data_2kgc_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 2kgc _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 ' 4' ' ' LEU . . . . . . . . . . . . . 82.4 mt . . . . . 0 CA--C 1.532 0.25 0 CA-C-O 120.987 0.422 . . . . 1.48 111.485 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.627 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 1.2 tt -85.2 123.75 31.07 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.591 -0.522 . . . . 1.62 109.591 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.526 ' OG1' ' HB2' ' A' ' 9' ' ' ASP . 67.9 p -106.15 173.53 6.27 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.138 -0.225 . . . . 1.75 111.437 -177.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.3 p -59.23 -56.78 17.74 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.265 0.555 . . . . 1.8 110.94 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.555 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 32.2 t70 -62.93 -38.73 92.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.49 -0.777 . . . . 2.19 111.085 -177.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.526 ' HB2' ' OG1' ' A' ' 6' ' ' THR . 0.2 OUTLIER -61.31 -44.94 96.37 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.752 0.311 . . . . 1.12 110.36 178.564 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.4 tp -62.74 -46.46 87.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 1.77 109.851 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -55.5 -41.9 73.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.583 -0.735 . . . . 2.74 111.08 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.555 ' HG2' ' O ' ' A' ' 8' ' ' ASP . 23.9 mmm180 -68.17 -43.47 78.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.315 -0.402 . . . . 4.33 110.892 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.3 -41.42 93.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.451 -0.341 . . . . 1.24 111.896 -173.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 40' ' ' TYR . 4.3 mm? -59.82 -45.57 91.96 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.976 0.417 . . . . 1.47 110.678 176.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 52.8 t -67.66 -48.02 77.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.855 -0.611 . . . . 1.36 110.845 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 47.3 mt-10 -57.69 -29.96 65.09 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.22 -0.445 . . . . 1.49 111.556 -177.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.479 ' OG ' ' HG3' ' A' ' 51' ' ' ARG . 18.1 m -81.61 -54.6 5.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.967 0.413 . . . . 1.61 111.405 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 CA-C-O 120.903 0.382 . . . . 1.7 111.607 -174.571 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 N--CA 1.46 0.063 0 CA-C-O 121.097 0.475 . . . . 2.2 110.343 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.2 m -83.62 11.53 7.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.876 -0.602 . . . . 2.49 110.988 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.61 -117.46 1.75 Allowed Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.605 -0.807 . . . . 1.85 112.199 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -108.16 108.69 19.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.195 0.521 . . . . 2.77 110.456 -178.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -121.24 -30.94 4.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.39 -0.823 . . . . 1.19 111.22 -174.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.3 mt -57.22 -30.37 64.54 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.613 0.597 . . . . 1.4 112.613 -177.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -90.62 -17.45 26.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.58 -0.282 . . . . 2.29 111.239 -175.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.0 mt -86.68 150.33 24.27 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.904 -0.406 . . . . 1.78 109.904 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.514 ' HG2' ' OD2' ' A' ' 69' ' ' ASP . 64.3 mtm180 -73.87 161.89 29.67 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.617 -0.512 . . . . 3.44 109.617 177.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -54.78 -46.6 74.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.992 0.425 . . . . 0.68 111.062 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -65.47 -22.27 66.73 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.117 -0.492 . . . . 2.6 112.197 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -79.38 -32.91 43.19 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.873 -0.417 . . . . 2.03 109.873 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.468 HG13 ' HD1' ' A' ' 40' ' ' TYR . 15.6 pt -88.93 14.95 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 1.29 110.916 176.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.49 32.18 62.35 Favored Glycine 0 CA--C 1.518 0.233 0 CA-C-N 115.58 -0.736 . . . . 0.68 113.766 172.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 43.6 m-85 -109.3 118.87 37.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.193 0.521 . . . . 1.09 111.47 178.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.1 150.76 47.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.078 -0.965 . . . . 1.93 110.519 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.8 p -52.89 -45.12 67.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.131 -0.486 . . . . 0.92 111.736 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -64.0 -49.39 72.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.001 -0.545 . . . . 1.8 110.255 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.04 -31.37 72.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.231 0.539 . . . . 1.21 110.502 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.3 tp -65.65 -46.6 78.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.588 -0.733 . . . . 1.38 111.194 177.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.1 ptm -71.15 -25.33 62.51 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.517 -0.473 . . . . 1.79 110.694 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 43.5 mt-10 -64.54 -41.47 96.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.017 0.437 . . . . 2.2 109.829 171.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.433 HG23 HD21 ' A' ' 14' ' ' LEU . 42.0 m -61.07 -39.88 91.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.308 -0.86 . . . . 1.25 110.606 177.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.51 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -56.73 -42.13 78.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.76 -0.655 . . . . 1.17 111.245 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.16 -32.85 73.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.305 0.574 . . . . 1.2 110.436 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.479 ' HG3' ' OG ' ' A' ' 17' ' ' SER . 10.3 mmt180 -68.19 -39.08 82.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.642 -0.708 . . . . 3.4 110.195 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.7 mt -62.54 -48.98 77.13 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.751 -0.659 . . . . 1.25 110.134 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.516 ' OE2' ' HA ' ' A' ' 59' ' ' SER . 55.2 mt-10 -58.6 -43.77 89.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.677 -0.692 . . . . 0.51 110.692 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.0 m -67.24 -25.53 66.13 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.334 0.494 . . . . 1.97 112.334 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -89.89 -47.81 7.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.976 0.417 . . . . 2.83 111.415 -175.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.627 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 68.7 m-85 -96.75 -6.17 36.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.252 -0.431 . . . . 1.36 111.632 -173.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.08 24.77 72.92 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.83 -0.7 . . . . 0.58 112.114 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.6 m -97.99 -171.34 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.756 0.312 . . . . 1.2 110.617 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.516 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 7.0 t -157.71 132.19 8.4 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.324 -0.621 . . . . 2.17 109.324 174.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.51 HD12 ' HB2' ' A' ' 49' ' ' ALA . 56.1 mt -97.57 120.89 59.7 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.291 -0.413 . . . . 1.21 110.934 -176.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 36.9 Cg_exo -63.2 154.66 66.27 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.564 2.843 . . . . 0.96 113.68 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -58.38 -56.96 15.35 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.04 -0.982 . . . . 1.99 112.908 -174.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -72.01 -40.0 68.79 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.673 0.273 . . . . 2.44 111.587 -169.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.1 p -73.26 -23.84 20.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.77 -0.372 . . . . 1.77 110.995 -175.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.414 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -61.9 -40.18 94.55 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.104 0.478 . . . . 1.23 111.127 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.18 1.32 84.54 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.85 -0.691 . . . . 0.77 112.751 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -100.65 0.38 39.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.502 -0.41 . . . . 4.26 111.781 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 65' ' ' ALA . 28.3 m -91.33 172.3 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.747 -0.381 . . . . 1.54 110.355 176.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.514 ' OD2' ' HG2' ' A' ' 34' ' ' ARG . 34.1 t70 -147.71 -47.9 0.17 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.302 -0.408 . . . . 1.75 110.957 -174.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.5 p -110.65 149.68 40.65 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.43 -0.35 . . . . 1.12 111.083 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -52.98 -37.07 77.99 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.639 2.893 . . . . 0.42 113.23 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.502 ' HD2' ' OE2' ' A' ' 73' ' ' GLU . 15.9 ttm180 -54.87 -50.44 68.69 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.463 -0.335 . . . . 4.31 110.727 -179.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.502 ' OE2' ' HD2' ' A' ' 72' ' ' ARG . 16.8 mm-40 -64.74 -34.3 77.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.818 -0.628 . . . . 2.43 110.667 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.89 -47.96 75.95 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.215 -0.661 . . . . 1.84 109.215 176.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 40.9 tp -57.88 -50.35 73.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.509 -0.769 . . . . 1.74 110.265 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.66 -42.38 83.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.474 -0.785 . . . . 1.43 111.122 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.42 -51.97 66.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.874 -0.603 . . . . 2.22 111.248 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.9 mt -70.51 -34.85 59.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.558 -0.292 . . . . 1.15 110.821 -176.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.37 -47.02 86.0 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.878 0.37 . . . . 1.67 110.259 174.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.16 -35.01 91.19 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.802 -0.636 . . . . 0.54 112.522 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.18 -34.52 75.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.701 0.286 . . . . 1.22 111.037 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.5 mt -72.37 -33.18 67.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.955 0.407 . . . . 1.53 110.45 176.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.86 -0.609 . . . . 1.34 111.521 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.451 HD22 HD11 ' A' ' 82' ' ' LEU . 35.5 mt . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.814 0.34 . . . . 1.48 110.745 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.595 HD12 HD23 ' A' ' 52' ' ' LEU . 0.8 OUTLIER -80.9 124.4 29.08 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.378 -0.601 . . . . 1.62 109.378 -177.834 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.2 p -102.43 177.89 4.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.739 0.304 . . . . 1.75 111.193 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.5 p -58.61 -56.01 27.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.555 0.693 . . . . 1.8 111.219 175.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.545 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 2.4 m-20 -65.6 -42.73 91.32 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.037 -0.983 . . . . 2.19 111.305 -174.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -62.63 -33.86 75.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.654 0.264 . . . . 1.12 111.009 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.21 -52.51 54.25 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.376 -0.602 . . . . 1.77 109.376 177.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 11' ' ' ARG . 41.6 ttp180 -56.63 -39.61 73.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.296 -0.865 . . . . 2.74 111.27 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 77.8 mtp180 -64.21 -39.62 94.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 4.33 111.367 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.9 -32.88 72.33 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.823 0.344 . . . . 1.24 110.969 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.445 HD12 HG21 ' A' ' 48' ' ' THR . 4.2 mm? -65.17 -53.83 38.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.006 -0.543 . . . . 1.47 110.224 174.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.3 t -64.95 -40.32 88.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.737 -0.665 . . . . 1.36 111.863 -176.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -62.1 -28.26 69.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.972 0.415 . . . . 1.49 111.011 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.2 m -85.76 -42.59 14.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.991 0.424 . . . . 1.61 110.365 174.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 115.666 -0.697 . . . . 1.7 110.435 179.076 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.86 0.362 . . . . 2.2 110.745 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -88.17 -8.35 55.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.284 -0.416 . . . . 2.49 110.915 -176.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -102.94 -161.42 25.65 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.772 -0.728 . . . . 1.85 113.204 -175.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -74.83 77.46 2.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.973 0.416 . . . . 2.77 110.692 -178.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -74.66 -27.94 60.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.319 -0.401 . . . . 1.19 111.082 -176.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.461 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 96.3 mt -56.09 -31.56 63.35 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.452 0.538 . . . . 1.4 112.452 -178.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -94.23 -9.0 37.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.443 -0.344 . . . . 2.29 111.55 -177.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.9 mt -91.47 138.86 31.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.64 -0.255 . . . . 1.78 110.395 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -73.28 163.56 27.92 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.826 -0.435 . . . . 3.44 109.826 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -58.22 -35.53 71.81 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.415 -0.357 . . . . 0.68 111.385 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -61.15 -33.88 74.13 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.683 -0.235 . . . . 2.6 111.553 174.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -81.91 -27.81 33.18 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.77 0.319 . . . . 2.03 110.618 -172.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.8 pt -88.81 8.17 3.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.949 0.404 . . . . 1.29 110.977 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 60.62 47.81 89.35 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.764 -0.653 . . . . 0.68 113.573 175.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -113.75 119.06 36.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.053 0.454 . . . . 1.09 111.191 176.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -64.37 147.58 52.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.215 -0.902 . . . . 1.93 111.362 178.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.2 p -51.37 -44.62 62.17 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.836 -0.62 . . . . 0.92 111.164 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.702 HD11 ' HE2' ' A' ' 46' ' ' MET . 35.8 tp -55.2 -51.5 66.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.768 -0.651 . . . . 1.8 110.888 178.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.97 -30.71 71.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.053 -0.522 . . . . 1.21 110.95 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.0 tp -68.84 -44.21 73.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.935 -0.575 . . . . 1.38 111.485 -177.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.702 ' HE2' HD11 ' A' ' 43' ' ' LEU . 17.2 ptt? -68.13 -29.48 68.4 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.523 -0.471 . . . . 1.79 110.151 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -66.95 -39.35 87.26 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.123 0.487 . . . . 2.2 110.432 173.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 54.1 m -63.34 -37.1 85.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.598 -0.728 . . . . 1.25 110.9 178.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.5 -44.95 85.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.43 . . . . 1.17 111.123 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.05 -30.24 70.21 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.444 -0.798 . . . . 1.2 110.688 -177.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 48' ' ' THR . 40.0 mmt180 -58.28 -55.09 39.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.683 -0.69 . . . . 3.4 110.576 178.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.595 HD23 HD12 ' A' ' 5' ' ' LEU . 86.0 mt -61.27 -44.39 97.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.989 -0.551 . . . . 1.25 111.127 -174.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.561 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 53.1 mt-10 -60.48 -56.16 24.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.152 -0.476 . . . . 0.51 111.109 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.0 t -65.08 -32.46 74.18 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.015 0.436 . . . . 1.97 111.401 -177.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.447 HH11 ' HD2' ' A' ' 55' ' ' ARG . 20.0 ttt180 -68.16 -40.34 82.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.918 -0.583 . . . . 2.83 111.467 -174.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -115.93 4.62 13.86 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.189 0.44 . . . . 1.36 112.189 -175.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.77 37.21 83.94 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.888 -0.672 . . . . 0.58 112.499 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.561 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 29.2 m -106.95 -170.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.667 0.27 . . . . 1.2 110.825 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 p -155.0 126.69 7.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.995 -0.548 . . . . 2.17 109.598 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 60.3 mt -91.92 130.31 38.92 Favored Pre-proline 0 C--N 1.318 -0.778 0 N-CA-C 110.044 -0.354 . . . . 1.21 110.044 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.565 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 54.4 Cg_exo -52.34 138.41 55.84 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.918 2.412 . . . . 0.96 112.933 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -54.4 -53.47 53.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.017 -0.992 . . . . 1.99 112.436 -174.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -78.89 -37.59 39.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.743 0.306 . . . . 2.44 111.259 -176.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.565 ' HB ' ' HB2' ' A' ' 61' ' ' PRO . 43.0 t -72.23 -19.79 19.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.775 0.321 . . . . 1.77 111.68 -174.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.88 -44.3 94.