579 HD13 ' HB1' ' A' ' 103' ' ' ALA . 45.7 tp -56.98 -51.98 67.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.928 178.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.69 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 21.1 m -66.57 -31.14 71.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.416 -177.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -66.32 -36.62 83.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.51 -176.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.575 HG13 HG23 ' A' ' 46' ' ' VAL . 13.1 p -105.31 -45.55 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -173.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.575 HG23 HG13 ' A' ' 45' ' ' VAL . 61.7 t -79.17 -43.16 24.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.072 -175.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.69 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 8.2 m-85 -80.28 38.73 0.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -171.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -134.42 -10.63 2.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.079 0.466 . . . . 0.0 110.555 173.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.438 ' OD1' ' HG ' ' A' ' 51' ' ' LEU . 12.1 t70 -85.41 131.86 34.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.921 -175.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.1 t -70.92 -55.53 8.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.8 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.517 HD23 ' H ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -70.87 -39.32 72.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.806 -170.585 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 82.3 t -63.15 -45.45 98.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.856 0.36 . . . . 0.0 110.291 177.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.37 -45.93 88.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -59.68 -44.42 93.64 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.642 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -55.32 -50.44 69.6 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.048 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -68.19 -49.16 62.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.12 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.525 ' HA ' ' ND2' ' A' ' 62' ' ' ASN . 64.7 t30 -62.03 -30.07 70.71 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.838 0.351 . . . . 0.0 111.533 -175.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -80.98 -46.19 15.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.698 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -87.2 -21.98 25.55 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -173.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.414 ' HE1' HD12 ' A' ' 26' ' ' LEU . 41.8 m-85 -128.13 134.55 49.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.525 HG23 HD12 ' A' ' 27' ' ' LEU . 3.8 m -83.57 110.28 18.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.305 0.574 . . . . 0.0 109.684 174.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.599 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 41.3 m-80 -80.59 103.45 10.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.174 -172.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.43 ' HG ' ' HG3' ' A' ' 65' ' ' MET . 58.1 tp -99.83 127.99 45.95 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.748 -178.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -93.32 117.51 30.17 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.419 176.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.43 ' HG3' ' HG ' ' A' ' 63' ' ' LEU . 86.7 mtp -127.75 112.99 15.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.084 0.469 . . . . 0.0 110.604 177.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.575 ' HB2' ' HB2' ' A' ' 69' ' ' LYS . 4.4 m-20 -68.37 136.06 52.78 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.432 179.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 50.6 mtt -74.22 -15.57 60.99 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.259 0.552 . . . . 0.0 111.116 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -114.49 36.39 3.8 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 122.095 0.95 . . . . 0.0 109.626 -174.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.592 ' HG2' ' H ' ' A' ' 70' ' ' GLY . 77.4 tttt -105.84 -179.74 4.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.027 -1.442 . . . . 0.0 110.126 -176.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.592 ' H ' ' HG2' ' A' ' 69' ' ' LYS . . . -58.69 -31.32 67.22 Favored Glycine 0 C--N 1.334 0.451 0 C-N-CA 121.684 -0.293 . . . . 0.0 112.906 179.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.541 ' O ' HD23 ' A' ' 75' ' ' LEU . 2.9 mp0 -107.43 7.43 28.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.023 0.44 . . . . 0.0 110.173 176.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.95 -46.1 68.89 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.962 -0.637 . . . . 0.0 113.342 -172.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.3 m -69.2 -22.64 26.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.503 0.192 . . . . 0.0 110.813 -175.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.64 -54.9 24.53 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 174.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' ' 71' ' ' GLU . 2.5 mm? -58.39 -36.0 72.87 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.655 178.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.463 ' HG2' ' CG2' ' A' ' 81' ' ' VAL . 12.0 mtp180 -58.62 -44.37 89.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.644 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -76.5 -41.3 47.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.042 0.448 . . . . 0.0 110.459 178.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -57.8 -49.21 77.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.256 -176.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -104.01 2.94 32.84 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.846 -176.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 53.31 63.89 4.67 Favored Glycine 0 C--N 1.333 0.412 0 CA-C-N 115.528 -0.76 . . . . 0.0 113.03 176.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.495 HG12 HG21 ' A' ' 86' ' ' THR . 19.3 m -83.36 143.35 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-O 121.085 0.469 . . . . 0.0 110.895 -177.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -137.37 -22.03 1.15 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.312 176.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.1 176.82 6.82 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 174.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.597 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 36.1 m-85 -91.15 -49.19 0.34 Allowed Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.597 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 98.6 Cg_endo -90.05 110.04 0.41 Allowed 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 121.508 1.472 . . . . 0.0 112.212 174.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.495 HG21 HG12 ' A' ' 81' ' ' VAL . 37.8 m -131.71 118.28 19.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.923 0.392 . . . . 0.0 110.691 -179.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.585 HD12 HD23 ' A' ' 100' ' ' LEU . 82.6 mt -109.07 143.36 38.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.536 -175.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.657 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 3.0 mm? -128.63 141.81 51.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.882 0.373 . . . . 0.0 111.485 -177.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -115.99 114.87 25.2 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.241 174.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.624 HG23 ' HB3' ' A' ' 27' ' ' LEU . 15.3 tt -130.03 145.68 35.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.918 0.389 . . . . 0.0 111.41 -173.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -80.88 169.74 17.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.917 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -63.7 -27.07 68.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.171 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 p -81.89 -7.43 59.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.537 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.571 ' HA2' HD11 ' A' ' 90' ' ' ILE . . . 90.32 32.81 9.2 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.305 -0.95 . . . . 0.0 112.082 -177.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -104.28 130.67 52.09 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.471 -0.196 . . . . 0.0 110.471 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.2 t -86.71 114.53 26.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 27.3 m -88.86 -28.1 5.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.14 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -165.54 138.26 4.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.139 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.594 ' H ' ' HD2' ' A' ' 99' ' ' ARG . 0.8 OUTLIER -112.12 140.51 46.75 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 175.534 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.585 HD23 HD12 ' A' ' 87' ' ' LEU . 33.0 tp -124.73 126.79 46.23 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.012 0.434 . . . . 0.0 110.997 -176.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 49.1 t -124.03 109.91 24.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.784 177.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.12 158.26 19.77 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.475 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.579 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -145.41 115.06 7.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.077 0.465 . . . . 0.0 111.534 -174.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -100.94 -174.9 2.73 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.064 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.24 162.93 3.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 177.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.591 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -47.63 -54.24 24.44 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -172.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.591 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 25.4 Cg_exo -62.67 -38.58 49.29 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.689 1.593 . . . . 0.0 111.953 -179.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -69.11 -44.51 72.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.571 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.408 HD22 HD11 ' A' ' 42' ' ' LEU . 37.6 tp -60.14 -50.56 73.22 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.978 178.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.482 ' HA ' HG22 ' A' ' 113' ' ' VAL . 54.0 tp -60.23 -37.33 80.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.07 179.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.463 ' O ' HD23 ' A' ' 115' ' ' LEU . 26.1 tptp -60.66 -45.52 93.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.006 0.432 . . . . 0.0 109.995 178.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -61.0 -53.91 51.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.528 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.482 HG22 ' HA ' ' A' ' 110' ' ' LEU . 17.9 m -67.88 -34.63 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.212 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.916 -175.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.543 ' O ' ' HB2' ' A' ' 118' ' ' GLU . 23.5 ttmm -63.43 -39.8 95.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.783 0.325 . . . . 0.0 110.891 -179.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 111' ' ' LYS . 4.5 mm? -75.71 -12.6 60.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.978 0.418 . . . . 0.0 110.983 178.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -91.58 -44.53 4.25 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.383 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 62.4 t -84.15 -43.64 17.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -176.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.543 ' HB2' ' O ' ' A' ' 114' ' ' LYS . 0.5 OUTLIER -74.29 87.55 1.99 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 111.574 -177.018 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.3 t 65.69 98.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.993 173.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -82.74 -32.2 28.0 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 172.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.08 -1.4 . . . . 0.0 110.983 178.694 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.867 0.365 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.2 mp0 -127.68 172.69 10.55 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.32 65.21 7.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.276 0.56 . . . . 0.0 109.682 174.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -108.93 -51.62 2.86 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.77 -178.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.74 -145.57 48.94 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.529 -0.76 . . . . 0.0 113.545 176.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.46 ' HB ' ' CE2' ' A' ' 47' ' ' PHE . 64.9 mt -81.21 121.1 34.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.014 0.435 . . . . 0.0 110.214 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.83 103.19 15.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.597 -177.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.767 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 64.2 m-85 -83.72 119.42 24.77 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.039 178.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 -83.53 119.11 24.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.761 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -80.98 97.0 7.28 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.14 -178.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.479 HD22 ' HG2' ' A' ' 15' ' ' GLU . 94.5 mt -122.38 167.32 13.43 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.063 -178.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.468 ' OG ' ' HB2' ' A' ' 15' ' ' GLU . 49.7 p -82.39 176.69 9.23 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 176.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -57.84 -56.97 29.07 Favored Pre-proline 0 CA--C 1.54 0.564 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.49 179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -64.33 -36.69 43.98 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 121.794 1.663 . . . . 0.0 112.279 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.479 ' HG2' HD22 ' A' ' 11' ' ' LEU . 6.4 tp10 -58.9 -49.58 77.24 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.786 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.88 99.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.435 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 17' ' ' LEU . 1.3 tm? -61.22 -49.77 75.78 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -60.9 -40.87 94.72 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.899 177.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.476 ' HA ' HG22 ' A' ' 22' ' ' VAL . 10.3 tpp180 -60.98 -43.66 98.5 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.045 -178.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.512 ' HA ' HG21 ' A' ' 61' ' ' VAL . . . -62.67 -35.63 80.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.918 0.389 . . . . 0.0 110.793 178.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -76.14 -43.33 43.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.471 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.476 HG22 ' HA ' ' A' ' 19' ' ' ARG . 35.9 m -69.46 -29.8 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -175.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -94.51 -16.7 23.09 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.165 174.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.9 t70 56.19 71.66 0.55 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.294 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.449 ' HB2' HG23 ' A' ' 61' ' ' VAL . 96.8 mttt -143.05 174.55 10.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.603 -177.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.444 HD12 ' HE1' ' A' ' 60' ' ' PHE . 91.2 mt -81.27 135.24 35.71 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 176.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.5 tp -90.65 113.04 25.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.781 -176.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -99.47 108.42 20.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.347 176.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.536 ' HB ' ' HB3' ' A' ' 88' ' ' LEU . 31.3 t -99.7 113.39 34.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.519 -177.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -87.14 109.67 19.61 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 175.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.521 ' HB2' ' HB ' ' A' ' 86' ' ' THR . 62.4 m -110.39 111.87 23.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.849 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.456 ' O ' ' HB2' ' A' ' 67' ' ' MET . 45.4 p90 -123.14 154.11 39.09 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.844 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.723 ' HB ' ' HD1' ' A' ' 35' ' ' TRP . 12.6 p -99.63 160.39 14.33 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.149 0.5 . . . . 0.0 110.917 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.06 11.54 6.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.189 -177.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.723 ' HD1' ' HB ' ' A' ' 33' ' ' THR . 35.2 m95 -76.11 -74.84 0.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.062 -175.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.8 m -119.31 -164.04 1.02 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -177.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.09 61.92 0.63 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.411 -0.9 . . . . 0.0 113.233 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -66.62 -26.49 46.28 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.208 1.938 . . . . 0.0 110.888 175.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.2 m -68.71 -26.79 65.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.513 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -67.88 -44.86 76.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.786 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -63.62 -36.99 85.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.208 176.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.0 tp -60.37 -41.55 93.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.296 175.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.65 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 25.8 m -65.89 -30.39 70.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.334 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -59.3 -45.22 91.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.042 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.7 t -97.67 -51.29 10.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.009 -174.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.9 t -76.92 -46.61 29.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -171.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.65 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 5.0 m-85 -74.7 10.87 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -172.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -104.18 -17.7 14.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.9 0.381 . . . . 0.0 110.485 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.745 ' HB3' HG22 ' A' ' 52' ' ' VAL . 9.2 t70 -72.25 127.67 33.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.062 -178.