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.107 0.48 . . . . 1.23 111.502 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.39 33.7 5.3 Favored Glycine 0 C--N 1.321 -0.303 0 CA-C-N 115.825 -0.625 . . . . 0.77 112.771 -176.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -133.13 9.6 4.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.971 0.415 . . . . 4.26 110.854 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.4 m -93.72 129.47 44.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.106 -0.497 . . . . 1.54 110.079 176.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -98.32 -44.43 6.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.873 0.368 . . . . 1.75 111.605 -175.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.2 p -117.9 155.49 50.97 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.406 -0.361 . . . . 1.12 111.147 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.461 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 87.6 Cg_exo -48.65 -37.9 35.52 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.284 2.656 . . . . 0.42 113.004 174.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -51.5 -50.93 58.95 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 120.97 0.414 . . . . 4.31 110.812 178.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -60.76 -49.42 77.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.414 -0.812 . . . . 2.43 110.618 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -56.58 -52.15 65.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.635 -0.711 . . . . 1.84 109.898 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 57.2 tp -59.36 -53.42 58.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.967 -0.561 . . . . 1.74 111.313 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -57.22 -42.86 82.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.709 -0.678 . . . . 1.43 111.65 -174.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.14 -42.97 99.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.473 -0.33 . . . . 2.22 111.248 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.412 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 60.7 mt -67.09 -41.99 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 110.028 -0.36 . . . . 1.15 110.028 178.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -59.94 -35.72 75.54 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.389 -0.369 . . . . 1.67 110.441 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.43 -38.09 95.32 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.134 -0.555 . . . . 0.54 112.069 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.13 -34.23 68.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.939 0.4 . . . . 1.22 110.252 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.451 HD11 HD22 ' A' ' 4' ' ' LEU . 95.3 mt -70.61 -37.93 73.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.886 -0.597 . . . . 1.53 110.776 178.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.293 0 CA-C-O 121.02 0.438 . . . . 1.34 110.583 175.762 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 121.113 0.482 . . . . 1.48 111.157 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.769 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 2.8 tt -86.71 122.1 30.15 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 107.724 -1.213 . . . . 1.62 107.724 172.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.86 160.53 15.44 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.416 0.524 . . . . 1.75 112.416 -177.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.62 -51.6 68.07 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 115.547 -0.751 . . . . 1.8 112.908 -175.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -58.58 -44.48 89.82 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.022 0.439 . . . . 2.19 111.257 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.29 -33.32 75.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.797 -0.638 . . . . 1.12 110.832 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.7 tp -68.69 -44.01 74.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 1.77 109.939 174.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -54.99 -43.07 73.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.97 -0.559 . . . . 2.74 110.791 176.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -69.68 -33.68 72.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.928 -0.578 . . . . 4.33 111.523 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.72 91.58 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.11 0.411 . . . . 1.24 112.11 -171.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.58 ' HB2' HD23 ' A' ' 26' ' ' LEU . 3.8 mm? -63.15 -38.88 92.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.895 0.378 . . . . 1.47 110.649 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.7 t -69.88 -46.69 73.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.285 -0.416 . . . . 1.36 110.668 -178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.82 -31.58 72.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 1.49 111.457 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.5 m -79.52 -39.13 32.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.711 0.291 . . . . 1.61 111.26 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.935 0.398 . . . . 1.7 110.372 178.857 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.58 HD23 ' HB2' ' A' ' 14' ' ' LEU . 32.5 tp . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 121.469 0.652 . . . . 2.2 109.445 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.5 m -83.21 -47.81 11.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.623 -0.717 . . . . 2.49 111.103 -172.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -103.27 -30.93 5.18 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.428 -0.891 . . . . 1.85 113.051 -175.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -146.59 145.19 30.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.925 0.363 . . . . 2.77 110.161 -174.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -169.9 -29.25 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.449 0.907 . . . . 1.19 113.449 -178.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.603 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 48.0 mt -54.47 -33.06 58.99 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.04 1.126 . . . . 1.4 114.04 -170.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -102.71 4.42 38.08 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.896 -0.322 . . . . 2.29 111.497 -177.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.1 mt -90.69 130.72 36.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.9 0.381 . . . . 1.78 110.612 176.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -70.79 141.12 51.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.375 -0.375 . . . . 3.44 110.577 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -54.54 -40.04 68.29 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.905 0.383 . . . . 0.68 111.069 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -58.3 -36.92 74.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.845 -0.616 . . . . 2.6 111.211 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -85.21 -18.81 32.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.232 -0.44 . . . . 2.03 112.061 -173.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.482 HG13 ' HD1' ' A' ' 40' ' ' TYR . 22.8 pt -95.76 11.2 4.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.635 -0.426 . . . . 1.29 111.303 177.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.15 49.64 51.62 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.983 -0.553 . . . . 0.68 113.659 174.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.482 ' HD1' HG13 ' A' ' 38' ' ' ILE . 21.2 m-85 -118.15 114.91 23.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 117.084 0.442 . . . . 1.09 110.972 176.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.91 153.43 40.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.305 -0.861 . . . . 1.93 110.846 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.6 p -53.64 -43.88 69.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.755 -0.657 . . . . 0.92 111.611 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.08 -46.26 85.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.393 -0.367 . . . . 1.8 110.526 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.93 -28.18 69.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.405 0.621 . . . . 1.21 110.825 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.6 tp -70.3 -43.96 69.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.633 -0.712 . . . . 1.38 110.615 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.4 ptm -72.12 -27.1 62.41 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.711 0.291 . . . . 1.79 110.438 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 19.0 mm-40 -59.77 -50.45 73.78 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.561 -0.533 . . . . 2.2 109.561 172.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.492 HG22 HD11 ' A' ' 14' ' ' LEU . 22.8 m -61.35 -41.54 97.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.501 -0.772 . . . . 1.25 110.745 178.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.81 -49.63 72.69 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.972 -0.558 . . . . 1.17 111.963 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.86 -31.54 70.99 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.402 0.62 . . . . 1.2 110.73 -175.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.579 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 19.2 mmt180 -65.3 -38.96 91.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.231 -0.895 . . . . 3.4 110.417 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.606 HD13 HD12 ' A' ' 5' ' ' LEU . 65.6 mt -81.21 -35.55 31.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.835 -0.62 . . . . 1.25 111.283 -177.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -58.9 -43.12 90.97 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.501 -0.555 . . . . 0.51 109.501 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.2 m -65.77 -39.81 91.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.723 -0.671 . . . . 1.97 111.33 176.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -68.66 -54.34 16.9 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.508 0.558 . . . . 2.83 112.508 -176.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.769 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 29.8 m-85 -96.89 -1.2 46.39 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.267 -0.424 . . . . 1.36 111.23 -170.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.12 33.43 65.1 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.793 -0.718 . . . . 0.58 112.374 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.0 m -106.45 -173.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.064 0.459 . . . . 1.2 111.09 -177.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.4 m -152.44 122.95 7.28 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 109.313 -0.625 . . . . 2.17 109.313 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 63.7 mt -93.75 116.47 66.49 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 116.503 -0.317 . . . . 1.21 110.153 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -57.79 136.13 73.5 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.064 2.509 . . . . 0.96 112.386 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -59.37 -39.35 83.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.82 -0.627 . . . . 1.99 111.682 -175.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -77.15 -39.47 49.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.288 -0.415 . . . . 2.44 111.332 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.1 t -73.13 -26.3 22.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.06 0.457 . . . . 1.77 110.448 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.92 99.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.294 0.568 . . . . 1.23 110.823 176.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.66 32.93 4.07 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.485 -0.779 . . . . 0.77 113.267 -175.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -145.26 11.69 1.34 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 117.006 0.403 . . . . 4.26 111.337 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.4 m -97.98 175.42 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.577 -0.283 . . . . 1.54 110.311 176.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.47 -51.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.008 0.432 . . . . 1.75 111.287 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.5 p -100.6 142.63 24.99 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.161 -0.472 . . . . 1.12 111.72 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.603 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 79.6 Cg_exo -51.11 -32.16 38.53 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.777 2.985 . . . . 0.42 113.203 176.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -53.25 -55.05 27.63 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 123.358 0.411 . . . . 4.31 111.05 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.36 -43.55 98.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.619 -0.718 . . . . 2.43 109.679 -177.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.73 -46.55 88.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.523 -0.762 . . . . 1.84 110.137 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.9 tp -60.07 -54.17 49.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.465 -0.788 . . . . 1.74 111.323 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -70.01 -27.89 65.05 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.911 -0.586 . . . . 1.43 111.275 -175.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.14 -55.63 20.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.483 -0.326 . . . . 2.22 111.03 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 61.6 mt -62.08 -46.45 96.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 1.15 110.367 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -66.85 -20.79 65.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 1.67 111.032 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.11 -33.6 65.06 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.154 -0.546 . . . . 0.54 111.899 177.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.92 -32.11 63.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.339 0.59 . . . . 1.22 110.27 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 83.9 mt -86.01 -10.66 54.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.659 -0.7 . . . . 1.53 111.08 -178.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 120.947 0.403 . . . . 1.34 111.548 -178.02 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 C--O 1.234 0.237 0 CA-C-O 121.047 0.451 . . . . 1.48 110.983 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.56 ' HG ' ' HG ' ' A' ' 75' ' ' LEU . 11.2 tp -83.82 121.22 27.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.361 -0.836 . . . . 1.62 108.899 172.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.52 172.93 6.54 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.465 0.543 . . . . 1.75 112.465 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -55.75 -56.79 16.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.371 -0.831 . . . . 1.8 111.967 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -60.95 -38.63 86.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 2.19 111.357 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.04 -45.32 95.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.987 -0.551 . . . . 1.12 110.927 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.2 tp -63.87 -46.25 85.77 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.968 -0.382 . . . . 1.77 109.968 176.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -55.31 -33.76 63.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.077 -0.511 . . . . 2.74 111.711 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.597 ' NH2' HG23 ' A' ' 15' ' ' VAL . 4.2 mmp_? -71.19 -33.8 70.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.452 -0.155 . . . . 4.33 111.192 177.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.76 91.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.703 0.287 . . . . 1.24 111.451 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.799 ' HB3' ' HH ' ' A' ' 40' ' ' TYR . 3.0 mm? -67.25 -24.96 65.86 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.493 0.663 . . . . 1.47 110.482 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.597 HG23 ' NH2' ' A' ' 12' ' ' ARG . 59.6 t -84.97 -23.56 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.601 -0.727 . . . . 1.36 110.362 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.467 ' OE1' ' HD2' ' A' ' 51' ' ' ARG . 41.8 mt-10 -74.8 -34.84 62.47 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.982 -0.554 . . . . 1.49 110.975 175.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.8 p -82.53 -61.73 1.81 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.865 0.364 . . . . 1.61 111.299 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 CA-C-O 121.096 0.474 . . . . 1.7 110.599 -178.848 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 26' ' ' LEU . 6.7 mp . . . . . 0 C--O 1.237 0.415 0 CA-C-O 120.913 0.387 . . . . 2.2 110.873 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.0 m -81.69 85.26 6.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.032 0.444 . . . . 2.49 110.523 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.47 -118.07 1.29 Allowed Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.648 -0.787 . . . . 1.85 111.93 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -104.93 150.82 24.57 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.596 -0.52 . . . . 2.77 109.596 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -169.66 -24.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.701 0.286 . . . . 1.19 111.123 -174.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.808 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 91.7 mt -56.85 -22.45 36.94 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.047 0.388 . . . . 1.4 112.047 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -92.43 -13.39 30.09 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.247 0.546 . . . . 2.29 110.442 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.8 mt -86.12 127.45 34.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.748 -0.66 . . . . 1.78 109.999 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.9 mtt85 -67.6 152.3 45.87 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.358 -0.383 . . . . 3.44 110.101 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -54.07 -32.89 56.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.417 -0.356 . . . . 0.68 111.147 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.35 -31.12 68.91 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.038 -0.528 . . . . 2.6 111.479 175.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -86.28 -33.74 20.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.337 -0.392 . . . . 2.03 111.187 -174.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.48 HG13 ' HD1' ' A' ' 40' ' ' TYR . 28.9 pt -88.46 13.94 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.953 0.406 . . . . 1.29 111.577 -177.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.56 38.12 61.83 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.734 -0.666 . . . . 0.68 114.275 171.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.799 ' HH ' ' HB3' ' A' ' 14' ' ' LEU . 34.9 m-85 -106.6 119.65 39.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.496 0.648 . . . . 1.09 110.941 175.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -77.85 -62.48 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.836 -1.074 . . . . 1.93 111.64 -173.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.5 p 174.1 -49.49 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.743 -0.836 . . . . 0.92 108.743 -173.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.477 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -64.78 -46.39 82.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.128 -0.942 . . . . 1.8 109.295 178.319 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.66 -26.02 68.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 1.21 110.68 177.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.2 tp -75.37 -46.16 34.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.985 -0.552 . . . . 1.38 110.694 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.0 ptm -68.44 -31.64 71.1 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.64 -0.255 . . . . 1.79 111.333 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 11.2 mm-40 -64.25 -38.61 91.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.077 0.465 . . . . 2.2 110.449 176.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.3 m -63.35 -33.9 76.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.737 -0.665 . . . . 1.25 111.27 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.73 -44.81 77.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 1.17 111.488 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.18 -32.54 72.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.055 -0.521 . . . . 1.2 110.79 -176.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.467 ' HD2' ' OE1' ' A' ' 16' ' ' GLU . 10.9 mmt180 -66.92 -33.47 75.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.422 -0.808 . . . . 3.4 110.854 -178.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.6 mt -83.48 -48.06 10.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.149 -0.478 . . . . 1.25 110.619 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.535 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 50.3 mt-10 -58.76 -52.16 66.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.774 -0.648 . . . . 0.51 111.374 -176.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.9 t -67.42 -21.64 65.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.291 -0.413 . . . . 1.97 111.321 -176.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -82.89 -48.22 10.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.539 -0.301 . . . . 2.83 111.265 -176.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.403 ' HH ' HD12 ' A' ' 5' ' ' LEU . 88.4 m-85 -99.07 2.93 46.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.494 -0.321 . . . . 1.36 111.494 -174.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.13 34.0 69.77 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.882 -0.675 . . . . 0.58 112.401 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.535 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 28.2 m -110.67 -170.57 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.853 0.358 . . . . 1.2 111.202 -177.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.436 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 19.4 p -157.78 133.88 9.42 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.011 -0.737 . . . . 2.17 109.011 174.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.421 HG22 ' HB3' ' A' ' 65' ' ' ALA . 56.1 mt -95.9 117.37 66.41 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 116.398 -0.365 . . . . 1.21 110.863 -175.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.48 134.77 42.9 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.629 2.219 . . . . 0.96 111.754 178.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -62.24 -22.48 66.01 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.081 -0.509 . . . . 1.99 112.263 -174.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -78.01 -50.84 11.33 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.192 0.52 . . . . 2.44 110.251 175.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.5 t -70.75 -27.07 29.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.64 -0.709 . . . . 1.77 110.852 -174.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.421 ' HB3' HG22 ' A' ' 60' ' ' ILE . . . -61.87 -34.4 75.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.124 0.488 . . . . 1.23 111.331 177.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.86 10.49 74.75 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.816 -0.707 . . . . 0.77 112.62 -177.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -91.94 -25.4 18.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.722 0.296 . . . . 4.26 110.656 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.505 HG21 HD23 ' A' ' 74' ' ' LEU . 34.2 m -95.53 156.85 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.846 0.355 . . . . 1.54 111.757 -177.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -135.38 -12.1 2.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.925 -0.58 . . . . 1.75 110.432 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.1 p -125.66 140.5 36.67 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.152 -0.476 . . . . 1.12 110.872 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.489 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 80.2 Cg_exo -51.59 -44.21 45.58 Favored 'Trans proline' 0 N--CA 1.476 0.453 0 C-N-CA 123.948 3.098 . . . . 0.42 114.299 -176.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.808 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 44.8 ttm105 -52.94 -45.99 67.93 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.855 0.359 . . . . 4.31 111.723 -176.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.56 -38.66 87.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.893 -0.594 . . . . 2.43 110.269 -176.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.505 HD23 HG21 ' A' ' 68' ' ' VAL . 2.9 tm? -65.15 -45.15 86.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.841 -0.618 . . . . 1.84 109.988 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.56 ' HG ' ' HG ' ' A' ' 5' ' ' LEU . 5.5 tt -58.75 -49.75 76.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.71 -0.677 . . . . 1.74 110.518 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.53 -34.26 77.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.068 -0.515 . . . . 1.43 110.889 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.9 tp -60.19 -53.4 58.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.728 -0.669 . . . . 2.22 111.519 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.2 mt -64.38 -37.57 80.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.921 0.391 . . . . 1.15 110.989 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -66.16 -26.14 67.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 1.67 111.234 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -58.66 -38.88 92.63 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.527 -0.844 . . . . 0.54 111.846 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.05 -27.77 61.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 1.22 111.151 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.6 mt -81.64 -36.78 28.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.292 -0.413 . . . . 1.53 110.884 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 1.34 111.68 -176.942 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.4 mt . . . . . 0 C--O 1.236 0.354 0 N-CA-C 109.708 -0.479 . . . . 1.48 109.708 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.694 HD22 ' HB2' ' A' ' 10' ' ' LEU . 5.4 tt -82.85 121.36 26.84 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.046 -0.724 . . . . 1.62 109.046 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 50.5 p -111.5 167.91 9.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.307 -0.406 . . . . 1.75 110.463 -178.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 p -59.65 -34.27 72.61 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.083 -0.247 . . . . 1.8 111.28 175.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -72.09 -44.09 63.79 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 121.16 -0.216 . . . . 2.19 110.646 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.86 -49.72 76.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.388 -0.369 . . . . 1.12 110.677 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.694 ' HB2' HD22 ' A' ' 5' ' ' LEU . 50.0 tp -60.75 -46.06 91.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.955 -0.566 . . . . 1.77 110.204 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.45 ' O ' HG23 ' A' ' 15' ' ' VAL . 46.0 ttp180 -54.0 -48.58 70.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.858 -0.61 . . . . 2.74 110.89 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -68.51 -37.03 79.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.33 -0.396 . . . . 4.33 110.939 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.26 -41.54 89.05 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.317 -0.401 . . . . 1.24 111.183 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.442 ' HG ' HG21 ' A' ' 48' ' ' THR . 2.5 mt -67.86 -36.11 79.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.855 -0.611 . . . . 1.47 111.024 178.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 11' ' ' ARG . 61.3 t -72.68 -37.0 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 1.36 110.789 178.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.27 -33.35 73.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 1.49 110.669 176.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 m -82.8 -54.46 5.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.848 -0.614 . . . . 1.61 110.664 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.534 0 CA-C-N 115.896 -0.593 . . . . 1.7 110.367 -179.906 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.243 -0.651 . . . . 2.2 109.243 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.4 p -54.11 -67.04 0.29 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.299 -0.864 . . . . 2.49 112.691 -173.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.99 -108.26 1.45 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.516 -0.85 . . . . 1.85 112.683 -177.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -106.37 148.54 27.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.236 0.541 . . . . 2.77 111.079 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -145.96 -4.67 0.63 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.356 -0.838 . . . . 1.19 110.281 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.629 ' O ' ' HB ' ' A' ' 70' ' ' THR . 37.0 mt -59.28 -24.22 63.06 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.454 0.538 . . . . 1.4 112.454 -174.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -92.53 -16.0 26.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.087 0.47 . . . . 2.29 111.346 -175.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -88.45 134.69 33.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 1.78 110.894 -177.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -71.54 143.33 49.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.529 -0.305 . . . . 3.44 110.703 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -53.69 -39.44 65.14 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.29 -0.414 . . . . 0.68 111.258 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -56.47 -33.13 65.65 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.759 -0.655 . . . . 2.6 111.477 -178.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.99 -34.66 19.18 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.341 0.497 . . . . 2.03 112.341 -174.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.478 HG13 ' HD2' ' A' ' 40' ' ' TYR . 14.9 pt -87.25 24.54 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.705 0.631 . . . . 1.29 112.705 -173.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.28 35.88 83.58 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.784 -0.644 . . . . 0.68 114.198 170.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.478 ' HD2' HG13 ' A' ' 38' ' ' ILE . 53.4 m-85 -111.8 110.18 20.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.308 0.575 . . . . 1.09 110.859 174.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -78.35 169.31 18.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.072 -0.967 . . . . 1.93 110.069 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -53.26 44.05 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 112.54 0.57 . . . . 0.92 112.54 -175.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.447 ' O ' ' HG3' ' A' ' 46' ' ' MET . 38.7 tp -61.95 -46.12 90.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.466 -0.334 . . . . 1.8 110.556 -178.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.61 -36.35 80.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.38 -0.373 . . . . 1.21 111.075 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.9 tp -67.43 -45.37 76.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.183 -0.462 . . . . 1.38 110.915 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.447 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 4.8 ppp? -75.43 -27.62 59.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.636 0.255 . . . . 1.79 110.858 -178.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -62.17 -41.56 98.44 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.162 0.506 . . . . 2.2 110.042 172.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.442 HG21 ' HG ' ' A' ' 14' ' ' LEU . 39.9 m -60.54 -41.85 95.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.596 -0.729 . . . . 1.25 110.32 177.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.481 ' HB1' HD12 ' A' ' 60' ' ' ILE . . . -56.58 -42.33 78.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.972 -0.558 . . . . 1.17 110.997 177.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.11 -38.46 91.25 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.141 -0.481 . . . . 1.2 110.382 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -61.55 -36.42 80.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.698 -0.683 . . . . 3.4 110.516 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.8 mt -72.12 -51.02 23.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.99 -0.55 . . . . 1.25 110.815 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.568 ' OE2' ' HA ' ' A' ' 59' ' ' SER . 43.0 mt-10 -58.56 -42.61 88.34 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.286 -0.416 . . . . 0.51 110.605 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.5 t -65.49 -21.49 66.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.177 -0.465 . . . . 1.97 112.038 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -91.11 -47.43 7.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.681 0.277 . . . . 2.83 111.376 -176.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.479 ' OH ' ' HA ' ' A' ' 5' ' ' LEU . 75.6 m-85 -95.34 -20.2 19.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.547 -0.297 . . . . 1.36 111.733 -173.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.6 32.79 26.63 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.718 -0.754 . . . . 0.58 111.812 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 31.0 m -101.54 -173.7 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.798 0.333 . . . . 1.2 111.334 -176.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.568 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 8.5 p -148.51 124.93 10.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.645 -0.707 . . . . 2.17 109.917 176.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.481 HD12 ' HB1' ' A' ' 49' ' ' ALA . 49.6 mt -94.33 120.73 64.93 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.661 -0.245 . . . . 1.21 110.702 -177.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 43.8 Cg_exo -58.56 139.76 91.99 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.195 2.597 . . . . 0.96 113.123 -178.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -56.53 -40.55 75.28 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.685 -0.689 . . . . 1.99 111.66 -177.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -79.55 -47.19 15.95 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.385 -0.825 . . . . 2.44 111.921 -171.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.8 t -73.34 -28.34 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.841 0.353 . . . . 1.77 111.205 -175.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.426 ' HB1' HG21 ' A' ' 60' ' ' ILE . . . -58.82 -42.39 89.08 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.41 0.522 . . . . 1.23 112.41 -175.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.75 9.82 74.99 Favored Glycine 0 C--N 1.319 -0.365 0 C-N-CA 120.789 -0.719 . . . . 0.77 113.085 -175.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -106.28 1.32 25.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.677 0.275 . . . . 4.26 111.55 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.3 m -94.15 175.36 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.694 -0.23 . . . . 1.54 111.007 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -142.7 -42.5 0.32 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.004 0.431 . . . . 1.75 111.777 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.629 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 61.2 p -104.82 143.82 27.49 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.06 -0.518 . . . . 1.12 111.196 -175.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.497 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 74.9 Cg_exo -52.97 -30.88 50.51 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.289 2.659 . . . . 0.42 112.818 176.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.55 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -56.2 -46.49 79.42 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.426 -0.352 . . . . 4.31 110.168 178.506 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -64.31 -41.94 96.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.03 -0.532 . . . . 2.43 110.943 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 74' ' ' LEU . 0.4 OUTLIER -61.18 -48.14 82.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.269 0.557 . . . . 1.84 109.626 179.651 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.492 ' HG ' HD21 ' A' ' 5' ' ' LEU . 10.3 tt -58.64 -48.3 81.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.402 -0.817 . . . . 1.74 110.525 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -65.19 -37.9 88.79 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.687 -0.688 . . . . 1.43 111.577 -177.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.32 -52.03 66.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.739 0.304 . . . . 2.22 111.316 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.2 mt -68.21 -36.06 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.859 0.362 . . . . 1.15 110.503 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -64.61 -40.5 95.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.458 . . . . 1.67 110.948 177.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.94 -39.35 97.43 Favored Glycine 0 CA--C 1.516 0.124 0 C-N-CA 121.146 -0.55 . . . . 0.54 112.78 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.89 -26.6 63.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.903 0.382 . . . . 1.22 111.239 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.5 mt -86.13 -29.28 23.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.272 -0.422 . . . . 1.53 111.021 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.203 -0.453 . . . . 1.34 111.607 -176.679 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.9 mt . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.396 -0.594 . . . . 1.48 109.396 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.583 ' HA ' ' CZ ' ' A' ' 56' ' ' TYR . 6.1 tt -79.71 123.22 27.47 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.186 -0.672 . . . . 1.62 109.186 -177.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.41 148.32 22.9 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.924 -0.58 . . . . 1.75 111.452 -177.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.9 p -58.29 -36.95 74.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.599 -0.728 . . . . 1.8 110.783 177.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.33 -46.7 88.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.453 -0.794 . . . . 2.19 110.718 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.08 -44.8 87.72 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.195 -0.457 . . . . 1.12 110.983 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.412 ' O ' HD23 ' A' ' 14' ' ' LEU . 37.8 tp -59.63 -42.66 93.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 1.77 110.345 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -54.04 -41.59 68.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.032 -0.531 . . . . 2.74 110.233 176.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -72.98 -40.32 65.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.074 -0.512 . . . . 4.33 111.296 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.66 -38.43 78.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 1.24 111.604 -173.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.685 ' HB3' ' HH ' ' A' ' 40' ' ' TYR . 4.6 mm? -62.58 -48.21 80.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.853 0.359 . . . . 1.47 110.277 177.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.7 t -67.57 -42.83 87.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 1.36 110.79 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.51 -36.98 74.66 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.191 -0.459 . . . . 1.49 111.337 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.536 ' OG ' ' HA ' ' A' ' 48' ' ' THR . 16.3 m -80.3 -33.76 37.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.443 -0.344 . . . . 1.61 111.103 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 120.967 0.413 . . . . 1.7 110.578 177.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.3 mp . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 109.278 -0.638 . . . . 2.2 109.278 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.8 m -71.31 92.82 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.333 -0.849 . . . . 2.49 111.719 -174.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.6 -72.44 2.68 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.096 -0.573 . . . . 1.85 112.122 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -103.79 156.19 18.01 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.318 -0.253 . . . . 2.77 110.318 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -178.8 -25.13 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.07 -0.514 . . . . 1.19 110.473 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.716 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 87.2 mt -54.47 -23.64 17.03 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.831 -0.622 . . . . 1.4 112.116 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -89.81 -18.06 26.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.855 -0.612 . . . . 2.29 111.155 -170.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.9 mt -89.99 152.89 20.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.383 -0.371 . . . . 1.78 110.619 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -69.59 152.41 44.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.602 0.239 . . . . 