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.2 m -69.63 -32.1 70.59 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.509 -177.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.6 tp -72.05 -50.19 30.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.051 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.745 HG22 ' HB3' ' A' ' 49' ' ' ASP . 19.6 m -57.21 -39.2 65.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.98 0.419 . . . . 0.0 111.71 -175.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.64 -52.89 63.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.316 178.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.63 -34.18 76.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.437 0.636 . . . . 0.0 109.96 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.428 ' O ' ' HB2' ' A' ' 59' ' ' HIS . 42.5 t80 -54.19 -58.72 6.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.623 -1.171 . . . . 0.0 110.56 177.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -76.98 -50.01 14.15 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -176.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.401 ' HA ' ' ND2' ' A' ' 62' ' ' ASN . 90.8 m-20 -60.64 -33.65 73.1 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -171.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -89.55 -42.73 11.26 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 55' ' ' TYR . 58.5 m-70 -82.34 -30.56 30.31 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -173.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.444 ' HE1' HD12 ' A' ' 26' ' ' LEU . 67.6 m-85 -122.44 166.03 15.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.933 0.397 . . . . 0.0 111.35 -173.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.512 HG21 ' HA ' ' A' ' 20' ' ' ALA . 62.1 t -95.19 110.22 23.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 173.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' A' ' 57' ' ' ASN . 33.7 m-80 -92.98 111.14 22.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.907 0.384 . . . . 0.0 110.54 -176.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.431 HD23 HG13 ' A' ' 29' ' ' VAL . 50.9 tp -109.89 136.94 48.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.24 -176.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.767 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 56.7 tttm -114.7 122.11 45.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.982 175.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 85.3 mtp -136.27 158.48 44.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.475 0.178 . . . . 0.0 110.584 178.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.95 156.13 17.06 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.25 0.548 . . . . 0.0 110.762 177.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.485 ' SD ' ' HB3' ' A' ' 31' ' ' CYS . 4.8 tpt -95.23 -21.39 18.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.123 -0.944 . . . . 0.0 112.766 -166.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -113.98 93.8 4.53 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.825 0.821 . . . . 0.0 109.852 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.439 ' HG2' ' H ' ' A' ' 71' ' ' GLU . 21.8 ttmm -163.3 160.99 24.44 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 113.874 -1.512 . . . . 0.0 107.478 -177.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -53.49 -39.9 60.94 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.114 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.439 ' H ' ' HG2' ' A' ' 69' ' ' LYS . 2.4 mp0 -80.4 -37.39 32.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.667 0.27 . . . . 0.0 110.819 177.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.88 -43.74 98.79 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.819 -178.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.0 p -67.24 -28.63 43.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.871 0.367 . . . . 0.0 110.562 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -69.3 -46.02 68.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.184 0.516 . . . . 0.0 109.907 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 82.8 mt -67.25 -34.72 78.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.592 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -60.44 -39.15 86.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.213 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -76.33 -36.2 58.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.445 176.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -63.12 -38.53 91.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.7 -174.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -109.63 -9.16 14.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.287 -176.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.2 26.81 73.72 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.409 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.606 ' HB ' HG21 ' A' ' 86' ' ' THR . 15.7 m -86.67 102.57 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 CA-C-O 121.573 0.702 . . . . 0.0 111.009 -177.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -123.88 77.0 1.49 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.605 0.717 . . . . 0.0 110.553 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.82 -163.36 1.61 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.218 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.889 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 25.4 m-85 -107.92 -58.31 0.05 OUTLIER Pre-proline 0 C--N 1.322 -0.609 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.166 176.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.889 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 15.3 Cg_endo -94.8 105.34 0.12 Allowed 'Trans proline' 0 N--CA 1.445 -1.372 0 C-N-CA 122.245 1.963 . . . . 0.0 110.784 169.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.606 HG21 ' HB ' ' A' ' 81' ' ' VAL . 23.8 m -117.73 122.79 44.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.003 0.43 . . . . 0.0 111.685 -174.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.1 mp -104.04 111.4 23.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.556 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.536 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 40.0 tp -109.84 123.33 49.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.8 -176.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -104.27 114.32 28.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.188 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.487 HG22 ' O ' ' A' ' 91' ' ' ASN . 56.0 mt -123.4 145.86 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.454 -176.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.553 ' HB2' ' HB2' ' A' ' 95' ' ' GLU . 84.6 m-20 -74.74 167.78 21.14 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 173.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.9 p -68.48 -36.54 79.1 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.698 -172.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 t -80.53 -8.52 59.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.075 0.464 . . . . 0.0 110.699 -178.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 101.17 70.14 0.88 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.525 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.553 ' HB2' ' HB2' ' A' ' 91' ' ' ASN . 49.0 mt-10 -138.2 144.26 40.59 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.515 -0.179 . . . . 0.0 110.515 178.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.9 t -77.99 113.92 17.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.671 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.529 HG11 HG13 ' A' ' 117' ' ' VAL . 31.0 t -92.08 -61.5 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.406 178.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -146.09 138.11 25.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.234 -175.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -110.94 113.62 26.32 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.564 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 48.9 tp -120.33 127.57 52.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.069 0.461 . . . . 0.0 111.227 -174.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 98.1 t -109.04 116.21 51.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.267 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.95 157.47 29.28 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.149 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -125.91 141.55 51.93 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' H ' HD13 ' A' ' 109' ' ' LEU . 36.8 mt-10 -123.48 -179.46 4.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.754 -174.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.97 155.82 15.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.61 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -49.04 -56.58 14.83 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -172.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.61 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 27.3 Cg_exo -62.23 -35.93 71.53 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.674 1.582 . . . . 0.0 112.191 -178.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 33.9 tt0 -74.08 -40.75 62.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.436 -178.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.455 ' O ' HG23 ' A' ' 113' ' ' VAL . 27.3 tp -65.51 -48.83 71.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.325 178.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 106' ' ' ALA . 96.5 mt -52.86 -40.37 63.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.667 177.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -66.21 -42.01 89.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.5 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 108' ' ' GLU . 33.4 mmtp -65.58 -38.11 88.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.218 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 109' ' ' LEU . 89.6 t -63.67 -52.4 57.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.628 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -63.4 -40.14 96.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 111.174 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 61.4 tp -66.9 -40.95 87.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.383 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -81.31 -44.64 7.9 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.497 -0.858 . . . . 0.0 113.316 -175.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.529 HG13 HG11 ' A' ' 97' ' ' VAL . 59.0 t -81.43 -48.36 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -173.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -81.92 87.09 6.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.261 0.553 . . . . 0.0 111.448 -175.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 13.8 p -117.31 167.91 10.81 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.362 174.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.12 142.24 44.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.951 0.405 . . . . 0.0 110.705 178.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.567 -1.129 . . . . 0.0 111.178 -179.065 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.01 0 CA-C-O 120.887 0.375 . . . . 0.0 110.719 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -92.77 119.62 32.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.978 0.418 . . . . 0.0 110.998 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.28 79.06 8.64 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 173.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -93.14 -174.97 3.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.31 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.75 -175.22 17.83 Favored Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -175.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.593 HG22 ' HB3' ' A' ' 47' ' ' PHE . 2.3 tp -96.78 142.29 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.635 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.91 88.72 3.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.286 0.565 . . . . 0.0 111.097 -176.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 62' ' ' ASN . 96.4 m-85 -65.39 145.42 56.18 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.916 174.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.459 ' O ' HD12 ' A' ' 63' ' ' LEU . 33.5 mmt180 -83.77 115.12 22.06 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 175.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' C ' HD12 ' A' ' 11' ' ' LEU . 24.1 mt-10 -94.18 91.53 6.82 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.555 0.693 . . . . 0.0 109.298 178.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.433 HD13 ' HB3' ' A' ' 9' ' ' ARG . 6.1 mp -140.04 168.48 19.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.059 -174.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.4 m -62.02 151.75 34.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.226 175.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.497 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 82.1 t80 -54.95 -52.74 68.33 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -176.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 11.5 Cg_endo -55.13 -37.88 93.85 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 122.252 1.968 . . . . 0.0 112.707 178.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.608 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 55.5 mm-40 -66.73 -47.38 72.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.341 179.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.422 ' HB2' HD13 ' A' ' 63' ' ' LEU . . . -58.99 -45.36 90.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.919 0.39 . . . . 0.0 111.057 -178.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.8 tp -63.41 -44.59 94.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.013 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HB2' ' HE3' ' A' ' 18' ' ' LYS . 38.1 ttmt -55.28 -47.4 75.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.529 177.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 11.9 mmt180 -63.24 -39.95 96.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.028 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.71 -46.6 78.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.808 0.337 . . . . 0.0 110.482 176.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -54.57 -45.4 73.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.438 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.0 t -85.91 -54.49 8.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -173.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -93.53 -29.35 15.56 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -167.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.463 ' HB3' HG23 ' A' ' 61' ' ' VAL . 6.8 t70 -125.74 -143.99 0.31 Allowed 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.0 -0.68 . . . . 0.0 111.437 -173.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HB3' ' HE3' ' A' ' 25' ' ' LYS . 5.8 ptpp? -129.24 -40.0 1.49 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -170.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.42 ' HG ' ' HG3' ' A' ' 25' ' ' LYS . 96.7 mt -142.33 166.16 25.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.794 0.331 . . . . 0.0 110.6 -176.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.565 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 55.6 tp -116.83 112.71 21.48 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.271 179.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -92.8 106.58 18.53 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.414 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.786 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 39.0 t -97.96 110.55 25.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.069 0.461 . . . . 0.0 111.134 -175.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -86.65 111.67 20.88 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.597 174.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 65' ' ' MET . 73.2 m -111.52 113.23 25.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.135 0.493 . . . . 0.0 109.992 178.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -124.25 156.51 36.74 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.438 0.637 . . . . 0.0 110.921 -175.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.409 ' C ' ' H ' ' A' ' 35' ' ' TRP . 22.4 m -101.95 159.47 15.33 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.549 171.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.7 t -65.65 2.82 0.87 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.181 0.515 . . . . 0.0 111.557 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.443 ' HD1' ' HD2' ' A' ' 38' ' ' PRO . 58.7 t-105 -59.5 125.51 23.92 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.235 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.6 p -83.2 27.72 0.56 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.268 -0.423 . . . . 0.0 112.005 -174.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.01 -113.06 3.66 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.644 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.522 ' HB2' ' HG3' ' A' ' 85' ' ' PRO . 72.7 Cg_exo -50.45 -38.61 53.9 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.673 2.915 . . . . 0.0 113.809 -177.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 70.1 m -59.7 -33.87 72.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.776 0.322 . . . . 0.0 111.475 -178.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -79.99 -43.71 21.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.899 0.381 . . . . 0.0 110.678 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -62.7 -37.41 86.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.639 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.474 HD13 ' HB1' ' A' ' 103' ' ' ALA . 60.4 tp -57.01 -44.08 82.45 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.965 178.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.0 m -70.98 -30.78 67.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.263 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -82.08 -28.41 32.36 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -175.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.1 t -95.0 -54.24 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.541 -0.463 . . . . 0.0 111.566 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.67 HG11 HD23 ' A' ' 109' ' ' LEU . 47.9 t -83.82 -58.69 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.881 -173.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.593 ' HB3' HG22 ' A' ' 6' ' ' ILE . 25.0 m-85 -78.57 -11.27 59.95 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -169.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -77.65 -23.82 49.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.078 0.466 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -73.25 128.61 35.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.039 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.1 m -57.62 -42.61 83.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.842 -176.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.1 mp -71.54 -42.33 68.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.732 0.301 . . . . 0.0 110.922 -177.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.411 HG13 HD11 ' A' ' 110' ' ' LEU . 75.5 t -69.76 -45.35 77.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.388 -178.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.79 -46.02 88.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.969 0.414 . . . . 0.0 110.578 177.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.37 -40.49 96.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.401 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -59.61 -48.74 80.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.662 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -66.24 -42.9 87.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.221 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.586 ' HB2' HD11 ' A' ' 6' ' ' ILE . 25.8 t-20 -61.48 -39.76 92.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.81 -177.