3.44 110.702 175.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -57.55 -41.78 81.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.899 0.381 . . . . 0.68 110.557 173.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -60.74 -23.19 64.76 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.964 -0.562 . . . . 2.6 111.4 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -85.89 -33.25 21.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.094 0.473 . . . . 2.03 109.994 -173.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.492 HG13 ' HD1' ' A' ' 40' ' ' TYR . 13.0 pt -90.31 14.71 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.922 -0.581 . . . . 1.29 111.833 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.46 25.72 56.17 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 114.58 0.592 . . . . 0.68 114.58 171.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.685 ' HH ' ' HB3' ' A' ' 14' ' ' LEU . 85.8 m-85 -111.69 118.84 36.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.586 0.693 . . . . 1.09 110.879 178.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -94.95 -172.49 2.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.535 -0.757 . . . . 1.93 110.811 -175.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 80.5 p -51.17 -61.18 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 123.406 0.682 . . . . 0.92 112.527 -173.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 57.6 tp -59.54 -51.62 69.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.789 -0.641 . . . . 1.8 111.618 -175.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.19 -29.76 70.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 1.21 111.324 -175.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.2 tp -62.26 -51.24 68.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.172 -0.467 . . . . 1.38 111.11 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.4 ptm -70.03 -31.76 69.57 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.932 -0.307 . . . . 1.79 110.989 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 50.7 mt-10 -64.92 -39.5 93.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.89 0.376 . . . . 2.2 110.044 178.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.584 HG22 HD12 ' A' ' 14' ' ' LEU . 32.9 m -62.16 -42.6 99.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.808 -0.633 . . . . 1.25 110.895 176.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.33 -39.13 72.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.032 -0.531 . . . . 1.17 111.909 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.47 -30.39 71.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.186 0.517 . . . . 1.2 110.967 -177.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.746 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -66.79 -36.19 81.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.81 -0.632 . . . . 3.4 110.718 -179.248 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.451 HD21 HD13 ' A' ' 5' ' ' LEU . 86.3 mt -69.79 -44.11 70.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.737 -0.665 . . . . 1.25 110.279 179.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.492 ' HA ' HG22 ' A' ' 58' ' ' VAL . 51.5 mt-10 -58.58 -49.15 78.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.856 -0.611 . . . . 0.51 111.121 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.4 m -62.31 -35.72 79.91 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.404 -0.362 . . . . 1.97 111.633 -176.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -75.58 -44.61 42.28 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.268 -0.424 . . . . 2.83 111.663 -173.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.583 ' CZ ' ' HA ' ' A' ' 5' ' ' LEU . 93.3 m-85 -98.5 -8.98 25.71 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.043 0.386 . . . . 1.36 112.043 -175.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.65 42.98 45.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.674 -0.774 . . . . 0.58 112.074 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.492 HG22 ' HA ' ' A' ' 53' ' ' GLU . 28.9 m -112.36 -174.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.739 0.304 . . . . 1.2 110.883 -178.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.7 m -143.62 117.8 9.54 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.416 -0.587 . . . . 2.17 109.416 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.422 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 69.1 mt -91.96 111.94 52.35 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.939 0.4 . . . . 1.21 110.854 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 17.5 Cg_exo -66.53 125.81 14.48 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.784 2.323 . . . . 0.96 111.671 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -65.2 -7.39 12.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.401 . . . . 1.99 111.403 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -74.98 -55.62 5.58 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.645 -0.502 . . . . 2.44 109.645 172.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.437 ' HA ' ' HD3' ' A' ' 67' ' ' ARG . 4.0 t -76.71 -20.47 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.869 -0.605 . . . . 1.77 110.766 -177.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.84 -28.57 68.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.9 -0.591 . . . . 1.23 110.798 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -97.41 12.79 64.86 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.658 -0.782 . . . . 0.77 112.002 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.437 ' HD3' ' HA ' ' A' ' 64' ' ' VAL . 79.8 mtp180 -107.67 -6.29 16.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.969 0.414 . . . . 4.26 110.776 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.3 m -99.43 167.61 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.289 -0.414 . . . . 1.54 110.935 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -147.87 -37.08 0.2 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.341 0.591 . . . . 1.75 109.454 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.5 p -112.4 148.34 38.97 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.834 -0.621 . . . . 1.12 110.809 177.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.716 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 53.2 Cg_exo -55.53 -29.11 68.03 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.118 2.546 . . . . 0.42 112.001 176.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.408 ' NH2' ' HB2' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -53.08 -47.78 68.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.802 -0.635 . . . . 4.31 110.164 175.877 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -68.67 -45.1 72.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.78 -0.645 . . . . 2.43 110.951 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.439 HD21 ' HA ' ' A' ' 74' ' ' LEU . 1.9 tm? -57.26 -45.12 84.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.878 -0.601 . . . . 1.84 110.113 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.8 tp -57.12 -45.81 83.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.458 -0.792 . . . . 1.74 110.968 177.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.408 ' HB2' ' NH2' ' A' ' 72' ' ' ARG . 7.9 t70 -69.62 -27.04 64.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.249 0.547 . . . . 1.43 110.907 -175.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.429 HD12 HG11 ' A' ' 64' ' ' VAL . 61.7 tp -65.16 -59.4 4.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.798 -0.637 . . . . 2.22 110.895 177.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 50.6 mt -67.87 -45.22 84.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.095 -0.502 . . . . 1.15 110.913 -175.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -61.87 -36.7 82.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.597 -0.274 . . . . 1.67 110.974 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.42 -35.92 91.75 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 121.107 -0.568 . . . . 0.54 112.419 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.31 -45.38 55.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.772 0.32 . . . . 1.22 110.858 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.1 mt -68.43 -28.58 67.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 1.53 111.744 -176.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.408 0 N-CA-C 112.197 0.444 . . . . 1.34 112.197 -177.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 45.0 mt . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.987 0.422 . . . . 1.48 111.227 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.546 ' HG ' ' HH ' ' A' ' 56' ' ' TYR . 1.6 tt -81.13 122.94 27.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.661 -0.699 . . . . 1.62 109.512 -177.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.6 p -104.39 171.06 7.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.691 0.282 . . . . 1.75 111.063 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p -62.41 -36.16 81.48 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.825 -0.17 . . . . 1.8 111.34 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -71.38 -37.33 71.61 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.067 0.461 . . . . 2.19 110.243 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.5 -45.47 88.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.638 -0.71 . . . . 1.12 110.172 174.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.5 tp -68.61 -39.54 80.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.528 -0.76 . . . . 1.77 110.081 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.0 ttp85 -53.41 -51.51 62.36 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.205 -0.452 . . . . 2.74 110.614 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.472 ' HB3' ' OE1' ' A' ' 16' ' ' GLU . 17.3 mtp180 -61.83 -41.78 98.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.869 -0.605 . . . . 4.33 111.344 178.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.19 -38.05 85.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 1.24 112.08 -173.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.48 HD12 HG21 ' A' ' 48' ' ' THR . 4.5 mm? -72.86 -49.27 31.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.662 -0.245 . . . . 1.47 111.009 178.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.02 -52.09 63.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 120.813 0.34 . . . . 1.36 111.651 -176.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.472 ' OE1' ' HB3' ' A' ' 12' ' ' ARG . 44.6 mt-10 -68.17 -23.32 64.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.335 -0.393 . . . . 1.49 111.994 -177.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -83.56 -29.51 27.77 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.957 -0.297 . . . . 1.61 110.528 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.358 . . . . 1.7 110.86 179.923 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.513 -0.551 . . . . 2.2 109.513 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 t -95.31 -25.92 16.13 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.729 -0.669 . . . . 2.49 109.923 -177.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.02 -166.43 28.37 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.626 -0.797 . . . . 1.85 112.112 175.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -78.66 87.14 4.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.178 0.513 . . . . 2.77 109.898 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -92.55 2.36 56.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.287 -0.415 . . . . 1.19 111.883 -173.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.83 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 23.8 mt -56.4 -23.97 41.66 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.878 0.695 . . . . 1.4 112.878 -177.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -93.0 -11.35 33.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.936 0.398 . . . . 2.29 111.467 -177.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.8 mt -87.33 113.01 22.67 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.049 -0.523 . . . . 1.78 110.213 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.49 ' HD2' ' OD2' ' A' ' 69' ' ' ASP . 23.1 mtm180 -67.65 147.92 52.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.405 -0.361 . . . . 3.44 110.673 -175.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -53.07 -43.31 66.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.68 110.772 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -54.26 -37.52 64.77 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.768 -0.651 . . . . 2.6 112.08 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -85.0 -27.7 26.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.644 -0.253 . . . . 2.03 111.106 -173.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.483 HG13 ' HD2' ' A' ' 40' ' ' TYR . 17.3 pt -93.97 18.64 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.884 0.373 . . . . 1.29 111.849 -178.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.64 -0.28 89.48 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 121.132 -0.556 . . . . 0.68 113.848 171.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.483 ' HD2' HG13 ' A' ' 38' ' ' ILE . 56.8 m-85 -89.35 98.71 11.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.441 -0.447 . . . . 1.09 110.839 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -83.78 178.65 7.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.496 -0.774 . . . . 1.93 110.093 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.7 p -51.16 -45.52 61.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.611 -0.722 . . . . 0.92 111.841 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.586 ' O ' ' HG3' ' A' ' 46' ' ' MET . 51.1 tp -66.73 -48.5 68.97 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 116.499 -0.319 . . . . 1.8 110.694 -177.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.27 77.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.332 0.587 . . . . 1.21 110.702 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.8 tp -68.9 -46.9 67.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.892 -0.594 . . . . 1.38 111.118 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.586 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 4.4 ppp? -66.24 -31.69 72.65 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.628 -0.26 . . . . 1.79 110.918 -177.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -62.23 -46.36 89.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.621 0.724 . . . . 2.2 110.032 174.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.48 HG21 HD12 ' A' ' 14' ' ' LEU . 22.6 m -66.07 -19.7 65.93 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.133 -0.939 . . . . 1.25 112.038 -178.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.42 -41.54 80.59 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.067 0.461 . . . . 1.17 111.344 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.49 -29.92 70.28 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.637 -0.711 . . . . 1.2 110.817 -177.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.58 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 39.4 mmt180 -62.4 -39.23 92.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.201 -0.908 . . . . 3.4 110.844 -176.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.48 HD23 HD13 ' A' ' 5' ' ' LEU . 76.8 mt -83.24 -46.26 12.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.068 -0.515 . . . . 1.25 111.305 -176.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.458 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 55.4 mt-10 -57.41 -53.3 59.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.337 -0.392 . . . . 0.51 111.622 -177.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.5 t -64.53 -35.48 81.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.778 0.323 . . . . 1.97 111.146 -178.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.58 ' HB2' ' O ' ' A' ' 51' ' ' ARG . 50.6 ttt180 -64.05 -51.53 63.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 2.83 111.431 -173.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.546 ' HH ' ' HG ' ' A' ' 5' ' ' LEU . 58.5 m-85 -98.18 -14.94 20.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.532 -0.304 . . . . 1.36 111.641 -174.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.65 34.82 10.99 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.81 -0.71 . . . . 0.58 111.927 -178.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 32.9 m -106.5 -169.42 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.672 0.272 . . . . 1.2 110.7 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.8 t -157.35 135.71 11.22 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.124 -0.695 . . . . 2.17 109.124 172.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 43.7 mt -96.34 122.26 58.12 Favored Pre-proline 0 C--N 1.317 -0.817 0 CA-C-N 116.361 -0.382 . . . . 1.21 110.358 -177.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.42 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 76.7 Cg_exo -51.55 133.08 42.84 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.868 2.379 . . . . 0.96 112.036 178.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.15 -50.27 69.72 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.834 -0.621 . . . . 1.99 111.859 -171.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -79.01 -38.08 37.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.212 -0.449 . . . . 2.44 111.427 -174.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.42 ' HB ' ' HB2' ' A' ' 61' ' ' PRO . 42.7 t -72.36 -22.87 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.081 0.467 . . . . 1.77 111.099 -176.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.27 -29.47 69.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.137 -0.483 . . . . 1.23 111.479 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -105.01 21.68 35.29 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 121.054 -0.593 . . . . 0.77 112.049 -177.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.552 ' HA ' ' HE ' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -99.95 -12.73 19.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.095 0.474 . . . . 4.26 111.003 -179.513 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.557 HG22 HD21 ' A' ' 74' ' ' LEU . 35.2 m -89.7 172.88 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.387 -0.369 . . . . 1.54 111.214 -176.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.49 ' OD2' ' HD2' ' A' ' 34' ' ' ARG . 19.2 t70 -143.84 -45.32 0.27 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.958 -0.565 . . . . 1.75 110.322 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.9 p -104.12 150.49 38.39 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.021 -0.536 . . . . 1.12 111.399 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.459 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 50.8 Cg_exo -56.05 -33.89 90.98 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.183 2.588 . . . . 0.42 112.748 178.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.83 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 45.4 ttm180 -56.36 -46.79 79.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.341 -0.39 . . . . 4.31 110.776 177.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -65.04 -41.87 94.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.094 -0.503 . . . . 2.43 110.541 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.557 HD21 HG22 ' A' ' 68' ' ' VAL . 2.5 tm? -60.22 -50.52 73.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.832 -0.622 . . . . 1.84 109.96 178.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 46.3 tp -59.52 -53.09 62.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.96 -0.564 . . . . 1.74 110.919 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -62.19 -34.82 77.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 1.43 111.359 -174.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -63.7 -54.42 35.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.813 0.34 . . . . 2.22 110.249 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 66.1 mt -67.68 -39.26 81.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.038 0.447 . . . . 1.15 110.845 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -63.13 -43.6 97.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.103 -0.499 . . . . 1.67 110.018 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.4 -32.79 80.2 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.654 -0.703 . . . . 0.54 112.492 178.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.28 -38.37 84.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.956 0.408 . . . . 1.22 110.031 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.408 HD21 ' CG1' ' A' ' 58' ' ' VAL . 91.1 mt -70.63 -34.26 71.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.487 -0.778 . . . . 1.53 110.6 178.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.015 -0.539 . . . . 1.34 111.57 -179.524 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 CA--C 1.518 -0.286 0 CA-C-O 120.855 0.36 . . . . 1.48 110.774 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.617 ' HG ' ' HG ' ' A' ' 75' ' ' LEU . 15.5 tp -83.93 121.04 26.83 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.631 -0.877 . . . . 1.62 108.631 173.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.2 p -114.49 -179.41 3.62 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.471 -0.492 . . . . 1.75 111.361 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.538 HG22 HD12 ' A' ' 31' ' ' LEU . 2.9 p -56.82 -57.01 14.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.533 -0.758 . . . . 1.8 111.267 177.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.446 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 20.3 m-20 -66.32 -27.14 67.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.926 -0.579 . . . . 2.19 111.631 -177.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -64.61 -53.22 51.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.774 0.321 . . . . 1.12 110.569 174.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.6 tp -61.26 -39.18 89.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.65 0.738 . . . . 1.77 109.338 176.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.458 HH21 ' HA ' ' A' ' 27' ' ' SER . 68.5 ttt180 -53.33 -34.71 58.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.567 -1.197 . . . . 2.74 110.969 175.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.784 ' HA ' ' HE ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -82.01 -42.86 18.75 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.543 -0.299 . . . . 4.33 111.597 177.019 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.66 91.44 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.6 0.593 . . . . 1.24 112.6 -171.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.442 HD11 ' CE1' ' A' ' 40' ' ' TYR . 4.2 mm? -63.07 -38.39 91.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.979 0.418 . . . . 1.47 110.266 177.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.2 t -68.59 -35.57 70.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.885 -0.598 . . . . 1.36 110.74 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.45 ' CD ' HH21 ' A' ' 51' ' ' ARG . 48.0 mt-10 -57.64 -43.02 84.55 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.998 0.428 . . . . 1.49 110.813 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.9 m -82.32 -30.18 30.63 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.917 -0.583 . . . . 1.61 111.548 -176.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.384 0 N-CA-C 111.85 0.315 . . . . 1.7 111.85 -175.908 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 N--CA 1.446 -0.645 0 N-CA-C 108.839 -0.8 . . . . 2.2 108.839 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.458 ' HA ' HH21 ' A' ' 11' ' ' ARG . 7.7 t -124.72 -48.06 1.8 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.51 -0.768 . . . . 2.49 110.24 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.78 -141.45 5.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 1.85 112.633 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -84.15 87.08 7.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.543 0.687 . . . . 2.77 111.038 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -92.34 -24.87 18.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.583 -0.735 . . . . 1.19 111.616 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.538 HD12 HG22 ' A' ' 7' ' ' THR . 62.5 mt -56.75 -28.19 60.72 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.529 0.566 . . . . 1.4 112.529 -178.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -94.13 -5.62 46.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.104 0.478 . . . . 2.29 110.691 -174.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.5 mt -91.22 127.87 36.82 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.815 -0.439 . . . . 1.78 109.815 177.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.47 HH11 ' HD2' ' A' ' 34' ' ' ARG . 34.7 mtm105 -69.95 153.86 42.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.801 -0.181 . . . . 3.44 110.836 -174.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -54.28 -52.26 61.99 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.391 0.515 . . . . 0.68 112.391 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -62.7 -21.29 65.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.001 0.429 . . . . 2.6 111.216 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.409 ' HB3' ' O ' ' A' ' 34' ' ' ARG . 9.6 t70 -82.19 -34.68 28.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.058 -0.519 . . . . 2.03 110.337 -176.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.453 HG13 ' HD2' ' A' ' 40' ' ' TYR . 7.3 pt -89.07 5.97 4.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.273 -0.422 . . . . 1.29 111.312 177.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.17 44.98 42.38 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.953 -0.567 . . . . 0.68 113.426 174.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.453 ' HD2' HG13 ' A' ' 38' ' ' ILE . 24.6 m-85 -111.43 120.45 42.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.124 0.462 . . . . 1.09 110.968 175.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -76.42 162.86 27.5 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.426 -0.806 . . . . 1.93 111.094 -177.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.4 p -50.98 -50.57 58.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.466 -0.788 . . . . 0.92 110.621 174.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.628 HD13 ' HE1' ' A' ' 46' ' ' MET . 56.3 tp -54.37 -53.38 54.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.003 -0.998 . . . . 1.8 111.175 179.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.26 -35.91 81.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.341 -0.39 . . . . 1.21 111.283 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.2 tp -69.01 -39.65 79.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.059 -0.519 . . . . 1.38 110.836 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.628 ' HE1' HD13 ' A' ' 43' ' ' LEU . 11.5 ptt? -69.81 -34.84 74.24 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.795 0.331 . . . . 1.79 110.295 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 5.6 mm-40 -64.06 -40.93 97.36 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.913 0.387 . . . . 2.2 110.032 176.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.1 m -61.81 -43.69 98.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.671 -0.695 . . . . 1.25 110.599 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.582 ' HB3' HD11 ' A' ' 60' ' ' ILE . . . -56.88 -43.71 81.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.97 -0.559 . . . . 1.17 111.062 177.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.99 -36.12 80.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.988 -0.551 . . . . 1.2 110.43 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 13.6 mmm180 -59.09 -46.78 87.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.573 -0.739 . . . . 3.4 109.73 176.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.0 mt -65.1 -46.07 82.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.827 -0.624 . . . . 1.25 111.231 -178.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.509 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 51.8 mt-10 -55.28 -60.44 3.4 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.23 -0.441 . . . . 0.51 111.627 -177.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.7 t -68.13 -21.79 64.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.404 -0.362 . . . . 1.97 111.638 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -77.67 -47.13 19.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.977 0.418 . . . . 2.83 111.234 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.415 ' HH ' HD12 ' A' ' 5' ' ' LEU . 91.4 m-85 -94.97 -15.32 23.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.274 -0.421 . . . . 1.36 111.405 -175.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.44 47.51 5.4 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.613 -0.803 . . . . 0.58 111.512 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.509 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 31.8 m -128.58 -169.24 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.496 -0.352 . . . . 1.2 110.677 -177.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.9 t -158.93 135.61 9.44 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.137 -0.69 . . . . 2.17 109.137 173.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.582 HD11 ' HB3' ' A' ' 49' ' ' ALA . 50.6 mt -96.14 124.47 51.59 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 116.32 -0.4 . . . . 1.21 110.127 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 24.2 Cg_exo -63.36 145.35 92.61 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.873 2.382 . . . . 0.96 112.417 -177.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.53 -40.32 78.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.31 -0.859 . . . . 1.99 111.739 -175.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -84.36 -45.26 12.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.256 -0.429 . . . . 2.44 111.501 -175.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.2 t -70.7 -13.41 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 1.77 111.061 -173.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.92 -36.23 80.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.559 0.695 . . . . 1.23 111.039 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.61 49.02 2.07 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.671 -0.695 . . . . 0.77 112.275 -177.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -134.18 14.98 3.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.928 0.394 . . . . 4.26 110.801 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.6 m -137.59 151.38 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 1.54 110.163 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -136.08 -5.17 2.13 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.081 -0.248 . . . . 1.75 111.219 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 64.2 p -126.58 147.76 61.85 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.455 -0.339 . . . . 1.12 110.68 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.406 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 50.8 Cg_exo -56.41 -34.36 94.29 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.276 2.651 . . . . 0.42 112.273 177.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.41 -45.45 72.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.631 -0.713 . . . . 4.31 110.443 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -65.89 -48.58 71.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.126 -0.488 . . . . 2.43 110.857 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.94 -52.04 66.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.675 -0.693 . . . . 1.84 110.239 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.617 ' HG ' ' HG ' ' A' ' 5' ' ' LEU . 3.7 tt -59.55 -44.09 93.36 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.724 -0.671 . . . . 1.74 110.767 -178.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -65.45 -44.54 86.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.959 -0.564 . . . . 1.43 111.751 -177.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.6 tp -61.41 -47.4 85.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.894 -0.594 . . . . 2.22 111.916 -173.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.6 mt -69.57 -28.32 37.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.798 0.333 . . . . 1.15 111.019 -177.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -68.13 -36.72 80.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.373 . . . . 1.67 110.998 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -59.69 -38.4 93.76 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.107 -0.568 . . . . 0.54 112.127 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.44 -40.48 64.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.021 0.438 . . . . 1.22 111.313 -178.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.33 -35.6 80.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.195 -0.457 . . . . 1.53 110.985 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.987 -0.551 . . . . 1.34 112.057 -177.901 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.1 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.753 0.311 . . . . 1.48 110.42 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.595 HD23 ' HB2' ' A' ' 10' ' ' LEU . 7.6 tt -78.05 123.49 26.91 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.205 -0.665 . . . . 1.62 109.205 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.4 p -100.08 164.87 11.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.198 -0.455 . . . . 1.75 111.409 -175.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.473 HG21 HD12 ' A' ' 31' ' ' LEU . 6.6 p -56.31 -49.26 74.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.718 -0.673 . . . . 1.8 110.947 175.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.497 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 3.5 m-20 -66.88 -44.15 81.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.438 -0.801 . . . . 2.19 111.398 -175.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.57 -37.67 84.71 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.014 -0.274 . . . . 1.12 110.851 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.595 ' HB2' HD23 ' A' ' 5' ' ' LEU . 59.1 tp -65.16 -51.79 59.0 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.765 -0.458 . . . . 1.77 109.765 175.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -55.97 -47.76 77.06 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.82 -0.627 . . . . 2.74 112.024 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.535 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 15.0 ptm180 -67.46 -28.86 68.23 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 121.173 -0.211 . . . . 4.33 111.504 -177.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.88 -35.76 79.26 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.743 0.306 . . . . 1.24 111.133 -177.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.584 HD12 HG22 ' A' ' 48' ' ' THR . 4.1 mm? -63.54 -43.88 95.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 1.47 110.373 178.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.0 t -71.73 -34.26 51.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.926 -0.579 . . . . 1.36 111.079 -177.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 45.3 mt-10 -67.51 -35.65 79.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.294 -0.412 . . . . 1.49 111.321 -177.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.8 m -83.7 -17.64 40.64 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.933 -0.307 . . . . 1.61 111.152 175.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.457 -0.338 . . . . 1.7 110.816 178.063 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.8 mt . . . . . 0 C--O 1.235 0.291 0 CA-C-O 120.92 0.39 . . . . 2.2 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.8 t -80.34 98.94 7.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.325 0.583 . . . . 2.49 109.971 176.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 154.32 -149.54 20.93 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.297 -0.865 . . . . 1.85 111.333 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -87.34 69.52 9.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.094 0.473 . . . . 2.77 110.163 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.432 ' O ' ' HG2' ' A' ' 71' ' ' PRO . 37.6 p90 -72.96 -31.3 64.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.005 -0.543 . . . . 1.19 110.433 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.725 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 95.6 mt -58.23 -21.23 47.25 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.972 -0.558 . . . . 1.4 111.944 177.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -94.47 -19.61 20.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.07 0.462 . . . . 2.29 110.6 -176.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.9 mt -90.67 131.61 36.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.993 -0.549 . . . . 1.78 111.235 -176.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -66.43 143.68 56.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.751 -0.204 . . . . 3.44 111.291 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -53.55 -42.21 67.26 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.346 -0.388 . . . . 0.68 111.224 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -54.42 -33.14 58.81 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.683 -0.69 . . . . 2.6 111.625 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -89.74 -27.38 20.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.802 0.334 . . . . 2.03 111.406 -173.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.511 HG13 ' HD2' ' A' ' 40' ' ' TYR . 25.5 pt -87.36 19.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.996 0.427 . . . . 1.29 111.54 -178.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.44 21.73 59.8 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.637 -0.792 . . . . 0.68 113.5 172.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.511 ' HD2' HG13 ' A' ' 38' ' ' ILE . 76.1 m-85 -116.21 98.86 6.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.262 0.554 . . . . 1.09 110.803 177.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -80.13 -179.74 7.2 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.87 -1.059 . . . . 1.93 109.911 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.5 p -50.93 -49.88 58.82 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 122.87 0.468 . . . . 0.92 111.706 -177.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.92 -51.39 69.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.816 -0.629 . . . . 1.8 111.258 -178.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.1 -37.82 88.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.15 0.5 . . . . 1.21 111.007 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.1 tp -63.5 -46.98 83.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.773 -0.648 . . . . 1.38 111.374 -178.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.1 ptm -65.31 -38.59 90.65 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 121.014 -0.274 . . . . 1.79 111.328 -177.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -66.36 -31.57 72.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.132 0.491 . . . . 2.2 110.826 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.584 HG22 HD12 ' A' ' 14' ' ' LEU . 43.4 m -67.16 -27.44 67.3 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.237 -0.438 . . . . 1.25 111.544 178.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.94 -35.82 71.66 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.066 0.395 . . . . 1.17 112.066 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.99 -26.52 68.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.108 -0.496 . . . . 1.2 111.066 -175.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -66.53 -35.65 80.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.686 -0.688 . . . . 3.4 111.454 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 68.6 mt -83.23 -45.33 13.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.111 0.481 . . . . 1.25 110.905 -176.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -56.58 -55.44 33.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.472 -0.785 . . . . 0.51 111.559 -178.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 55.4 p -66.83 -22.75 65.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 1.97 111.738 -175.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -80.34 -51.85 8.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.306 -0.406 . . . . 2.83 111.17 -175.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.569 ' CZ ' ' HA ' ' A' ' 5' ' ' LEU . 93.5 m-85 -94.69 -7.49 40.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.613 0.244 . . . . 1.36 111.562 -175.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.85 47.17 20.7 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.514 -0.85 . . . . 0.58 111.131 -176.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.8 m -124.39 -171.76 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.461 -0.369 . . . . 1.2 110.18 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -153.97 135.55 14.33 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.149 -0.686 . . . . 2.17 109.149 173.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 70.6 mt -93.42 118.15 67.53 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 116.074 -0.512 . . . . 1.21 109.965 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.44 127.63 26.07 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.871 2.381 . . . . 0.96 112.286 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.3 p-10 -59.77 -34.3 72.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.54 -0.754 . . . . 1.99 112.379 -174.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -77.42 -44.95 27.36 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.767 0.318 . . . . 2.44 110.464 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 44.5 t -71.19 -22.06 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.13 -0.486 . . . . 1.77 110.54 -176.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.73 -23.42 67.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.961 0.41 . . . . 1.23 110.974 176.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.55 -3.34 62.85 Favored Glycine 0 C--O 1.228 -0.254 0 C-N-CA 121.0 -0.619 . . . . 0.77 112.159 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.42 -11.98 24.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.846 0.355 . . . . 4.26 110.727 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.6 m -89.56 158.88 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.708 -0.478 . . . . 1.54 109.708 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -142.68 -47.15 0.32 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.082 0.468 . . . . 1.75 110.901 -176.