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.798 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 1.3 mmp_? -89.04 -23.76 22.49 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -176.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -87.88 -23.2 24.02 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.166 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.408 ' HD2' ' HB2' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -150.9 167.22 28.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.463 HG23 ' HB3' ' A' ' 24' ' ' ASP . 78.3 t -85.66 120.55 35.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 171.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.533 ' N ' HD22 ' A' ' 62' ' ' ASN . 0.8 OUTLIER -84.84 119.77 25.7 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.83 -176.034 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 9' ' ' ARG . 46.1 tp -114.68 138.08 51.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.143 179.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.463 ' HB2' ' CB ' ' A' ' 8' ' ' PHE . 37.0 ttmt -105.75 127.98 53.42 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 177.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.474 ' HG2' HD22 ' A' ' 75' ' ' LEU . 55.3 tpp -137.95 136.82 37.36 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.836 -178.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.447 ' O ' ' HA3' ' A' ' 72' ' ' GLY . 18.6 t70 -87.12 156.26 19.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 176.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 13.1 mmt -78.34 -15.54 58.62 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.746 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -119.14 -55.95 2.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.539 -177.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HD2' ' HA ' ' A' ' 69' ' ' LYS . 44.1 tptt -88.82 162.58 16.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.709 -175.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 71' ' ' GLU . . . 73.42 29.0 64.66 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.342 178.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 0.8 OUTLIER 68.62 20.09 8.4 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.837 0.351 . . . . 0.0 110.618 -177.756 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.447 ' HA3' ' O ' ' A' ' 66' ' ' ASP . . . -55.24 -32.41 57.23 Favored Glycine 0 C--N 1.333 0.404 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.879 178.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.4 p -59.32 -29.83 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-O 120.658 0.266 . . . . 0.0 111.293 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.42 -42.72 78.52 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.474 HD22 ' HG2' ' A' ' 65' ' ' MET . 6.7 mp -72.11 -40.34 68.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.244 178.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -56.03 -45.62 79.09 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.508 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -71.04 -34.48 71.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.333 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -67.33 -41.82 84.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.883 -172.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -105.12 8.39 34.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.302 -173.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 59.8 35.2 85.72 Favored Glycine 0 C--N 1.332 0.316 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.93 175.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.438 HG21 ' OG1' ' A' ' 86' ' ' THR . 7.4 p -94.96 129.86 44.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.139 0.495 . . . . 0.0 111.002 -176.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -113.22 -3.23 13.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.877 176.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.21 173.05 12.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.373 -175.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.718 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 81.7 m-85 -92.33 -50.21 0.29 Allowed Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.828 -177.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.718 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 88.9 Cg_endo -94.81 133.15 0.63 Allowed 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 122.132 1.888 . . . . 0.0 111.923 173.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.438 ' OG1' HG21 ' A' ' 81' ' ' VAL . 40.1 m -150.94 129.4 12.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.091 0.472 . . . . 0.0 111.622 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.469 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 7.2 mp -104.72 116.14 31.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.018 178.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.786 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 92.0 mt -106.19 133.95 50.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.705 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.42 ' CZ ' HG22 ' A' ' 113' ' ' VAL . 41.5 m-85 -113.31 106.33 14.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.207 -179.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.565 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 36.9 mm -107.49 136.81 41.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.194 -176.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.406 ' O ' HG22 ' A' ' 90' ' ' ILE . 35.1 p30 -90.66 176.68 6.58 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 174.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.0 m -62.91 -18.37 62.96 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.821 0.343 . . . . 0.0 111.491 -177.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.9 t -77.89 -15.63 58.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.046 0.451 . . . . 0.0 110.473 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 89.88 20.2 44.29 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.693 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -120.29 163.68 17.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.661 0.267 . . . . 0.0 110.407 -177.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.2 m -93.53 142.16 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.092 0.472 . . . . 0.0 111.799 -176.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 31.3 m -105.68 -24.25 4.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.329 173.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -161.68 147.62 13.78 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.693 -177.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -123.56 126.08 46.02 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 176.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.469 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 50.4 tp -114.55 109.17 17.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.022 0.439 . . . . 0.0 110.78 -179.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 61.2 t -95.94 113.66 30.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.307 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.22 -155.87 16.01 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 -177.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.474 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -150.61 149.18 29.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.066 0.46 . . . . 0.0 111.497 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.416 ' H ' HD13 ' A' ' 109' ' ' LEU . 76.9 mm-40 -115.18 179.35 3.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.113 175.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -80.21 174.94 11.1 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 174.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.571 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -53.79 -54.98 40.43 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -172.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.571 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 24.2 Cg_exo -63.22 -44.32 15.55 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 121.781 1.654 . . . . 0.0 112.826 -177.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -74.62 -27.29 60.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.989 -176.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.67 HD23 HG11 ' A' ' 46' ' ' VAL . 17.8 tp -64.83 -47.01 79.54 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 178.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 10.5 mp -56.61 -38.0 71.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.435 175.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -63.04 -45.9 90.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.375 178.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -58.47 -46.44 86.61 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.951 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 109' ' ' LEU . 43.5 t -67.57 -43.81 86.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.823 -179.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 110' ' ' LEU . 39.1 tttm -64.19 -46.12 85.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.096 -175.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 87.5 mt -76.51 -18.87 58.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.909 0.385 . . . . 0.0 110.704 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -75.91 -31.05 56.66 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.253 178.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 33.5 m -99.19 0.21 10.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.024 0.44 . . . . 0.0 110.9 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -103.94 143.61 32.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.122 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.9 m -86.43 80.74 8.57 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.491 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -63.89 134.9 56.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.792 178.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.811 0 CA-C-O 118.749 -1.028 . . . . 0.0 111.376 -179.008 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -96.91 82.25 3.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.111 0.481 . . . . 0.0 110.258 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -115.24 5.48 14.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.238 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -63.63 124.09 20.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.855 177.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.662 ' HA2' ' O ' ' A' ' 47' ' ' PHE . . . 131.88 150.49 6.61 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -174.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.967 HG13 ' HA ' ' A' ' 47' ' ' PHE . 52.3 mt -68.49 125.81 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 117.22 0.51 . . . . 0.0 110.361 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.49 83.4 6.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.886 0.374 . . . . 0.0 111.093 -178.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.635 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 17.2 m-85 -71.36 121.34 18.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.911 174.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.494 ' O ' HD12 ' A' ' 63' ' ' LEU . 28.7 mtt180 -94.48 124.15 38.34 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.837 -174.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -100.63 95.3 6.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.516 0.674 . . . . 0.0 111.285 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -110.69 169.03 9.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.63 177.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.414 ' HA ' ' OE2' ' A' ' 71' ' ' GLU . 19.7 m -67.36 146.89 53.62 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 175.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.452 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 81.1 t80 -57.05 -55.03 48.29 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -174.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 17.7 Cg_endo -57.85 -40.38 79.04 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.891 1.727 . . . . 0.0 112.034 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -63.21 -49.6 73.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.41 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.14 -37.65 88.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.892 -177.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.9 tp -65.16 -42.91 93.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.487 0.661 . . . . 0.0 109.962 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -57.87 -50.33 73.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.002 175.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -58.95 -46.08 88.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.503 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.65 -39.51 68.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 111.386 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.455 ' HA ' ' OG ' ' A' ' 92' ' ' SER . 37.3 tt0 -70.08 -45.47 66.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.914 -178.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.2 m -75.66 -28.07 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.942 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -77.83 -18.73 55.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.9 t70 59.26 50.79 7.46 Favored 'General case' 0 N--CA 1.46 0.056 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.644 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HB3' ' HA ' ' A' ' 60' ' ' PHE . 43.7 mmtm -137.13 153.6 50.47 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.801 -178.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.738 ' HB2' ' HB3' ' A' ' 60' ' ' PHE . 88.8 mt -64.01 141.71 58.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.134 175.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.595 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 61.0 tp -92.33 101.2 13.68 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.414 ' CZ ' HD22 ' A' ' 87' ' ' LEU . 88.4 t80 -92.51 107.29 19.1 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.007 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.584 HG22 HD23 ' A' ' 63' ' ' LEU . 38.4 t -102.68 124.21 56.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.021 -176.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -99.92 117.84 35.08 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.264 175.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 75.9 m -122.52 111.76 17.21 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 173.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -112.53 154.36 26.06 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.106 0.479 . . . . 0.0 111.368 -174.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.454 HG21 ' HA ' ' A' ' 83' ' ' ALA . 35.7 m -100.27 149.05 23.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.107 175.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.8 p -70.93 16.42 0.09 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.425 ' H ' ' C ' ' A' ' 33' ' ' THR . 8.0 t90 -67.21 -23.32 65.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.278 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.9 m 59.78 29.71 19.27 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.327 175.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.47 -108.24 1.54 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.213 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.94 -31.38 81.51 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.758 2.305 . . . . 0.0 112.494 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 76.5 m -55.72 -48.02 75.89 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.811 0.339 . . . . 0.0 111.536 -178.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -75.36 -37.0 60.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.819 0.342 . . . . 0.0 110.821 -174.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 41' ' ' ARG . 19.4 mtm180 -71.07 -33.23 70.04 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.579 178.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.792 HD11 HD22 ' A' ' 109' ' ' LEU . 43.8 tp -63.0 -45.34 92.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.071 0.462 . . . . 0.0 109.807 174.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.729 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 33.8 m -61.04 -30.7 70.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.9 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -78.73 -22.19 46.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.371 -177.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.466 HG12 ' HB2' ' A' ' 106' ' ' ALA . 65.7 t -108.29 -53.92 6.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -174.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 42' ' ' LEU . 8.7 p -79.76 -31.13 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.489 -171.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.967 ' HA ' HG13 ' A' ' 6' ' ' ILE . 10.0 m-85 -68.75 -29.01 67.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.267 0.556 . . . . 0.0 110.21 178.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -70.18 -25.78 63.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.792 -174.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -89.62 107.92 19.37 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.471 -177.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.0 m -69.43 -31.0 69.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.321 -177.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.73 -44.7 85.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 0.0 110.33 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.4 t -68.65 -38.49 79.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.561 177.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.468 ' HB2' HG12 ' A' ' 6' ' ' ILE . . . -57.56 -50.73 72.14 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 177.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -34.73 78.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.239 179.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -59.75 -48.4 81.81 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.346 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -61.14 -55.44 32.34 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.648 177.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -61.07 -30.57 70.42 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -174.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -68.54 -46.76 68.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.747 0.308 . . . . 0.0 110.951 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -81.98 -31.46 31.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.009 -173.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.738 ' HB3' ' HB2' ' A' ' 26' ' ' LEU . 9.0 p90 -155.4 157.96 37.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.212 0.53 . . . . 0.0 111.787 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.8 m -80.72 133.69 28.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.858 -177.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.449 ' N ' HD22 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -92.75 106.86 18.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.615 -178.866 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.584 HD23 HG22 ' A' ' 29' ' ' VAL . 45.1 tp -110.19 128.53 55.53 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.113 -178.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.635 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 26.4 ttpp -113.02 126.92 56.01 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.229 177.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 79.1 mtp -136.77 113.75 10.51 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -66.94 155.67 37.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.309 -174.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 61.3 mtt -78.77 -10.15 59.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.293 175.