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.9 p -103.25 150.13 37.63 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.018 -0.537 . . . . 1.12 110.964 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.725 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 53.2 Cg_exo -55.54 -32.75 84.1 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.132 2.555 . . . . 0.42 112.305 177.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -53.46 -52.49 59.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.011 -0.54 . . . . 4.31 110.491 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.73 -40.04 90.9 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.895 -0.593 . . . . 2.43 110.625 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.56 -48.56 78.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.924 -0.58 . . . . 1.84 110.205 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.524 ' HG ' HD22 ' A' ' 5' ' ' LEU . 5.4 tt -61.05 -51.17 70.33 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.879 -0.6 . . . . 1.74 109.966 178.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -56.23 -42.06 76.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.241 -0.436 . . . . 1.43 111.564 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.74 -54.0 48.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 2.22 111.433 -177.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 43.8 mt -68.51 -33.11 58.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.375 -0.375 . . . . 1.15 111.034 -176.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.48 -44.36 74.94 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.859 -0.336 . . . . 1.67 110.23 176.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.16 -33.51 87.44 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.203 -0.522 . . . . 0.54 112.61 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.3 -39.31 78.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 1.22 110.557 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.3 mt -74.19 -37.9 63.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.031 -0.531 . . . . 1.53 111.514 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 1.34 111.993 -178.396 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.7 mt . . . . . 0 C--O 1.231 0.122 0 N-CA-C 109.718 -0.475 . . . . 1.48 109.718 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.821 HD23 ' HG ' ' A' ' 75' ' ' LEU . 4.1 tt -84.39 122.71 29.32 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.513 -0.551 . . . . 1.62 109.513 -177.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.9 p -111.11 165.97 11.45 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.927 -0.397 . . . . 1.75 109.927 178.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.44 HG23 HD12 ' A' ' 31' ' ' LEU . 3.4 m -56.99 -40.39 76.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 1.8 110.839 175.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -70.71 -39.86 73.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.187 -0.461 . . . . 2.19 111.011 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -62.08 -42.77 99.55 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 120.874 0.369 . . . . 1.12 110.196 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.457 ' HB2' HD21 ' A' ' 5' ' ' LEU . 44.0 tp -63.62 -46.03 87.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.978 -0.555 . . . . 1.77 110.024 177.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -54.91 -53.27 57.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.753 -0.658 . . . . 2.74 111.115 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -66.83 -29.62 69.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.308 -0.406 . . . . 4.33 110.923 -175.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.73 -45.98 90.19 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.432 -0.349 . . . . 1.24 110.791 -178.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.591 HD12 HG22 ' A' ' 48' ' ' THR . 4.5 mm? -62.44 -43.52 98.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.078 0.466 . . . . 1.47 110.819 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 67.9 t -66.11 -56.19 15.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.704 -0.68 . . . . 1.36 111.339 -177.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -76.14 -9.17 58.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.415 . . . . 1.49 111.926 -173.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.2 t -80.44 -40.72 25.79 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.986 -0.376 . . . . 1.61 109.986 174.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.989 -0.55 . . . . 1.7 111.139 -178.574 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.7 tp . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 122.051 0.929 . . . . 2.2 109.239 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.67 0.58 57.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.853 -1.067 . . . . 2.49 111.195 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.08 41.65 2.59 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.955 -0.64 . . . . 1.85 112.307 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.7 t0 71.06 156.78 0.16 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.451 0.7 . . . . 2.77 111.174 -176.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -165.45 -26.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.909 -0.587 . . . . 1.19 111.05 -176.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.673 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 97.1 mt -55.74 -40.51 72.6 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.818 0.673 . . . . 1.4 112.818 -174.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -93.2 -14.6 26.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.206 0.527 . . . . 2.29 110.875 -175.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.6 mt -86.13 146.72 26.47 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.974 -0.557 . . . . 1.78 110.212 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -71.35 149.39 46.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.525 -0.307 . . . . 3.44 110.751 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.423 ' HA ' HG12 ' A' ' 38' ' ' ILE . 67.5 m-85 -54.48 -37.43 65.26 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.949 0.404 . . . . 0.68 110.492 176.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -56.13 -30.37 62.03 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.5 -0.773 . . . . 2.6 111.331 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -92.06 -25.08 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 2.03 112.141 -172.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.481 HG13 ' HD2' ' A' ' 40' ' ' TYR . 26.2 pt -87.34 21.97 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.589 -0.445 . . . . 1.29 111.844 -176.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.64 17.17 80.22 Favored Glycine 0 CA--C 1.52 0.356 0 CA-C-N 115.928 -0.578 . . . . 0.68 114.085 172.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.481 ' HD2' HG13 ' A' ' 38' ' ' ILE . 57.5 m-85 -107.48 115.41 30.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.55 0.675 . . . . 1.09 111.034 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -73.52 161.38 30.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.638 -0.71 . . . . 1.93 110.024 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -44.06 55.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 123.438 0.461 . . . . 0.92 111.984 178.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.483 HD12 ' HE3' ' A' ' 46' ' ' MET . 63.0 tp -57.28 -57.83 10.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 1.8 110.868 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.69 -28.65 70.09 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.188 0.518 . . . . 1.21 111.189 -177.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.3 tp -64.65 -51.08 64.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.946 -0.57 . . . . 1.38 110.769 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.483 ' HE3' HD12 ' A' ' 43' ' ' LEU . 18.9 ptt? -72.68 -24.28 61.0 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.821 -0.351 . . . . 1.79 111.153 -177.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 9.9 mm-40 -63.08 -45.9 89.96 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.583 0.706 . . . . 2.2 109.536 175.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.591 HG22 HD12 ' A' ' 14' ' ' LEU . 35.6 m -63.36 -29.25 70.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.215 -0.902 . . . . 1.25 111.592 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.447 ' HB1' HD13 ' A' ' 60' ' ' ILE . . . -57.53 -41.7 81.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.904 0.383 . . . . 1.17 111.398 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.22 -29.35 70.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.747 -0.66 . . . . 1.2 110.827 -177.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 51' ' ' ARG . 8.5 mmm180 -72.06 -36.75 69.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.569 -0.741 . . . . 3.4 110.447 -177.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.7 mt -67.71 -47.18 70.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.973 0.416 . . . . 1.25 110.114 178.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.442 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 55.2 mt-10 -59.04 -47.62 84.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.566 -0.743 . . . . 0.51 110.499 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.1 m -65.4 -30.95 71.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.251 -0.431 . . . . 1.97 111.705 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -71.71 -53.62 12.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 2.83 110.503 -177.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -93.74 -8.79 39.74 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.139 0.422 . . . . 1.36 112.139 -172.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.45 34.82 49.3 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.33 -0.938 . . . . 0.58 111.156 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.442 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 21.7 m -112.2 -173.75 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.039 0.447 . . . . 1.2 110.884 -176.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.439 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 8.2 t -146.93 138.14 24.06 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.95 -0.759 . . . . 2.17 108.95 170.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.447 HD13 ' HB1' ' A' ' 49' ' ' ALA . 67.6 mt -90.86 118.87 68.92 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.232 -0.44 . . . . 1.21 110.072 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.426 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 52.5 Cg_exo -52.95 120.64 7.98 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.718 2.278 . . . . 0.96 112.317 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -56.87 -38.51 72.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.387 -0.824 . . . . 1.99 112.348 -175.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -78.92 -40.04 33.12 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.353 0.597 . . . . 2.44 110.478 -177.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.426 ' HB ' ' HB2' ' A' ' 61' ' ' PRO . 21.9 t -76.02 -27.03 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.922 -0.581 . . . . 1.77 111.544 -176.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -61.24 -37.2 82.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.359 . . . . 1.23 111.108 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.54 9.74 41.01 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.724 -0.671 . . . . 0.77 112.702 -178.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -100.52 -16.62 17.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.618 0.246 . . . . 4.26 110.818 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 65' ' ' ALA . 18.9 m -96.2 159.78 2.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 120.898 0.38 . . . . 1.54 111.352 -176.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -143.68 -1.4 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.785 -0.643 . . . . 1.75 110.345 174.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 p -135.53 136.86 24.72 Favored Pre-proline 0 N--CA 1.449 -0.482 0 CA-C-N 115.855 -0.611 . . . . 1.12 111.314 -173.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.673 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 89.8 Cg_exo -50.53 -40.77 54.37 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 124.051 3.167 . . . . 0.42 113.619 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -54.0 -52.13 61.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.954 0.406 . . . . 4.31 111.281 -178.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -64.83 -31.23 72.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.945 -0.57 . . . . 2.43 111.364 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.24 -43.85 76.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.137 -0.483 . . . . 1.84 110.097 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.821 ' HG ' HD23 ' A' ' 5' ' ' LEU . 8.8 tt -58.49 -55.98 27.99 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.905 -0.589 . . . . 1.74 110.666 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.11 -26.98 67.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.224 -0.444 . . . . 1.43 111.555 -178.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.7 tp -64.11 -52.68 58.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.657 0.265 . . . . 2.22 111.178 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.7 mt -67.54 -44.16 86.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 1.15 110.628 -177.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -64.87 -32.25 73.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.411 -0.359 . . . . 1.67 111.388 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.08 -35.46 91.51 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.522 -0.847 . . . . 0.54 111.918 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.45 -30.43 61.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.103 0.478 . . . . 1.22 110.764 177.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.4 mt -72.52 -42.25 65.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.837 -0.62 . . . . 1.53 110.869 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.054 0.454 . . . . 1.34 110.965 177.767 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.3 mt . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.899 -0.408 . . . . 1.48 109.899 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.686 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 2.3 tt -80.4 121.76 26.11 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.932 -1.136 . . . . 1.62 107.932 176.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -121.35 159.26 26.46 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.194 -0.298 . . . . 1.75 110.194 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.465 ' CG2' HD12 ' A' ' 31' ' ' LEU . 3.1 m -55.77 -33.53 64.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.973 -0.558 . . . . 1.8 111.649 -177.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.35 -60.91 3.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.823 -0.626 . . . . 2.19 110.539 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -67.12 -29.47 69.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.192 -0.913 . . . . 1.12 111.434 -178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.21 -44.16 97.71 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.819 -0.437 . . . . 1.77 109.819 176.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -56.29 -32.43 64.58 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.609 -0.723 . . . . 2.74 111.097 176.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -77.48 -42.37 36.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 4.33 111.555 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.73 -37.63 82.4 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.155 0.428 . . . . 1.24 112.155 -173.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.36 -37.12 86.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.102 0.477 . . . . 1.47 110.706 177.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.1 t -73.2 -39.65 56.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.004 0.431 . . . . 1.36 110.036 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -61.38 -37.94 85.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.905 -0.589 . . . . 1.49 111.169 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.782 ' HB3' ' HG3' ' A' ' 51' ' ' ARG . 18.4 p -78.01 -39.88 40.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.577 0.227 . . . . 1.61 111.219 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.946 0.403 . . . . 1.7 110.77 178.726 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 120.995 0.426 . . . . 2.2 110.103 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.1 t -70.7 -26.81 63.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 2.49 110.168 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -103.81 -162.84 25.0 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.885 -0.674 . . . . 1.85 111.833 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -81.34 131.18 35.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.811 0.339 . . . . 2.77 110.327 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -117.42 -22.98 7.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.971 -0.559 . . . . 1.19 111.045 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.703 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 3.8 mp -60.18 -30.11 69.13 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 112.299 0.481 . . . . 1.4 112.299 -176.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -89.29 -19.6 25.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.178 0.513 . . . . 2.29 110.891 -174.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.5 mt -88.99 151.43 22.3 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.741 -0.663 . . . . 1.78 109.67 177.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.438 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 93.0 mtt180 -73.02 153.96 40.68 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.231 -0.293 . . . . 3.44 110.291 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -55.55 -52.51 63.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.719 0.295 . . . . 0.68 111.44 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.426 ' H ' ' CD ' ' A' ' 36' ' ' GLU . 1.2 mp0 -60.62 -22.44 63.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.3 0.572 . . . . 2.6 110.651 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -82.79 -32.47 27.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.72 -0.673 . . . . 2.03 109.82 -174.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.445 HG13 ' HD2' ' A' ' 40' ' ' TYR . 14.4 pt -91.86 14.66 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.302 -0.408 . . . . 1.29 111.549 176.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.94 20.44 61.14 Favored Glycine 0 CA--C 1.516 0.137 0 C-N-CA 121.021 -0.609 . . . . 0.68 113.632 174.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.445 ' HD2' HG13 ' A' ' 38' ' ' ILE . 55.1 m-85 -108.52 103.57 12.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.192 0.52 . . . . 1.09 110.604 176.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -88.57 -172.67 3.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.445 -0.798 . . . . 1.93 110.55 -175.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.7 p -52.56 -55.3 23.19 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.378 0.671 . . . . 0.92 112.161 -173.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' A' ' 46' ' ' MET . 59.9 tp -61.16 -46.3 91.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.833 -0.621 . . . . 1.8 111.452 -176.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.43 -36.82 85.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.116 0.484 . . . . 1.21 110.979 -178.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.3 tp -67.62 -46.64 71.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.875 -0.602 . . . . 1.38 111.103 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.492 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 5.2 ppp? -66.65 -34.52 78.05 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.119 -0.232 . . . . 1.79 111.176 -176.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.45 -35.23 79.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.942 0.401 . . . . 2.2 110.718 175.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 53.1 m -63.22 -32.49 73.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.985 -0.552 . . . . 1.25 111.045 178.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.48 -48.82 76.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.325 -0.398 . . . . 1.17 110.507 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.81 -26.21 68.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.388 0.613 . . . . 1.2 110.723 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.782 ' HG3' ' HB3' ' A' ' 17' ' ' SER . 3.9 mmp_? -72.3 -35.73 68.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.683 -0.689 . . . . 3.4 110.974 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.543 HD21 HD11 ' A' ' 5' ' ' LEU . 77.8 mt -83.64 -47.95 10.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.584 -0.28 . . . . 1.25 111.554 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.483 ' HA ' HG23 ' A' ' 58' ' ' VAL . 52.5 mt-10 -59.44 -55.51 33.77 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.292 -0.413 . . . . 0.51 111.902 -174.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.5 m -66.14 -20.75 66.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.888 0.375 . . . . 1.97 111.578 -177.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -81.3 -47.56 13.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.117 -0.492 . . . . 2.83 111.15 -175.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.686 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 99.1 m-85 -100.47 -9.33 22.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.169 -0.469 . . . . 1.36 111.845 -175.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.42 50.86 7.82 Favored Glycine 0 N--CA 1.453 -0.175 0 C-N-CA 120.639 -0.791 . . . . 0.58 112.141 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.483 HG23 ' HA ' ' A' ' 53' ' ' GLU . 34.2 m -121.67 -171.81 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.985 0.422 . . . . 1.2 111.016 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.0 m -147.81 117.53 7.1 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.19 -0.67 . . . . 2.17 109.19 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.1 mt -90.08 123.01 67.07 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.831 0.348 . . . . 1.21 110.92 -176.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.408 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 48.1 Cg_exo -56.26 128.88 31.98 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.306 2.671 . . . . 0.96 112.821 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -56.56 -53.04 62.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.485 -0.78 . . . . 1.99 112.375 -175.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -79.71 -29.96 40.86 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.865 -0.334 . . . . 2.44 111.583 -171.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.408 ' HB ' ' HB2' ' A' ' 61' ' ' PRO . 45.4 t -72.71 -36.37 52.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.065 0.459 . . . . 1.77 110.17 -179.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.8 -15.45 61.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.948 -0.569 . . . . 1.23 111.918 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.4 -11.85 65.97 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.483 -0.865 . . . . 0.77 112.28 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -97.88 -7.77 29.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.649 0.262 . . . . 4.26 111.229 -176.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.4 m -90.16 106.65 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.732 0.777 . . . . 1.54 110.689 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.438 ' O ' ' HA ' ' A' ' 34' ' ' ARG . 12.7 p-10 -91.61 -13.44 31.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.502 -0.772 . . . . 1.75 110.27 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.3 p -130.42 140.55 39.01 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.783 -0.644 . . . . 1.12 110.761 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.703 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 46.6 Cg_exo -57.38 -23.6 55.95 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 123.095 2.53 . . . . 0.42 112.222 176.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -51.44 -55.55 18.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.715 -0.675 . . . . 4.31 110.645 178.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -66.87 -38.21 85.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.641 -0.709 . . . . 2.43 111.545 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.27 -51.54 69.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.327 -0.397 . . . . 1.84 110.227 -177.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.432 ' CD1' HD23 ' A' ' 5' ' ' LEU . 46.8 tp -59.65 -47.27 86.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.369 -0.378 . . . . 1.74 110.451 178.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -56.0 -41.51 74.99 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.798 -0.637 . . . . 1.43 110.78 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.1 tp -61.81 -56.19 22.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.458 -0.792 . . . . 2.22 111.31 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 65.9 mt -61.54 -41.48 90.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.425 . . . . 1.15 111.006 -176.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -58.92 -48.82 80.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.363 -0.381 . . . . 1.67 110.922 176.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.68 -34.4 89.53 Favored Glycine 0 C--N 1.329 0.152 0 C-N-CA 121.042 -0.599 . . . . 0.54 112.491 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.36 -32.58 70.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.042 0.449 . . . . 1.22 110.599 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.6 mt -79.73 -25.61 41.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.96 -0.564 . . . . 1.53 110.797 178.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.044 -0.526 . . . . 1.34 111.434 -179.869 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.773 0.32 . . . . 1.48 110.756 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.716 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -80.93 125.17 29.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 1.62 109.736 -177.379 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.5 p -107.34 167.76 9.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.97 0.415 . . . . 1.75 111.409 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.468 HG23 HD11 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -58.04 -56.43 22.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.821 -0.627 . . . . 1.8 112.53 178.716 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -63.02 -32.32 73.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.162 -0.472 . . . . 2.19 111.537 -176.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -63.02 -48.15 79.98 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.153 -0.684 . . . . 1.12 109.153 176.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.446 HD21 ' HB3' ' A' ' 71' ' ' PRO . 54.9 tp -60.09 -43.58 95.42 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.181 -0.918 . . . . 1.77 110.306 177.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -53.0 -40.82 64.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 2.74 110.878 178.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -70.37 -33.38 71.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.447 -0.342 . . . . 4.33 111.156 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.79 88.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.375 -0.375 . . . . 1.24 110.979 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.542 ' HB3' ' OH ' ' A' ' 40' ' ' TYR . 3.6 mm? -65.02 -41.33 95.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.922 0.392 . . . . 1.47 110.195 176.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 82.8 t -61.29 -47.56 92.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.092 -0.503 . . . . 1.36 110.744 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.75 -17.81 61.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.453 -0.339 . . . . 1.49 111.628 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.8 m -84.1 -13.91 51.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 1.61 111.187 177.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.369 -0.378 . . . . 1.7 110.705 179.719 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.2 tp . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.194 0.521 . . . . 2.2 110.252 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.6 p -72.72 -21.67 61.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.678 -0.692 . . . . 2.49 110.616 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -103.67 -101.77 2.68 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.872 -0.68 . . . . 1.85 112.492 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -96.45 160.18 14.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.864 0.364 . . . . 2.77 110.622 -174.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -176.44 -32.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.414 -0.812 . . . . 1.19 109.812 -175.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.57 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 29.0 mt -55.91 -49.03 74.58 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 113.755 1.02 . . . . 1.4 113.755 -175.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -93.95 -0.11 55.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.299 0.571 . . . . 2.29 111.049 -170.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.7 mt -87.7 140.31 29.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.91 -0.586 . . . . 1.78 109.864 175.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.42 ' HB3' ' OE1' ' A' ' 36' ' ' GLU . 79.9 mtm180 -70.63 158.55 35.99 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.776 -0.453 . . . . 3.44 109.776 178.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -57.15 -40.82 78.0 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.565 -0.288 . . . . 0.68 111.539 -178.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.42 ' OE1' ' HB3' ' A' ' 34' ' ' ARG . 3.0 pm0 -64.64 -26.48 68.41 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.635 -0.257 . . . . 2.6 111.608 175.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -82.07 -28.57 32.31 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 120.929 0.395 . . . . 2.03 110.144 -175.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.491 HG13 ' HD1' ' A' ' 40' ' ' TYR . 21.2 pt -90.49 3.68 6.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 1.29 111.028 176.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.31 49.45 20.41 Favored Glycine 0 C--N 1.332 0.324 0 CA-C-N 115.964 -0.562 . . . . 0.68 114.097 173.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.542 ' OH ' ' HB3' ' A' ' 14' ' ' LEU . 37.7 m-85 -118.9 122.98 43.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.421 0.61 . . . . 1.09 111.509 177.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -71.67 166.61 21.56 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.288 -0.869 . . . . 1.93 111.347 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.4 p -53.9 -51.27 64.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.848 -0.615 . . . . 0.92 110.896 175.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.501 ' O ' ' HG3' ' A' ' 46' ' ' MET . 33.6 tp -59.63 -40.16 86.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.41 -0.814 . . . . 1.8 111.428 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.33 -41.68 89.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.144 0.497 . . . . 1.21 110.59 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.4 tp -63.79 -39.03 93.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.509 -0.769 . . . . 1.38 111.968 -175.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.501 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 5.1 ppp? -69.16 -32.22 71.4 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.784 -0.367 . . . . 1.79 110.718 -179.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.576 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 30.0 mm-40 -67.07 -38.85 86.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.608 -0.269 . . . . 2.2 110.619 173.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.2 m -57.63 -41.0 80.47 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.163 -0.471 . . . . 1.25 110.81 177.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.488 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -57.22 -49.15 76.9 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.049 -0.523 . . . . 1.17 110.414 176.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.69 -33.21 73.59 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.557 -0.747 . . . . 1.2 111.0 -177.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 4.8 mmp_? -57.71 -45.25 85.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.473 -0.785 . . . . 3.4 110.552 178.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.461 HD23 HD13 ' A' ' 5' ' ' LEU . 70.9 mt -75.09 -45.76 39.15 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.946 -0.57 . . . . 1.25 111.059 -176.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 46.8 mt-10 -56.46 -49.49 74.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.885 -0.598 . . . . 0.51 110.948 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.2 t -63.74 -35.98 82.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.954 -0.566 . . . . 1.97 111.508 -176.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -76.68 -50.04 14.66 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.864 0.32 . . . . 2.83 111.864 -174.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.716 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 89.8 m-85 -93.08 -1.8 56.16 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.249 0.462 . . . . 1.36 112.249 -172.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.48 34.62 79.73 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.257 -0.973 . . . . 0.58 111.531 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.8 m -111.74 -169.17 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.61 -0.295 . . . . 1.2 110.523 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 t -157.66 138.04 12.78 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.718 -0.845 . . . . 2.17 108.718 174.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.8 mt -95.45 112.44 58.84 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 116.192 -0.458 . . . . 1.21 110.16 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -61.05 117.74 4.55 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.155 1.903 . . . . 0.96 111.493 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -66.97 -6.85 18.45 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.471 0.545 . . . . 1.99 112.471 -175.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -78.02 -56.73 4.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.178 0.513 . . . . 2.44 110.364 174.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.4 t -78.83 -12.68 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.998 -0.546 . . . . 1.77 110.962 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.486 ' O ' HG12 ' A' ' 68' ' ' VAL . . . -62.12 -38.72 90.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 1.23 111.792 -178.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.03 38.08 2.71 Favored Glycine 0 C--N 1.321 -0.258 0 C-N-CA 120.72 -0.753 . . . . 0.77 112.153 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -144.77 31.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.896 0.379 . . . . 4.26 110.309 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 65' ' ' ALA . 7.3 p -132.87 126.08 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.178 -0.465 . . . . 1.54 110.263 -178.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -94.08 -43.17 8.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.178 -0.464 . . . . 1.75 111.437 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.55 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 77.0 p -125.98 149.58 66.65 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.953 0.406 . . . . 1.12 112.007 -172.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.57 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 72.1 Cg_exo -47.22 -38.87 26.3 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.763 2.975 . . . . 0.42 112.931 173.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.464 ' HG2' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -56.09 -41.37 75.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 4.31 110.966 -179.692 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.403 ' HB2' HG23 ' A' ' 68' ' ' VAL . 34.2 mt-10 -68.29 -50.37 54.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.973 -0.558 . . . . 2.43 110.285 175.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.29 -46.63 65.99 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.173 -0.921 . . . . 1.84 111.137 -178.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.7 tp -54.83 -54.81 37.51 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.228 -0.896 . . . . 1.74 110.983 -177.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -64.32 -37.42 87.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.958 -0.565 . . . . 1.43 111.06 -176.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.7 tp -63.25 -47.31 82.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.005 -0.543 . . . . 2.22 111.147 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 70.6 mt -65.04 -37.82 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 1.15 110.683 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.8 -42.04 96.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 1.67 110.541 178.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.96 -40.66 99.17 Favored Glycine 0 C--N 1.331 0.269 0 CA-C-N 116.109 -0.496 . . . . 0.54 112.468 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.49 68.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.16 0.505 . . . . 1.22 111.197 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.75 -29.41 45.16 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.726 -0.67 . . . . 1.53 110.671 -177.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.301 -0.408 . . . . 1.34 112.006 -177.3 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.4 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.58 0.229 . . . . 1.48 110.799 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.558 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 1.8 tt -84.95 122.27 28.96 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.188 -1.041 . . . . 1.62 108.188 174.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.43 165.45 11.39 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.36 0.504 . . . . 1.75 112.36 -174.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.466 HG21 HD12 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -57.7 -57.65 11.81 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.599 0.592 . . . . 1.8 112.599 -178.46 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -62.11 -39.94 94.23 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.076 0.465 . . . . 2.19 110.702 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.451 ' HB3' ' OH ' ' A' ' 56' ' ' TYR . 5.1 m-20 -67.99 -27.92 66.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.825 -0.625 . . . . 1.12 111.186 178.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.4 tp -70.43 -41.76 72.46 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.353 -0.61 . . . . 1.77 109.353 173.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.778 ' HG3' ' HG ' ' A' ' 26' ' ' LEU . 39.2 ttp180 -55.46 -43.92 75.93 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 109.385 -0.598 . . . . 2.74 109.385 173.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.517 ' HB3' ' OE2' ' A' ' 16' ' ' GLU . 53.6 mtp180 -57.69 -39.57 77.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.154 -0.93 . . . . 4.33 111.479 175.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.72 -41.63 91.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.957 -0.565 . . . . 1.24 111.728 -173.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.74 -48.59 78.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.771 0.319 . . . . 1.47 110.532 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 52.1 t -63.37 -51.05 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.688 -0.687 . . . . 1.36 110.699 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.517 ' OE2' ' HB3' ' A' ' 12' ' ' ARG . 53.1 mt-10 -64.61 -19.19 65.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.961 -0.563 . . . . 1.49 112.443 -176.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.418 ' OG ' ' HA ' ' A' ' 48' ' ' THR . 49.6 m -90.17 -63.0 1.34 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.179 0.437 . . . . 1.61 112.179 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.705 0.288 . . . . 1.7 111.553 -174.374 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.778 ' HG ' ' HG3' ' A' ' 11' ' ' ARG . 38.2 tp . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.997 0.427 . . . . 2.2 110.069 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.5 m -87.87 -9.27 54.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.905 -0.589 . . . . 2.49 111.121 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.94 -136.39 8.46 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.938 -0.648 . . . . 1.85 111.974 178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -81.04 59.5 3.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.765 0.317 . . . . 2.77 110.835 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -65.96 -29.94 70.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.233 0.539 . . . . 1.19 109.971 -178.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.64 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 92.1 mt -57.49 -23.84 52.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.505 -0.77 . . . . 1.4 111.728 176.189 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -94.85 -22.85 17.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 2.29 111.053 -172.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -90.53 150.96 21.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.259 -0.428 . . . . 1.78 110.453 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.553 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . 32.0 mtt180 -72.42 156.41 39.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.946 0.403 . . . . 