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -113.21 21.6 15.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.769 0.795 . . . . 0.0 109.49 175.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -93.05 158.94 15.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.649 -1.159 . . . . 0.0 108.699 174.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.31 -56.44 23.38 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.308 -0.473 . . . . 0.0 113.195 -176.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' OE2' ' HA ' ' A' ' 12' ' ' SER . 26.9 mt-10 -75.97 -12.42 60.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.032 0.444 . . . . 0.0 110.737 179.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.16 -31.14 75.77 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.618 -178.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 35.6 m -55.54 -38.53 49.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -177.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -73.31 -45.13 57.2 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.322 -178.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 46.4 mt -62.73 -41.5 99.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.172 0.511 . . . . 0.0 110.499 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.653 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 51.9 ttp180 -57.09 -47.15 81.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.249 179.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.455 ' HE2' ' HB3' ' A' ' 77' ' ' LYS . 31.3 ttpt -74.23 -35.15 63.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.78 -178.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -80.79 -48.24 12.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.345 -170.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -92.2 -9.45 42.26 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -171.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.3 84.26 1.79 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.296 -0.954 . . . . 0.0 113.318 174.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.653 ' HB ' ' HG3' ' A' ' 76' ' ' ARG . 7.5 p -64.85 141.08 18.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.203 0.525 . . . . 0.0 110.655 174.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -137.22 -91.7 0.24 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.853 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.454 ' HA ' HG21 ' A' ' 33' ' ' THR . . . -174.73 22.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.701 0.762 . . . . 0.0 109.873 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.592 ' HB3' ' HD2' ' A' ' 85' ' ' PRO . 9.8 m-85 -128.94 -179.45 1.0 Allowed Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.125 -170.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.592 ' HD2' ' HB3' ' A' ' 84' ' ' TYR . 58.4 Cg_endo -79.33 116.06 3.55 Favored 'Trans proline' 0 N--CA 1.449 -1.136 0 C-N-CA 121.612 1.541 . . . . 0.0 110.835 165.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.4 m -95.33 105.55 17.51 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.87 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.621 HD12 HD23 ' A' ' 100' ' ' LEU . 43.6 mt -94.12 115.65 27.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.434 0.635 . . . . 0.0 109.91 -177.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.566 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 60.7 mt -111.58 123.71 50.78 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.386 -172.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -102.14 110.97 23.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.745 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.595 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 65.3 mt -113.98 138.71 42.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.782 -179.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -76.39 167.65 21.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.017 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.455 ' OG ' ' HA ' ' A' ' 21' ' ' GLU . 48.0 t -65.47 -26.75 68.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.72 175.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.2 m -77.96 1.79 19.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.322 179.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.96 26.55 62.07 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.423 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -113.14 144.62 42.35 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 -178.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.6 m -78.04 128.71 38.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.86 0.362 . . . . 0.0 110.232 176.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.4 p -106.75 -43.15 6.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -142.14 131.53 23.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.11 0.481 . . . . 0.0 110.465 177.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -108.21 119.93 40.89 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.464 175.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.621 HD23 HD12 ' A' ' 87' ' ' LEU . 50.3 tp -116.04 106.5 13.83 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.172 0.51 . . . . 0.0 110.642 -179.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.9 m -103.38 101.68 12.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.327 0.584 . . . . 0.0 109.976 174.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.89 164.41 10.11 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.121 -177.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.5 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -160.27 118.97 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.884 0.373 . . . . 0.0 110.91 -178.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -100.33 -175.16 2.85 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.45 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.407 ' OD2' ' HD2' ' A' ' 107' ' ' PRO . 27.5 t70 -54.8 151.98 7.78 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.59 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -44.42 -54.72 11.5 Favored Pre-proline 0 N--CA 1.476 0.827 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -169.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.59 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 40.1 Cg_exo -58.97 -36.54 96.64 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.978 1.786 . . . . 0.0 112.711 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -74.12 -38.52 63.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.801 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.792 HD22 HD11 ' A' ' 42' ' ' LEU . 50.7 tp -62.46 -53.86 48.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.032 0.444 . . . . 0.0 110.29 176.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 62.2 tp -54.62 -36.29 64.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.828 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -67.15 -41.55 85.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.495 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -65.6 -34.25 77.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.788 177.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 109' ' ' LEU . 98.9 t -59.89 -42.47 89.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.24 175.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -61.55 -41.42 97.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.03 -17.14 63.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.051 177.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -91.31 -43.36 4.65 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.652 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.443 ' O ' ' HB2' ' A' ' 118' ' ' GLU . 64.8 t -67.74 -33.83 64.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-O 120.295 0.093 . . . . 0.0 111.16 -178.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 117' ' ' VAL . 28.4 mm-40 70.17 108.99 0.06 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.394 0.616 . . . . 0.0 111.18 -179.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.0 m -152.49 134.47 14.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.17 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.38 108.66 17.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.319 0.581 . . . . 0.0 110.6 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.881 0 CA-C-O 118.94 -0.922 . . . . 0.0 111.346 -179.331 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.747 0.308 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -116.63 -60.59 1.83 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 48' ' ' LYS . . . 69.46 90.65 0.09 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.115 174.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -91.06 -22.24 20.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.178 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 101.14 -163.56 18.16 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.711 175.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.562 HG12 ' HA ' ' A' ' 53' ' ' ALA . 40.6 mt -75.07 141.74 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.12 106.82 14.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.796 0.332 . . . . 0.0 110.776 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.761 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 83.8 m-85 -91.95 133.21 35.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.24 177.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 62' ' ' ASN . 13.8 ptp180 -101.32 137.55 39.51 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.925 0.393 . . . . 0.0 110.217 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -94.12 94.47 8.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.821 -174.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.464 ' O ' HD11 ' A' ' 63' ' ' LEU . 95.0 mt -127.93 161.74 28.39 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.282 -178.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.9 m -70.29 160.72 31.7 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 175.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.424 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 74.1 t80 -58.63 -56.13 38.86 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.596 -177.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 18.9 Cg_endo -59.94 -34.26 95.26 Favored 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 121.974 1.783 . . . . 0.0 111.943 178.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -63.05 -48.73 77.43 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.385 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.33 -42.37 88.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.484 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.3 tp -57.6 -52.62 64.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.613 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -56.3 -48.26 77.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.784 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -59.49 -40.82 88.27 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.761 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.537 ' HB1' ' O ' ' A' ' 25' ' ' LYS . . . -69.43 -30.74 68.73 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.877 -178.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.89 -47.27 78.42 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.05 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.5 m -73.53 -26.19 21.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.576 -177.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -84.3 -15.14 47.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.574 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.5 t70 55.94 70.04 0.68 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.679 0.752 . . . . 0.0 110.139 -173.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.537 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 36.5 ttmt -155.77 153.39 29.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.701 -175.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.2 mp -88.02 159.0 18.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.914 0.387 . . . . 0.0 111.195 -176.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.602 ' HB2' ' HB ' ' A' ' 90' ' ' ILE . 3.3 mm? -94.19 122.77 37.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.173 -178.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -109.52 102.11 11.0 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 172.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.467 ' HB ' ' HB3' ' A' ' 88' ' ' LEU . 39.7 t -100.94 120.52 50.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.631 -176.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -105.18 128.56 53.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.996 0.427 . . . . 0.0 110.227 175.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.549 ' HB2' ' HB ' ' A' ' 86' ' ' THR . 71.1 m -124.03 111.53 16.1 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.254 175.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -107.74 157.93 17.71 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 m -99.79 163.54 12.42 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.267 -178.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.8 p -73.48 -22.32 60.19 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -174.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -65.96 160.71 22.94 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.312 178.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.9 p -91.3 173.43 7.92 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.025 -177.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.404 ' HA3' ' HD3' ' A' ' 38' ' ' PRO . . . 118.06 -109.52 1.82 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.363 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.404 ' HD3' ' HA3' ' A' ' 37' ' ' GLY . 52.3 Cg_exo -54.87 -29.1 61.83 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.387 2.725 . . . . 0.0 113.266 -178.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.4 m -61.16 -58.23 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.055 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -63.86 -31.15 72.23 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.992 0.425 . . . . 0.0 110.791 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.401 ' HD2' ' HA ' ' A' ' 41' ' ' ARG . 3.2 tpt180 -56.79 -42.32 79.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.58 178.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.472 HD21 ' HB1' ' A' ' 103' ' ' ALA . 94.1 mt -75.89 -43.58 44.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.506 176.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.644 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 50.5 m -51.98 -30.67 26.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.962 -178.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -88.99 -46.29 8.99 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.585 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 83.9 t -81.35 -54.18 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -170.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 42' ' ' LEU . 33.4 m -83.1 -21.61 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.276 -0.57 . . . . 0.0 111.536 -174.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.644 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 83.1 m-85 -91.68 32.4 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.178 0.513 . . . . 0.0 111.052 177.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.444 ' O ' ' HB1' ' A' ' 3' ' ' ALA . 43.0 tttm -129.83 -59.28 1.07 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.635 173.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -53.19 117.61 3.16 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.844 0.715 . . . . 0.0 111.694 -172.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.3 p -69.19 -29.57 67.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.668 -174.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.8 mt -71.0 -48.34 53.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.34 . . . . 0.0 110.466 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.47 -46.9 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.221 175.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.562 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -60.37 -39.49 87.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.37 179.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.96 -45.61 88.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.736 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -61.06 -47.13 87.8 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.152 -176.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -70.43 -48.58 55.29 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -60.11 -30.81 69.51 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.767 0.317 . . . . 0.0 111.38 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.7 ttm-85 -88.21 -53.5 4.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.266 -0.425 . . . . 0.0 112.132 -176.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -84.69 -19.62 32.52 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -169.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -129.6 161.86 29.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.079 0.466 . . . . 0.0 111.498 -175.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.8 t -95.92 110.11 23.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 170.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.514 ' HB3' ' CD1' ' A' ' 8' ' ' PHE . 34.7 m-80 -82.78 104.0 12.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.885 -173.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.464 HD11 ' O ' ' A' ' 11' ' ' LEU . 54.4 tp -100.19 126.82 46.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.523 -178.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.761 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 64.0 tttm -99.28 122.24 42.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.454 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.6 mmt -132.04 123.54 27.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.968 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.593 ' HB2' ' HB3' ' A' ' 69' ' ' LYS . 4.0 m-20 -92.32 149.27 21.53 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.532 175.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 24.7 mmt -67.36 -20.41 65.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.057 0.456 . . . . 0.0 111.201 -175.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -115.85 14.73 16.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.615 -176.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.593 ' HB3' ' HB2' ' A' ' 66' ' ' ASP . 81.0 tttt -129.28 129.06 44.43 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 120.799 0.333 . . . . 0.0 110.628 -175.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.44 -131.39 38.16 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.374 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.459 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 1.8 mp0 -90.63 8.86 32.11 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.013 -0.094 . . . . 0.0 111.092 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.466 ' HA3' ' O ' ' A' ' 66' ' ' ASP . . . -55.16 -40.6 75.45 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 121.416 -0.421 . . . . 0.0 112.759 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.47 -36.71 77.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.772 0.32 . . . . 0.0 110.997 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -71.31 -37.73 71.78 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 71' ' ' GLU . 92.6 mt -61.8 -39.54 92.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.886 0.374 . . . . 0.0 110.24 177.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -57.88 -44.97 87.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.547 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -76.59 -29.49 56.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.939 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -68.62 -49.71 57.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.075 -177.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.449 ' CZ ' HD21 ' A' ' 88' ' ' LEU . 85.3 m-85 -96.72 -4.19 41.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.313 -174.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 60.27 41.2 98.24 Favored Glycine 0 C--N 1.332 0.306 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.6 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.496 HG11 HG21 ' A' ' 86' ' ' THR . 26.9 m -78.48 139.33 18.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.803 0.335 . . . . 0.0 110.81 -177.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -127.82 9.05 6.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.679 -176.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.465 ' HB3' ' HB ' ' A' ' 101' ' ' VAL . . . -101.56 179.75 4.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.473 0.177 . . . . 0.0 110.697 -177.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.775 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 68.2 m-85 -90.76 -51.48 0.32 Allowed Pre-proline 0 C--O 1.237 0.402 0 CA-C-O 119.52 -0.276 . . . . 0.0 111.071 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.775 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 11.4 Cg_endo -93.24 137.55 1.38 Allowed 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 122.569 2.179 . . . . 0.0 110.978 170.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.549 ' HB ' ' HB2' ' A' ' 31' ' ' CYS . 2.2 m -133.75 114.5 13.47 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.459 -176.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.7 mp -103.97 111.71 24.38 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.467 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 16.4 tp -116.81 135.49 53.7 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.044 -173.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.403 ' HZ ' ' HB ' ' A' ' 113' ' ' VAL . 63.6 m-85 -109.06 109.36 20.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.386 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.602 ' HB ' ' HB2' ' A' ' 27' ' ' LEU . 48.6 mm -104.89 130.54 55.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.102 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.41 HD21 ' HG3' ' A' ' 95' ' ' GLU . 8.5 p30 -100.42 -178.42 3.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.983 -178.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.3 m -65.14 -19.65 66.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.095 -175.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.2 m -78.18 0.53 24.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.97 0.414 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 73.45 30.87 61.7 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.274 177.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.41 ' HG3' HD21 ' A' ' 91' ' ' ASN . 10.7 pt-20 -143.22 -179.29 6.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.537 0.208 . . . . 0.0 110.681 -178.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 10.2 p -108.93 151.75 11.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.252 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 45.1 t -107.22 -48.25 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 174.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -126.69 125.61 42.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.476 178.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -91.53 126.86 36.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.832 175.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.9 tt -126.47 112.11 15.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.193 0.521 . . . . 0.0 110.283 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.465 ' HB ' ' HB3' ' A' ' 83' ' ' ALA . 30.7 m -109.64 140.42 28.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.161 176.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.55 171.05 27.97 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.86 -178.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.472 ' HB1' HD21 ' A' ' 42' ' ' LEU . . . -145.35 161.15 40.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.834 0.317 . . . . 0.0 111.07 -178.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.68 ' HG3' ' HD3' ' A' ' 112' ' ' LYS . 29.1 mm-40 -129.64 -174.01 3.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.866 -175.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.441 ' OD1' ' HD2' ' A' ' 107' ' ' PRO . 5.8 t70 -65.26 162.9 16.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 170.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.83 -57.01 17.75 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -171.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.441 ' HD2' ' OD1' ' A' ' 105' ' ' ASP . 28.6 Cg_endo -62.98 -39.53 39.88 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.995 1.796 . . . . 0.0 112.799 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -70.42 -38.48 74.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.342 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.401 HD13 ' H ' ' A' ' 104' ' ' GLU . 41.0 tp -58.74 -49.19 78.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.232 0.539 . . . . 0.0 109.767 178.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 40.9 tp -58.86 -35.38 72.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.93 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -65.06 -52.28 56.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.337 177.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.68 ' HD3' ' HG3' ' A' ' 104' ' ' GLU . 49.1 mtpt -63.81 -38.0 89.47 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -172.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.403 ' HB ' ' HZ ' ' A' ' 89' ' ' PHE . 27.2 m -69.47 -44.63 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.301 0 CA-C-O 120.407 0.146 . . . . 0.0 111.235 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -67.42 -35.22 78.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.071 0.462 . . . . 0.0 111.25 178.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 50.5 tp -66.78 -39.16 87.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.41 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -66.36 -36.04 91.06 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.889 -178.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 34.3 m -92.92 -0.74 10.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -176.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 57.35 87.02 0.07 Allowed 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.455 0.472 . . . . 0.0 111.381 -178.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.1 m -80.92 -63.77 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.92 -178.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -158.89 -45.97 0.06 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.77 0.319 . . . . 0.0 110.911 -177.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.392 -1.227 . . . . 0.0 111.486 -179.155 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.975 0 CA-C-O 120.736 0.303 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -94.41 139.66 30.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.752 0.31 . . . . 0.0 110.418 177.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -138.41 86.93 2.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.874 178.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -105.78 100.67 10.22 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -174.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 93.23 -145.65 17.72 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.987 176.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.537 HG12 ' HA ' ' A' ' 53' ' ' ALA . 62.8 mt -91.12 135.74 26.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.74 0.305 . . . . 0.0 110.516 -177.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.65 108.46 20.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.025 0.44 . . . . 0.0 111.148 -178.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -93.15 152.84 19.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.098 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -117.76 152.61 34.95 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.178 177.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -98.61 94.68 6.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.662 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.498 ' O ' HD11 ' A' ' 63' ' ' LEU . 92.8 mt -139.94 164.41 30.09 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 p -89.47 174.44 7.79 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 172.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.508 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 69.7 t80 -59.75 -52.52 73.24 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.249 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 15.7 Cg_endo -57.5 -35.69 98.81 Favored 'Trans proline' 0 C--N 1.359 1.119 0 C-N-CA 122.377 2.051 . . . . 0.0 112.417 176.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.19 -42.5 88.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.96 0.409 . . . . 0.0 111.089 178.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.455 ' HB2' HD22 ' A' ' 63' ' ' LEU . . . -70.92 -35.25 72.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.612 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.5 tp -67.26 -36.56 81.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.377 0.608 . . . . 0.0 109.878 177.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.611 ' HE2' ' HA ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -55.95 -52.31 64.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.743 172.436 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -58.59 -36.38 73.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.861 176.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.448 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -60.37 -35.74 76.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.653 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -69.18 -37.27 78.09 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.483 177.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.2 t -73.72 -56.5 9.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.519 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -77.34 -30.25 53.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.59 -175.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.9 t70 60.38 37.6 19.96 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 122.339 1.066 . . . . 0.0 109.038 -175.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . 35.8 ttmt -112.37 151.8 29.36 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.429 -1.259 . . . . 0.0 109.322 -176.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 98.5 mt -66.88 145.71 55.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.899 0.381 . . . . 0.0 110.879 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.469 ' HB2' HG22 ' A' ' 90' ' ' ILE . 3.1 mm? -96.4 130.44 43.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.818 -176.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -113.4 103.05 10.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.277 175.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.637 ' HB ' ' HB3' ' A' ' 88' ' ' LEU . 37.3 t -103.11 111.94 34.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.051 0.453 . . . . 0.0 110.858 -177.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -84.08 116.5 22.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.012 176.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 82.2 m -114.06 113.3 24.56 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 177.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -111.37 149.3 31.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.33 -173.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.403 ' C ' ' H ' ' A' ' 35' ' ' TRP . 30.4 m -100.88 152.54 20.41 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 169.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.8 p -73.07 15.0 0.23 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.482 ' HD1' ' HD2' ' A' ' 38' ' ' PRO . 62.4 t-105 -75.92 129.56 37.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.455 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 54.1 t -89.92 115.63 27.38 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.228 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 160.55 -98.11 0.16 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.357 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.482 ' HD2' ' HD1' ' A' ' 35' ' ' TRP . 78.3 Cg_exo -50.7 -30.49 29.16 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.735 2.957 . . . . 0.0 113.277 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.1 p -57.95 -41.28 82.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.359 . . . . 0.0 111.232 178.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -72.42 -37.96 68.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.119 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -59.78 -40.31 87.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.339 178.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.633 HD13 ' HB1' ' A' ' 103' ' ' ALA . 43.5 tp -70.41 -55.75 8.3 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.533 177.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.558 ' HA ' ' CD2' ' A' ' 47' ' ' PHE . 13.9 t -59.25 -30.99 68.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.865 -173.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -65.01 -33.98 77.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -176.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.598 HG23 HG13 ' A' ' 46' ' ' VAL . 4.8 m -108.75 -52.75 6.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -175.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.645 HG12 ' HA ' ' A' ' 106' ' ' ALA . 15.7 m -74.61 -26.2 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -169.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.558 ' CD2' ' HA ' ' A' ' 43' ' ' SER . 22.6 m-85 -101.66 18.06 21.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.091 0.472 . . . . 0.0 109.975 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -123.49 -34.63 3.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.279 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.42 ' OD2' ' HB2' ' A' ' 51' ' ' LEU . 32.1 t70 -72.99 121.65 20.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.038 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.8 m -69.74 -25.69 63.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.994 -175.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.42 ' HB2' ' OD2' ' A' ' 49' ' ' ASP . 79.8 mt -70.3 -51.13 32.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.964 0.412 . . . . 0.0 110.412 -178.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 84.2 t -63.02 -42.18 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.119 176.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.537 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -58.31 -51.43 69.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.625 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -57.61 -42.44 83.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.159 -178.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -59.46 -48.68 80.7 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.225 -178.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 60' ' ' PHE . 50.6 m-85 -74.6 -41.67 60.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.824 -177.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -57.95 -30.79 66.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.884 0.373 . . . . 0.0 111.34 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.0 ttm105 -88.52 -51.95 5.43 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -89.53 -11.08 43.85 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -168.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.414 ' HD2' ' HA ' ' A' ' 56' ' ' PHE . 98.3 m-85 -130.81 146.69 52.32 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.402 -176.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.2 t -87.41 109.79 19.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 169.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -84.07 110.16 18.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.372 0.606 . . . . 0.0 111.259 -172.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.498 HD11 ' O ' ' A' ' 11' ' ' LEU . 58.5 tp -118.56 143.09 47.01 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.855 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -117.21 132.45 56.63 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.343 175.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.9 tpt -129.97 135.82 48.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.819 0.342 . . . . 0.0 111.287 -175.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -69.18 159.85 32.21 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.947 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 43.3 tpp -98.69 -18.47 18.02 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.229 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -114.73 -51.12 2.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.451 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -73.84 131.53 41.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.969 -175.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.31 -147.99 21.88 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.592 -178.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -89.39 18.6 5.1 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 122.572 -0.369 . . . . 0.0 110.926 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -57.64 -36.96 80.96 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 121.149 -0.548 . . . . 0.0 112.28 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 32.3 m -65.15 -25.57 37.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.011 0.434 . . . . 0.0 111.147 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -75.29 -48.36 23.61 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.92 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.4 mp -60.1 -39.1 84.98 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.729 176.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.84 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 55.8 ttp180 -58.77 -43.43 90.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.02 0.438 . . . . 0.0 110.773 178.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.1 ttmp? -74.64 -30.21 61.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.13 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -74.84 -44.5 48.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.558 -175.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -95.68 -0.19 51.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.374 -175.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.7 58.67 8.06 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.343 178.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.84 ' HB ' ' HG3' ' A' ' 76' ' ' ARG . 84.7 t -92.64 113.43 27.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.036 0.446 . . . . 0.0 111.217 -176.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -120.17 -22.13 6.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.673 174.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.89 177.25 8.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.562 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.706 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 22.8 m-85 -92.49 -53.18 0.27 Allowed Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -172.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.706 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 32.8 Cg_endo -93.69 105.6 0.15 Allowed 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 122.179 1.919 . . . . 0.0 111.823 176.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.8 m -118.79 121.7 40.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.95 0.405 . . . . 0.0 110.874 -177.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 87' ' ' LEU . 6.5 mp -103.84 119.9 39.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.908 -177.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.637 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 1.3 tt -105.52 121.93 44.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.353 -177.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -111.39 118.82 36.88 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 175.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.469 HG22 ' HB2' ' A' ' 27' ' ' LEU . 13.5 tt -135.83 154.33 34.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.449 -178.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -105.34 177.89 4.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.772 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.4 t -62.25 -28.72 69.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.437 -178.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.0 t -68.98 -22.51 64.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.058 0.456 . . . . 0.0 110.527 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 87.35 23.39 40.48 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.627 -0.797 . . . . 0.0 111.786 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -109.71 149.22 30.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.921 0.391 . . . . 0.0 110.124 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.542 HG11 ' HG3' ' A' ' 99' ' ' ARG . 21.5 t -96.4 107.7 20.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.573 -177.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.4 t -71.62 -50.17 41.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 177.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -151.9 136.42 16.91 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.283 0.563 . . . . 0.0 110.952 178.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.542 ' HG3' HG11 ' A' ' 96' ' ' VAL . 13.5 mtm180 -96.98 155.07 16.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.701 174.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 42.8 tp -135.46 107.23 7.01 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.02 0.438 . . . . 0.0 110.445 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.0 m -105.49 101.64 12.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.705 0.764 . . . . 0.0 110.705 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 117.85 151.49 9.24 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.233 -176.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.633 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -140.67 129.04 22.5 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 122.556 -0.379 . . . . 0.0 110.908 -174.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -102.47 -175.12 2.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.38 -176.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.05 164.96 3.61 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.978 178.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.645 ' HA ' HG12 ' A' ' 46' ' ' VAL . . . -48.22 -56.45 14.04 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -173.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -61.9 -42.32 31.71 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.863 1.709 . . . . 0.0 112.551 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -65.49 -43.07 91.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 -178.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.4 tp -64.86 -47.1 79.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.362 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 48.0 tp -53.98 -49.85 67.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.054 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -70.56 -35.75 73.25 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.046 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 112' ' ' LYS . 51.4 tptt -57.57 -42.78 83.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.026 0.441 . . . . 0.0 110.833 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 117' ' ' VAL . 87.9 t -69.67 -47.31 71.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -63.59 -45.37 90.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.273 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 34.5 tp -71.48 -22.6 61.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.17 0.51 . . . . 0.0 110.498 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -74.6 -19.2 79.95 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.097 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 113' ' ' VAL . 23.1 t -97.8 -51.04 10.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.933 0.397 . . . . 0.0 110.559 178.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -90.26 108.69 19.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -177.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.3 t -74.71 -31.29 61.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.845 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -109.37 146.06 35.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.892 0.377 . . . . 0.0 111.054 -175.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.252 0 CA-C-O 117.92 -1.489 . . . . 0.0 111.311 -178.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 120.617 0.246 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -112.0 150.3 30.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.781 0.324 . . . . 0.0 110.646 -179.121 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.79 124.16 33.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.654 176.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -165.07 -45.69 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.168 0.508 . . . . 0.0 110.447 -178.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.435 ' HA3' ' HA ' ' A' ' 47' ' ' PHE . . . -88.8 -133.8 4.76 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.003 176.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.534 ' CD1' ' HA ' ' A' ' 53' ' ' ALA . 28.2 mm -59.75 131.41 24.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 177.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -103.43 88.95 3.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.124 176.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.764 ' HB3' ' HB3' ' A' ' 64' ' ' LYS . 53.7 m-85 -74.07 118.31 16.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.299 178.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -97.66 155.61 16.92 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.453 -177.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.39 114.27 17.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.828 0.823 . . . . 0.0 111.667 -179.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.485 ' HG ' ' HB2' ' A' ' 16' ' ' ALA . 1.4 pt? -137.47 165.85 25.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.24 -0.891 . . . . 0.0 108.899 176.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.4 m -57.54 138.7 54.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.31 0.381 . . . . 0.0 110.765 -177.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.634 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 68.7 t80 -50.26 -52.32 55.17 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.123 -177.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.634 ' HD3' ' HB3' ' A' ' 13' ' ' PHE . 71.2 Cg_exo -49.98 -43.32 42.3 Favored 'Trans proline' 0 C--N 1.36 1.138 0 C-N-CA 122.261 1.974 . . . . 0.0 112.789 174.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -68.34 -43.94 76.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.326 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.485 ' HB2' ' HG ' ' A' ' 11' ' ' LEU . . . -67.02 -41.92 85.79 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.034 -176.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.461 HD11 ' HA2' ' A' ' 94' ' ' GLY . 19.8 tp -62.08 -43.45 98.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.305 0.574 . . . . 0.0 110.069 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -62.95 -43.55 98.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.626 176.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.43 ' HA ' HG22 ' A' ' 22' ' ' VAL . 20.0 tpp180 -61.02 -39.41 89.67 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.894 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.433 ' HB2' ' HG ' ' A' ' 27' ' ' LEU . . . -62.81 -40.51 97.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.022 0.439 . . . . 0.0 110.527 176.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -67.16 -45.49 76.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.198 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.43 HG22 ' HA ' ' A' ' 19' ' ' ARG . 35.4 m -72.41 -25.71 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.857 0.361 . . . . 0.0 111.174 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -84.42 -13.71 51.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 110.392 177.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 65.0 29.35 12.26 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.908 -178.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -126.96 176.31 7.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.956 0.408 . . . . 0.0 110.404 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.469 ' HG ' ' HA ' ' A' ' 91' ' ' ASN . 7.3 mp -101.39 157.53 16.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.285 179.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.508 HD23 ' HB ' ' A' ' 61' ' ' VAL . 72.9 mt -89.03 115.18 26.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.43 178.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.405 ' CZ ' HD12 ' A' ' 87' ' ' LEU . 79.3 t80 -90.81 101.27 14.02 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 172.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.865 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 48.6 t -93.87 113.59 28.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.249 -172.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -79.78 100.98 8.21 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.429 174.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.6 t -103.07 113.29 26.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.455 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -140.1 152.87 46.49 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.19 -177.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.85 155.23 17.49 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.0 m -71.26 -4.75 27.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.063 0.458 . . . . 0.0 111.637 -174.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -74.96 131.36 40.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.908 176.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.4 t -81.05 114.44 19.92 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.42 ' HA3' ' HD2' ' A' ' 38' ' ' PRO . . . -152.55 -131.77 1.71 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.074 -179.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.42 ' HD2' ' HA3' ' A' ' 37' ' ' GLY . 10.1 Cg_endo -54.82 -24.42 38.32 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 123.353 2.702 . . . . 0.0 112.905 -179.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.4 p -60.12 -30.36 69.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.59 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -62.89 -28.99 70.42 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.833 0.349 . . . . 0.0 110.503 -178.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -73.89 -43.2 59.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.912 177.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.611 ' O ' HG12 ' A' ' 46' ' ' VAL . 58.5 tp -62.56 -48.45 79.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.449 178.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.493 ' HA ' ' CD2' ' A' ' 47' ' ' PHE . 22.3 m -57.65 -29.21 64.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.247 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -75.23 -29.03 60.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.727 -177.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.3 m -100.27 -49.19 11.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -175.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 42' ' ' LEU . 14.1 p -74.04 -26.74 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.945 0.402 . . . . 0.0 111.791 -171.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.493 ' CD2' ' HA ' ' A' ' 43' ' ' SER . 48.0 m-85 -91.47 15.63 11.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.521 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -125.25 -41.86 2.03 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.635 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.418 ' OD2' HG23 ' A' ' 52' ' ' VAL . 26.3 t70 -73.96 118.04 16.45 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.019 0.438 . . . . 0.0 111.02 -177.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.5 m -69.52 -26.28 64.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.91 -175.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.9 tp -69.85 -49.18 55.03 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.606 HG22 HD11 ' A' ' 110' ' ' LEU . 97.5 t -62.06 -39.65 84.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.143 176.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.534 ' HA ' ' CD1' ' A' ' 6' ' ' ILE . . . -56.72 -45.71 81.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.154 178.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -72.41 -41.2 66.5 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.952 0.406 . . . . 0.0 110.798 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -56.53 -52.45 64.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.339 -176.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -75.16 -30.63 60.79 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -178.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -72.14 -40.7 67.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.67 0.271 . . . . 0.0 111.6 -177.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -81.27 -37.34 28.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.599 -174.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -81.25 -36.61 29.72 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -175.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.408 ' CD1' ' HB2' ' A' ' 26' ' ' LEU . 82.3 m-85 -129.35 163.29 26.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.957 0.408 . . . . 0.0 111.098 -175.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.508 ' HB ' HD23 ' A' ' 27' ' ' LEU . 46.1 t -85.75 122.01 37.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 174.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -81.12 100.48 9.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.207 0.527 . . . . 0.0 110.578 -176.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.489 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 47.9 tp -119.21 125.74 49.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.201 -178.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.764 ' HB3' ' HB3' ' A' ' 8' ' ' PHE . 13.6 ptmm? -103.73 141.9 35.28 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 176.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 18.7 mmt -137.2 129.29 29.32 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.737 0.303 . . . . 0.0 110.426 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.575 ' O ' ' HA3' ' A' ' 72' ' ' GLY . 2.2 t70 -73.51 157.68 36.31 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 176.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 87.0 mtp -94.55 -12.32 27.78 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.058 -178.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -115.59 -42.68 3.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.791 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -83.33 129.38 34.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -177.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.86 -149.01 21.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.47 176.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 1.1 pm0 -84.48 3.08 37.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.796 0.331 . . . . 0.0 110.502 178.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.575 ' HA3' ' O ' ' A' ' 66' ' ' ASP . . . -57.84 -31.7 64.87 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.477 178.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.453 HG23 ' NH2' ' A' ' 76' ' ' ARG . 6.7 p -60.61 -33.66 55.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 177.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -67.52 -49.63 62.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.115 -179.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.03 -35.4 80.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.642 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.453 ' NH2' HG23 ' A' ' 73' ' ' VAL . 61.4 ttp180 -55.38 -47.6 75.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.423 178.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.419 ' HB3' ' HE3' ' A' ' 77' ' ' LYS . 22.6 ttpp -76.38 -35.16 58.8 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.105 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -66.48 -41.32 89.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.612 -173.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -87.18 -9.06 56.18 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.047 -177.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 62.66 64.39 3.88 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.927 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.416 HG21 ' HG3' ' A' ' 76' ' ' ARG . 32.3 m -72.78 138.75 20.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.214 0.53 . . . . 0.0 112.059 -175.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -133.47 18.59 3.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.425 0.631 . . . . 0.0 109.62 171.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -132.74 167.75 19.57 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.75 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.699 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 77.7 m-85 -92.36 -51.44 0.28 Allowed Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.307 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.699 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 7.4 Cg_endo -88.48 125.64 1.79 Allowed 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 122.197 1.931 . . . . 0.0 111.547 174.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 64.1 m -139.55 127.79 22.59 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.762 0.315 . . . . 0.0 110.568 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.569 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 3.0 mm? -97.3 117.01 30.57 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.865 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 94.7 mt -106.44 133.43 51.13 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.782 -177.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -116.02 106.24 13.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.833 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 65.1 mt -112.44 121.85 65.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.469 ' HA ' ' HG ' ' A' ' 26' ' ' LEU . 22.4 p-10 -84.21 177.08 8.34 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.509 -176.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.1 m -63.05 -22.26 66.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.26 -176.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.8 m -80.73 -0.21 37.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.197 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.461 ' HA2' HD11 ' A' ' 17' ' ' LEU . . . 72.95 34.3 59.0 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.02 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -124.27 150.87 44.88 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.973 0.415 . . . . 0.0 110.76 -177.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.5 t -78.99 93.55 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.543 176.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 9.2 p -72.05 -34.05 49.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.437 -178.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -154.26 147.23 24.51 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.595 177.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -126.38 128.59 47.28 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 177.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.569 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 47.0 tp -120.11 111.62 18.09 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.41 -178.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 60.8 t -93.81 120.01 42.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.257 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.73 159.59 32.75 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.585 -0.816 . . . . 0.0 111.348 -177.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.426 ' HB1' HD22 ' A' ' 42' ' ' LEU . . . -131.24 138.92 49.54 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.109 0.481 . . . . 0.0 110.658 -178.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -112.55 -175.22 2.62 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.715 -174.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.411 ' HB2' ' HB2' ' A' ' 108' ' ' GLU . 18.5 m-20 -59.86 155.22 16.79 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 173.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.589 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -48.39 -54.04 29.4 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.589 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 24.3 Cg_exo -64.13 -38.0 38.9 Favored 'Trans proline' 0 C--N 1.359 1.098 0 C-N-CA 121.783 1.655 . . . . 0.0 112.219 177.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.411 ' HB2' ' HB2' ' A' ' 105' ' ' ASP . 1.7 tm-20 -65.83 -33.7 76.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.583 -179.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.4 ' O ' HG23 ' A' ' 113' ' ' VAL . 18.9 tp -69.06 -44.03 73.42 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.12 177.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.606 HD11 HG22 ' A' ' 52' ' ' VAL . 94.7 mt -54.88 -47.59 74.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.548 -179.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -65.71 -41.42 92.35 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.128 -0.229 . . . . 0.0 111.379 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -57.17 -46.06 83.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.184 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.403 ' O ' HG22 ' A' ' 117' ' ' VAL . 96.2 t -67.13 -48.9 77.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.701 0.286 . . . . 0.0 110.9 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -58.84 -45.88 88.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.425 -176.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 40.1 tp -77.22 -29.77 54.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.985 0.421 . . . . 0.0 111.049 -178.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -68.22 -42.87 82.27 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.149 -0.548 . . . . 0.0 113.348 -175.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 113' ' ' VAL . 35.3 m -89.39 -3.08 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -176.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -126.68 98.41 5.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.916 0.389 . . . . 0.0 110.943 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.2 t -102.51 143.73 31.84 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 172.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -80.37 95.14 6.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.244 0.545 . . . . 0.0 109.938 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.966 0 CA-C-O 118.474 -1.181 . . . . 0.0 111.208 -176.848 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.628 0.251 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -98.4 105.63 17.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.059 0.457 . . . . 0.0 110.124 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.34 144.5 42.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.068 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -110.93 -49.89 2.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.922 0.391 . . . . 0.0 110.728 -177.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.1 -126.21 2.54 Favored Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.875 -173.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.468 HG12 ' HA ' ' A' ' 53' ' ' ALA . 25.6 mt -59.95 138.69 20.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 114.951 -0.625 . . . . 0.0 111.165 -178.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -102.68 102.58 12.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.074 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.918 ' HB3' ' HB2' ' A' ' 64' ' ' LYS . 80.6 m-85 -90.58 131.33 36.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.107 178.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.459 ' HG3' HD13 ' A' ' 11' ' ' LEU . 15.2 ptp180 -108.66 142.18 39.53 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.711 -177.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -93.41 94.16 8.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.786 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.459 HD13 ' HG3' ' A' ' 9' ' ' ARG . 9.9 mp -122.44 167.36 13.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.545 175.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.2 m -73.83 161.9 29.69 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 175.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.499 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 38.3 t80 -62.38 -50.69 78.07 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-O 119.481 -0.295 . . . . 0.0 111.133 -178.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 10.1 Cg_endo -55.31 -42.32 69.59 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 122.036 1.824 . . . . 0.0 112.214 174.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -57.78 -53.99 51.93 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 121.129 0.49 . . . . 0.0 110.856 177.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.39 -33.2 75.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.109 -177.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.9 tp -64.25 -46.63 82.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.225 0.536 . . . . 0.0 109.835 177.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -61.22 -41.42 96.83 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.901 176.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.7 mmm-85 -60.35 -47.91 84.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.816 175.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.07 -37.35 76.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.98 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -63.14 -47.59 82.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.879 177.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.9 t -70.74 -48.88 55.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.612 -177.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -63.94 -24.99 67.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.988 0.423 . . . . 0.0 109.946 177.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.5 t0 58.98 64.18 1.46 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.555 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -159.77 174.81 13.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.664 -178.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.7 mp -73.6 141.74 46.59 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.226 0.536 . . . . 0.0 111.196 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.535 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 59.5 tp -90.34 122.26 33.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.551 178.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -102.28 111.38 23.65 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.891 ' HB ' ' HB2' ' A' ' 88' ' ' LEU . 46.0 t -101.59 117.73 47.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.321 0.582 . . . . 0.0 111.227 -176.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.52 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 11.7 t70 -81.3 112.8 18.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.029 175.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.8 m -122.16 122.63 39.63 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.166 175.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -143.75 155.45 44.19 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.006 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -100.8 152.79 20.08 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 171.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.4 t -66.24 -2.94 4.84 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -176.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -71.83 117.78 13.85 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 175.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.8 p -90.92 88.51 7.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.254 0.55 . . . . 0.0 111.874 -172.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.38 -106.71 1.03 Allowed Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -53.76 -32.47 66.13 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.911 2.407 . . . . 0.0 112.57 175.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.0 t -64.61 -33.54 76.18 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 110.593 178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -74.42 -35.43 63.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.945 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 32.3 mtp-105 -62.55 -42.27 99.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.206 0.527 . . . . 0.0 109.985 177.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.582 HD12 HG21 ' A' ' 46' ' ' VAL . 42.1 tp -61.6 -49.52 76.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.408 177.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.61 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 47.9 m -64.42 -29.88 70.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.676 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -66.07 -58.99 4.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.117 -177.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.441 HG23 HG23 ' A' ' 46' ' ' VAL . 14.5 m -95.18 -45.56 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -171.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.582 HG21 HD12 ' A' ' 42' ' ' LEU . 62.1 t -71.01 -39.94 75.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.827 0.346 . . . . 0.0 111.545 -172.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.61 ' CD1' ' HA ' ' A' ' 43' ' ' SER . 59.7 m-85 -81.68 48.55 1.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.088 0.471 . . . . 0.0 111.521 -177.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -147.49 -38.83 0.19 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.289 177.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.543 ' HB3' HG12 ' A' ' 52' ' ' VAL . 29.1 t70 -64.22 130.04 42.31 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 -178.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.7 m -67.93 -39.9 83.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.607 -175.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.0 mt -70.24 -48.36 57.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.642 -173.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.564 HG23 HD21 ' A' ' 110' ' ' LEU . 6.1 p -66.45 -39.3 83.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.36 0.6 . . . . 0.0 110.23 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.468 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -62.79 -50.04 72.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.795 177.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -57.51 -44.12 84.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.781 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -54.67 -57.67 10.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.285 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.417 ' HA ' ' HD2' ' A' ' 60' ' ' PHE . 61.8 m-85 -71.52 -37.25 71.22 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -177.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.563 ' HA ' ' ND2' ' A' ' 62' ' ' ASN . 65.4 t30 -69.43 -35.95 76.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.58 0.229 . . . . 0.0 111.417 -175.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -88.25 -48.44 7.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.794 0.33 . . . . 0.0 111.559 -178.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -73.68 -25.84 60.44 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -171.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.417 ' HD2' ' HA ' ' A' ' 56' ' ' PHE . 81.4 m-85 -123.74 154.98 38.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.628 0.252 . . . . 0.0 110.599 -177.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.4 t -89.61 114.1 27.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 170.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.563 ' ND2' ' HA ' ' A' ' 57' ' ' ASN . 41.3 m-80 -90.47 109.19 20.32 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.5 0.667 . . . . 0.0 111.785 -171.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.3 tp -104.25 139.85 38.68 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.548 178.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.918 ' HB2' ' HB3' ' A' ' 8' ' ' PHE . 57.5 tttp -121.88 133.11 54.86 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.6 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 51.7 mtt -146.53 157.82 43.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.729 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.631 ' HB3' ' H ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -96.41 160.22 14.53 Favored 'General case' 0 CA--C 1.492 -1.264 0 CA-C-O 121.261 0.553 . . . . 0.0 109.815 172.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 12.4 ptp -103.85 -1.04 28.39 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.88 169.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -113.3 -24.75 9.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.118 0.485 . . . . 0.0 110.362 -177.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.631 ' H ' ' HB3' ' A' ' 66' ' ' ASP . 34.1 mmtp -101.22 146.69 27.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.06 178.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 62.88 -135.42 43.75 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.782 -0.645 . . . . 0.0 113.393 174.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -83.19 10.93 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.055 0.455 . . . . 0.0 110.769 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -58.84 -31.67 68.47 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.632 -0.713 . . . . 0.0 113.125 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.4 m -62.31 -35.7 70.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 116.953 0.377 . . . . 0.0 111.684 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -73.92 -40.6 63.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.839 0.352 . . . . 0.0 110.527 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.476 ' O ' ' HD1' ' A' ' 79' ' ' TYR . 94.8 mt -66.19 -31.25 71.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.111 176.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.873 ' HG3' HG21 ' A' ' 81' ' ' VAL . 19.0 ttm180 -58.16 -55.72 31.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.859 177.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -72.31 -22.37 61.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 110.702 -178.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -64.43 -39.97 94.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.825 178.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.476 ' HD1' ' O ' ' A' ' 75' ' ' LEU . 78.0 m-85 -105.45 -14.63 15.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.436 -176.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 113.34 -49.1 0.87 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.506 -0.854 . . . . 0.0 114.032 169.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.873 HG21 ' HG3' ' A' ' 76' ' ' ARG . 48.0 t 53.58 103.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 122.03 0.919 . . . . 0.0 112.797 -170.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 -121.46 -40.89 2.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.167 171.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.54 -167.45 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.17 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.756 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 71.3 m-85 -98.93 -52.4 0.2 Allowed Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.837 -0.165 . . . . 0.0 111.171 176.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.756 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 12.1 Cg_endo -93.01 142.49 2.07 Favored 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 122.329 2.02 . . . . 0.0 112.122 175.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.3 m -147.19 124.8 11.76 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.981 0.419 . . . . 0.0 110.893 178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 100' ' ' LEU . 2.4 mm? -101.73 119.52 38.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.472 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.891 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 88.9 mt -106.96 130.99 54.53 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.112 0.482 . . . . 0.0 111.546 -175.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -108.91 110.93 22.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.587 175.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.535 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 39.6 mm -112.52 138.29 42.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.761 -176.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -74.83 161.9 29.15 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 174.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.9 p -69.36 -17.0 63.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.101 0.477 . . . . 0.0 110.701 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.4 m -79.45 -9.28 59.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.354 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 85.21 53.93 2.99 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.396 -178.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.85 154.52 38.53 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -179.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 33.5 m -85.93 137.09 21.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.185 0.516 . . . . 0.0 111.39 -174.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.8 t -89.52 -58.57 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.349 175.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -155.56 141.27 18.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.541 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 99' ' ' ARG . 46.1 ttp180 -103.15 113.72 27.43 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.493 ' HB3' ' HB2' ' A' ' 87' ' ' LEU . 51.0 tp -99.86 107.51 19.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.923 0.392 . . . . 0.0 110.269 -179.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 30.8 m -98.25 144.46 11.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.523 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 88.85 145.93 12.18 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.813 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 42' ' ' LEU . . . -116.93 115.09 24.8 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.932 0.396 . . . . 0.0 110.373 -178.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -99.22 175.32 5.93 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.726 -178.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -73.76 173.94 9.12 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 175.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.569 ' HB3' ' HD3' ' A' ' 107' ' ' PRO . . . -52.34 -55.16 34.26 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -171.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.569 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 22.8 Cg_exo -63.53 -42.62 20.48 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 121.774 1.649 . . . . 0.0 112.478 -178.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 49.0 tp10 -69.48 -39.62 77.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.693 -177.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 41.6 tp -59.71 -47.31 86.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.075 0.464 . . . . 0.0 110.073 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.564 HD21 HG23 ' A' ' 52' ' ' VAL . 84.8 mt -58.04 -35.02 70.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.124 -0.943 . . . . 0.0 111.047 177.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -66.77 -47.16 73.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.146 0.498 . . . . 0.0 110.116 176.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 108' ' ' GLU . 14.4 mmmm -63.42 -36.98 85.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.767 -176.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.0 p -73.53 -39.92 54.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.082 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -65.33 -55.24 19.34 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.552 0.215 . . . . 0.0 110.999 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.5 -9.23 56.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.475 -176.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -80.74 -28.18 47.8 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.265 178.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 40.5 t -115.07 -52.87 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.698 0.285 . . . . 0.0 110.676 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 66.8 116.5 0.03 OUTLIER 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.568 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.6 m 64.18 84.74 0.15 Allowed 'General case' 0 C--O 1.236 0.387 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.408 175.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -81.78 -13.36 57.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.565 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.781 0 CA-C-O 118.923 -0.932 . . . . 0.0 111.256 -178.653 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 120.814 0.34 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -147.92 159.25 44.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.339 0.59 . . . . 0.0 111.723 -177.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -138.04 23.54 2.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.15 174.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -86.82 108.32 18.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.946 -1.024 . . . . 0.0 111.291 -175.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 67.22 -170.37 34.37 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.85 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.573 ' HB ' ' CD2' ' A' ' 47' ' ' PHE . 73.6 mt -95.81 114.42 32.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.026 0.441 . . . . 0.0 109.945 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.82 121.56 32.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.084 -176.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.564 ' HE2' ' HE2' ' A' ' 47' ' ' PHE . 57.6 m-85 -94.9 147.77 23.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.275 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 63' ' ' LEU . 20.4 mtt180 -113.27 144.79 42.13 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -126.36 93.5 3.82 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.88 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.3 mt -114.67 168.04 10.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.428 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.4 m -58.03 154.22 13.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.809 0.338 . . . . 0.0 110.677 175.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.435 ' N ' ' HD2' ' A' ' 14' ' ' PRO . 74.6 t80 -53.73 -54.76 42.76 Favored Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -176.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 13' ' ' PHE . 28.9 Cg_endo -62.52 -32.95 79.9 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 121.952 1.768 . . . . 0.0 112.144 178.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -62.89 -49.54 74.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.707 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.03 -42.53 98.64 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.254 -176.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.4 mt -64.33 -46.52 83.14 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.895 0.379 . . . . 0.0 111.03 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -61.64 -46.49 89.57 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.738 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -64.07 -40.14 95.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.089 178.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.466 ' HA ' ' HB2' ' A' ' 24' ' ' ASP . . . -57.16 -48.48 78.62 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.734 177.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.83 -38.52 85.74 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.51 -177.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.8 t -84.66 -57.35 4.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -173.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -109.55 0.35 19.14 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -169.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.466 ' HB2' ' HA ' ' A' ' 20' ' ' ALA . 30.7 m-20 -136.23 -149.29 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 177.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -129.04 -78.99 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.513 HD22 ' HA ' ' A' ' 91' ' ' ASN . 92.4 mt -112.06 159.45 18.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.911 0.386 . . . . 0.0 110.946 -177.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.526 ' HB3' ' HB ' ' A' ' 90' ' ' ILE . 58.3 tp -95.75 129.89 42.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.279 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -116.67 107.94 15.31 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.655 HG22 HD23 ' A' ' 63' ' ' LEU . 48.5 t -99.3 120.83 49.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 120.937 0.399 . . . . 0.0 110.674 -178.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -90.69 105.04 17.55 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.654 176.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 94.5 m -109.79 113.08 25.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.307 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -126.55 160.91 29.28 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.458 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 m -100.79 164.12 12.0 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 177.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.0 t -64.83 -13.35 55.67 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -176.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 77.2 m95 -63.24 145.16 56.11 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.751 0.31 . . . . 0.0 110.313 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 56.4 m -92.77 172.37 8.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.846 -176.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.19 -112.25 1.77 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.446 -0.883 . . . . 0.0 113.608 176.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.507 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 10.0 Cg_endo -51.39 -42.56 54.33 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.725 2.95 . . . . 0.0 113.96 -171.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 70.0 m -62.73 -29.87 71.0 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -174.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.431 ' HA ' ' HD2' ' A' ' 40' ' ' LYS . 21.0 tptm -79.42 -35.45 40.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 110.322 178.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.8 mtm105 -63.43 -36.62 84.36 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.27 177.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 38' ' ' PRO . 95.4 mt -55.83 -45.75 78.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.417 176.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.568 ' HA ' ' HB2' ' A' ' 47' ' ' PHE . 16.4 m -58.23 -29.67 65.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.591 -178.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -86.29 -23.77 26.19 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -177.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.42 HG11 ' HB2' ' A' ' 105' ' ' ASP . 45.9 t -109.02 -56.44 4.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -175.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.564 ' HA ' ' HB2' ' A' ' 106' ' ' ALA . 11.9 p -84.78 -33.97 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.389 -175.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.573 ' CD2' ' HB ' ' A' ' 6' ' ' ILE . 58.5 m-85 -80.88 15.91 1.63 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.896 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -106.32 -34.53 7.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.802 0.334 . . . . 0.0 111.412 -176.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.435 ' OD2' ' HB3' ' A' ' 51' ' ' LEU . 36.1 t70 -76.16 124.62 27.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.883 0.373 . . . . 0.0 111.284 -175.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.7 m -67.79 -30.65 70.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.64 -176.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.435 ' HB3' ' OD2' ' A' ' 49' ' ' ASP . 41.4 tp -69.43 -51.99 31.05 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 83.3 t -61.63 -42.27 93.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.418 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.567 ' HA ' HG12 ' A' ' 6' ' ' ILE . . . -55.65 -43.48 76.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.098 178.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -72.32 -43.31 64.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -55.02 -48.73 73.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.31 -176.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -78.26 -30.76 48.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.457 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.48 ' HB2' ' O ' ' A' ' 53' ' ' ALA . 21.0 t-20 -61.01 -45.77 93.46 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.01 0.433 . . . . 0.0 111.079 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 58' ' ' ARG . 14.9 mmm180 -90.49 -35.04 15.33 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -175.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -87.92 -18.53 28.95 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -172.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -133.65 157.14 46.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.974 0.416 . . . . 0.0 110.75 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 65.9 t -90.41 110.12 21.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 171.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.519 ' HB3' ' CD1' ' A' ' 8' ' ' PHE . 93.2 m-20 -79.98 103.77 10.1 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.998 -179.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.655 HD23 HG22 ' A' ' 29' ' ' VAL . 48.9 tp -108.11 125.08 51.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.251 -0.432 . . . . 0.0 109.902 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -107.3 124.59 50.0 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 82.9 mtp -136.15 138.19 41.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.81 0.338 . . . . 0.0 111.102 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.418 ' O ' ' HA3' ' A' ' 72' ' ' GLY . 2.6 t70 -89.13 156.92 18.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.56 175.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 60.4 mtt -85.52 -4.11 59.06 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.623 -177.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -112.76 -12.96 13.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.431 0.634 . . . . 0.0 109.93 -178.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -101.62 120.34 40.18 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.431 -176.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.58 -123.91 20.55 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.723 -0.671 . . . . 0.0 113.507 171.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.49 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 1.1 pm0 -93.38 11.28 28.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.625 0.25 . . . . 0.0 110.786 -177.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' A' ' 66' ' ' ASP . . . -59.4 -34.2 79.66 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.385 174.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.3 p -67.28 -34.12 67.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 120.986 0.422 . . . . 0.0 110.955 176.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -71.04 -46.61 61.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.185 178.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 80.4 mt -65.02 -31.26 72.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.161 0.505 . . . . 0.0 110.339 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -59.51 -52.34 65.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.916 178.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -77.05 -31.57 56.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.39 -178.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -63.14 -44.58 95.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.997 -177.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -89.74 -28.29 19.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.636 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 81.03 74.48 1.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.492 176.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.8 p -76.26 134.79 28.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.254 0.549 . . . . 0.0 111.183 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -136.18 21.5 3.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.601 176.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -139.5 -168.23 2.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.716 -176.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.854 ' HB2' ' HD3' ' A' ' 85' ' ' PRO . 36.8 m-85 -92.46 -57.63 0.23 Allowed Pre-proline 0 C--N 1.325 -0.476 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.909 175.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.854 ' HD3' ' HB2' ' A' ' 84' ' ' TYR . 73.7 Cg_endo -97.58 151.66 0.92 Allowed 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 122.673 2.249 . . . . 0.0 112.641 177.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.6 m -148.84 122.1 8.97 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.511 174.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.608 HD22 HD23 ' A' ' 100' ' ' LEU . 6.9 mp -99.33 117.35 33.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.891 179.029 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.498 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 3.0 mm? -102.56 136.22 42.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.808 -178.175 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.438 ' HZ ' HG22 ' A' ' 113' ' ' VAL . 93.6 m-85 -118.21 107.04 13.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.849 176.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.526 ' HB ' ' HB3' ' A' ' 27' ' ' LEU . 35.7 mm -106.64 127.85 61.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.188 0.518 . . . . 0.0 111.148 -176.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.513 ' HA ' HD22 ' A' ' 26' ' ' LEU . 28.7 p-10 -95.83 -178.15 4.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.985 178.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.0 m -66.72 -18.38 65.34 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.7 m -80.66 -26.15 37.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.873 0.368 . . . . 0.0 110.506 177.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 76.16 11.61 84.75 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.512 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -96.68 16.04 20.13 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 -174.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 27.0 t 67.18 103.87 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 O-C-N 123.693 0.62 . . . . 0.0 111.241 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.8 p -79.07 -31.26 14.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.989 0.423 . . . . 0.0 109.879 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -166.1 146.4 6.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.947 176.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.414 ' HD3' HH11 ' A' ' 99' ' ' ARG . 35.4 ttt180 -125.09 117.81 24.76 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.608 HD23 HD22 ' A' ' 87' ' ' LEU . 57.0 tp -99.22 110.09 22.68 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.088 0.47 . . . . 0.0 110.745 -177.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 46.6 t -94.66 104.71 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.751 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 119.51 151.84 8.95 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -176.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -138.14 114.67 10.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 117.135 0.467 . . . . 0.0 111.596 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -99.8 -175.41 2.96 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.706 177.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.466 ' OD2' ' HD2' ' A' ' 107' ' ' PRO . 7.3 p-10 -72.12 170.31 14.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.69 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.564 ' HB2' ' HA ' ' A' ' 46' ' ' VAL . . . -45.11 -54.57 13.48 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -171.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.553 ' HD3' ' HB3' ' A' ' 106' ' ' ALA . 33.6 Cg_exo -58.8 -53.82 3.43 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.73 1.62 . . . . 0.0 112.982 -174.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -76.02 -23.09 55.16 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.494 ' O ' HG23 ' A' ' 113' ' ' VAL . 24.6 tp -66.04 -51.92 53.81 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.2 tp -59.18 -33.16 70.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.307 177.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -58.88 -48.78 80.18 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.509 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -70.15 -37.73 75.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.25 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.542 ' O ' HG23 ' A' ' 117' ' ' VAL . 70.4 t -61.47 -53.08 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.646 0.26 . . . . 0.0 111.019 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 118' ' ' GLU . 27.4 mtpp -66.21 -54.73 21.67 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -176.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 89.5 mt -73.37 -14.2 61.23 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -175.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -82.78 -31.25 30.07 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.548 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 113' ' ' VAL . 69.7 t -79.05 -30.61 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 111.042 -178.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 114' ' ' LYS . 7.1 pt-20 -100.86 115.5 30.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.877 0.37 . . . . 0.0 111.166 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.2 t 74.83 111.48 0.07 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.121 177.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -92.19 -5.33 52.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.985 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.801 0 CA-C-O 118.78 -1.011 . . . . 0.0 111.394 -179.731 . . . . . . . . 0 0 . 1 stop_ save_