3.44 111.345 177.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -55.53 -43.05 75.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.025 -0.534 . . . . 0.68 110.623 173.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.18 -28.79 69.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.858 -0.61 . . . . 2.6 111.557 176.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.553 ' OD2' ' HB2' ' A' ' 34' ' ' ARG . 59.7 m-20 -80.49 -29.68 37.38 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 110.332 -0.247 . . . . 2.03 110.332 -175.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.435 HG13 ' HD1' ' A' ' 40' ' ' TYR . 22.0 pt -89.11 5.73 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.839 0.352 . . . . 1.29 110.927 176.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.08 34.52 12.59 Favored Glycine 0 CA--C 1.519 0.316 0 CA-C-N 115.913 -0.585 . . . . 0.68 114.473 172.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.435 ' HD1' HG13 ' A' ' 38' ' ' ILE . 50.3 m-85 -118.27 121.93 41.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 117.332 0.566 . . . . 1.09 110.738 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -93.18 -174.57 3.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.396 -0.82 . . . . 1.93 110.778 -176.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.1 p -56.26 -47.38 78.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.989 -0.551 . . . . 0.92 111.544 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.5 tp -64.7 -51.05 64.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.15 -0.477 . . . . 1.8 110.626 -176.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.29 80.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.845 0.355 . . . . 1.21 110.566 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.0 tp -65.64 -45.81 81.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.101 -0.5 . . . . 1.38 110.975 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.8 ptm -68.89 -34.94 76.24 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.994 -0.283 . . . . 1.79 111.056 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.14 -36.46 83.18 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.867 0.365 . . . . 2.2 110.514 175.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.418 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 50.3 m -63.01 -40.05 96.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 1.25 110.562 175.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.511 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -56.55 -49.67 74.13 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.07 -0.514 . . . . 1.17 111.063 176.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.12 -27.25 65.42 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.766 -0.652 . . . . 1.2 111.516 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -76.18 -29.66 57.76 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.951 -0.568 . . . . 3.4 110.2 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.8 mt -82.24 -39.41 23.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.085 -0.507 . . . . 1.25 111.116 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 51.3 mt-10 -55.9 -57.89 10.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.758 -0.655 . . . . 0.51 111.692 -176.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.2 p -68.88 -27.15 65.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.184 -0.462 . . . . 1.97 111.97 -177.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -77.75 -44.0 29.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.192 -0.458 . . . . 2.83 111.213 -174.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.558 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 90.1 m-85 -105.85 -2.09 23.48 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.815 0.302 . . . . 1.36 111.815 -174.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.16 52.33 6.29 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.762 -0.732 . . . . 0.58 113.055 176.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.5 m -132.88 -176.26 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.133 0.492 . . . . 1.2 111.398 177.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.8 t -145.13 116.61 8.05 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.983 -1.117 . . . . 2.17 107.983 177.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.401 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 91.4 mt -97.79 111.16 58.23 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-O 121.041 0.448 . . . . 1.21 110.987 -172.189 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 5.7 Cg_exo -75.89 149.62 33.42 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.579 2.853 . . . . 0.96 113.154 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.12 -51.47 69.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.382 -0.827 . . . . 1.99 111.858 -175.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -72.58 -29.63 63.69 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.906 -0.588 . . . . 2.44 110.988 -171.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.712 HG12 HD22 ' A' ' 77' ' ' LEU . 43.8 t -78.35 -40.62 25.27 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 116.178 -0.464 . . . . 1.77 110.311 178.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.75 -45.85 81.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.995 -0.548 . . . . 1.23 111.624 -176.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.91 37.18 1.47 Allowed Glycine 0 CA--C 1.52 0.357 0 CA-C-N 115.811 -0.631 . . . . 0.77 113.159 -175.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -133.39 6.47 3.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.964 0.411 . . . . 4.26 110.577 177.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.459 HG22 HD23 ' A' ' 74' ' ' LEU . 34.6 m -93.53 -180.0 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 1.54 109.823 174.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -145.05 -55.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.026 0.441 . . . . 1.75 109.966 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.9 p -108.43 159.47 30.66 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.942 -0.572 . . . . 1.12 110.854 177.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.64 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 87.9 Cg_exo -51.48 -33.28 46.62 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.237 2.625 . . . . 0.42 112.562 175.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -52.29 -53.62 41.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.946 -0.57 . . . . 4.31 110.646 176.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -64.31 -44.0 92.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.328 -0.851 . . . . 2.43 110.417 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.459 HD23 HG22 ' A' ' 68' ' ' VAL . 2.7 tm? -60.59 -47.2 87.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.543 -0.753 . . . . 1.84 110.709 -178.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 41.5 tp -58.06 -51.87 67.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.256 -0.429 . . . . 1.74 110.952 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -64.92 -33.78 76.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.972 -0.558 . . . . 1.43 111.424 -176.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.712 HD22 HG12 ' A' ' 64' ' ' VAL . 54.0 tp -61.37 -42.94 99.51 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.089 0.471 . . . . 2.22 110.414 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 60.6 mt -79.48 -35.03 16.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.816 -0.629 . . . . 1.15 110.433 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -57.87 -44.07 86.42 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.472 -0.331 . . . . 1.67 110.522 175.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -54.82 -39.47 67.99 Favored Glycine 0 C--N 1.334 0.425 0 CA-C-N 115.998 -0.546 . . . . 0.54 113.266 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.72 -42.52 58.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.257 0.551 . . . . 1.22 111.14 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 34.1 mt -68.49 -27.88 66.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.92 -0.582 . . . . 1.53 111.048 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.216 -0.447 . . . . 1.34 112.065 179.429 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.95 0.405 . . . . 1.48 111.18 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.6 tp -84.17 127.65 34.06 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.189 -0.671 . . . . 1.62 109.189 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.1 p -110.28 176.47 5.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.872 0.368 . . . . 1.75 111.557 -176.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.446 HG21 HD12 ' A' ' 31' ' ' LEU . 17.7 m -58.13 -53.23 60.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.409 -0.814 . . . . 1.8 110.784 174.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.557 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 37.9 t70 -69.64 -37.97 76.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.021 -0.536 . . . . 2.19 111.38 -174.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -62.81 -37.73 87.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.784 0.326 . . . . 1.12 110.338 177.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.5 tp -63.02 -46.19 88.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.097 -0.501 . . . . 1.77 109.675 173.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 40.4 ttm180 -54.28 -29.14 46.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.483 -0.78 . . . . 2.74 111.647 177.038 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' A' ' 8' ' ' ASP . 2.9 mmp_? -80.0 -33.99 38.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.477 -0.329 . . . . 4.33 111.19 -178.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.56 -38.0 85.88 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.952 0.353 . . . . 1.24 111.952 -174.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.604 HD12 HG23 ' A' ' 48' ' ' THR . 3.6 mm? -62.92 -34.17 76.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.328 -0.396 . . . . 1.47 110.597 179.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.3 t -80.74 -37.19 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.334 -0.394 . . . . 1.36 110.425 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 46.5 mt-10 -60.1 -36.03 76.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.017 -0.538 . . . . 1.49 110.995 177.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.648 ' OG ' ' HA ' ' A' ' 48' ' ' THR . 8.5 m -86.24 -56.99 3.19 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.582 -0.735 . . . . 1.61 111.756 -177.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.424 0 CA-C-O 120.667 0.27 . . . . 1.7 111.517 -175.281 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.8 mt . . . . . 0 C--O 1.234 0.237 0 CA-C-O 121.001 0.429 . . . . 2.2 110.152 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 35.4 p -100.6 -26.59 13.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.144 -0.48 . . . . 2.49 110.58 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.96 -164.28 29.29 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.871 -0.68 . . . . 1.85 112.475 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -80.85 79.03 7.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.306 0.574 . . . . 2.77 111.221 -178.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -80.32 -32.93 37.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.898 -0.592 . . . . 1.19 111.668 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.544 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 83.1 mt -55.17 -32.88 62.51 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.202 -0.454 . . . . 1.4 111.472 178.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -95.51 18.65 12.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.597 -0.729 . . . . 2.29 110.915 -169.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.2 mt -140.95 159.82 41.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.534 -0.913 . . . . 1.78 108.534 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 94.2 mtt180 -73.15 160.27 32.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.709 0.29 . . . . 3.44 110.371 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -56.34 -40.05 73.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.14 0.495 . . . . 0.68 110.243 172.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -64.17 -22.52 66.97 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.9 -0.591 . . . . 2.6 111.675 177.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -81.62 -32.39 31.99 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.787 0.327 . . . . 2.03 110.268 -177.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.49 HG13 ' HD2' ' A' ' 40' ' ' TYR . 14.9 pt -91.75 7.53 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.27 -0.423 . . . . 1.29 111.564 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.53 49.62 6.57 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.921 -0.581 . . . . 0.68 114.039 172.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.51 ' CE1' HD13 ' A' ' 14' ' ' LEU . 40.7 m-85 -123.93 112.88 17.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.221 0.534 . . . . 1.09 111.573 176.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.8 161.16 31.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.893 -1.048 . . . . 1.93 110.979 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -47.43 68.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.806 -0.633 . . . . 0.92 112.313 -179.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.577 ' O ' ' HG3' ' A' ' 46' ' ' MET . 57.7 tp -56.25 -53.98 50.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.511 -0.313 . . . . 1.8 111.053 -178.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.03 -34.03 77.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.044 0.45 . . . . 1.21 110.746 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.1 tp -65.48 -45.63 82.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.841 -0.618 . . . . 1.38 111.144 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.577 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 5.1 ppp? -70.61 -32.97 70.52 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.143 -0.223 . . . . 1.79 110.848 -177.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -64.13 -39.36 93.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.122 0.487 . . . . 2.2 110.098 174.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.648 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 55.7 m -64.8 -37.16 86.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.677 -0.692 . . . . 1.25 111.051 178.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.14 -39.16 74.64 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.229 -0.441 . . . . 1.17 111.735 -178.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.22 -29.9 69.04 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.031 -0.531 . . . . 1.2 110.585 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.536 ' HB2' ' O ' ' A' ' 48' ' ' THR . 25.3 mmt180 -61.71 -60.87 3.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.614 -0.721 . . . . 3.4 110.701 177.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.45 -44.03 96.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.892 -0.594 . . . . 1.25 111.156 -176.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.537 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 45.6 mt-10 -59.08 -57.5 12.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.51 111.419 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.4 m -67.02 -31.87 72.7 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.812 0.301 . . . . 1.97 111.812 -176.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -74.69 -45.95 41.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.466 -0.334 . . . . 2.83 111.449 -175.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -100.0 -2.16 35.21 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.01 0.374 . . . . 1.36 112.01 -175.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.98 39.65 37.47 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.739 -0.743 . . . . 0.58 112.708 176.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.537 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 33.8 m -114.18 177.08 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.717 0.294 . . . . 1.2 110.743 -179.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.412 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 50.3 m -141.51 118.03 10.91 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.024 -0.534 . . . . 2.17 109.82 177.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.1 mt -94.78 108.63 38.87 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 109.565 -0.531 . . . . 1.21 109.565 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 59' ' ' SER . 24.3 Cg_exo -62.99 139.84 75.8 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.6 2.2 . . . . 0.96 111.802 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -61.36 -13.42 19.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.966 -0.561 . . . . 1.99 111.319 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -76.29 -60.59 2.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.099 -0.501 . . . . 2.44 110.745 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.5 p -74.41 -15.76 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.25 0.548 . . . . 1.77 111.233 -177.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.69 -30.29 70.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.912 -0.585 . . . . 1.23 110.979 177.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.31 30.41 8.72 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.734 -0.746 . . . . 0.77 112.01 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -130.93 -17.22 3.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.847 0.356 . . . . 4.26 110.946 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.725 HG21 HD22 ' A' ' 74' ' ' LEU . 16.8 m -91.62 109.15 20.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.424 0.631 . . . . 1.54 111.472 -176.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 34' ' ' ARG . 10.7 p-10 -92.89 -43.04 9.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 1.75 111.051 -178.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.518 ' OG1' ' HG2' ' A' ' 73' ' ' GLU . 75.5 p -102.33 146.85 33.08 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.749 0.309 . . . . 1.12 111.058 179.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.544 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 82.0 Cg_exo -51.37 -34.39 50.12 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.864 2.376 . . . . 0.42 111.548 170.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -54.34 -48.57 71.26 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.262 -0.426 . . . . 4.31 110.702 174.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.518 ' HG2' ' OG1' ' A' ' 70' ' ' THR . 20.6 mm-40 -63.47 -44.92 93.02 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.217 0.532 . . . . 2.43 110.164 179.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.725 HD22 HG21 ' A' ' 68' ' ' VAL . 2.3 tm? -61.48 -50.91 70.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.218 -0.901 . . . . 1.84 110.694 -177.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.3 tp -58.71 -48.83 79.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.858 -0.61 . . . . 1.74 110.721 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -56.52 -42.01 77.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 1.43 111.279 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.0 tp -61.37 -56.52 19.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.839 -0.619 . . . . 2.22 111.183 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.9 mt -66.89 -44.29 88.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.058 -0.519 . . . . 1.15 111.127 -176.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -61.03 -42.59 98.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.422 . . . . 1.67 110.344 -177.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.82 -30.49 76.25 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 121.048 -0.596 . . . . 0.54 112.653 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.87 -32.21 65.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.931 0.396 . . . . 1.22 110.686 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.06 -23.14 63.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.095 -0.502 . . . . 1.53 111.022 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 1.34 111.239 179.262 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.516 0.198 . . . . 1.48 111.192 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.628 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 1.4 tt -79.96 128.45 33.48 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.943 -0.762 . . . . 1.62 108.943 -177.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 54.9 p -101.95 154.5 18.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.714 0.292 . . . . 1.75 110.602 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.7 m -57.97 -37.87 75.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.982 -0.554 . . . . 1.8 110.943 176.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -70.32 -40.18 74.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.292 -0.413 . . . . 2.19 110.689 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.03 -41.73 97.12 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.1 0.476 . . . . 1.12 110.387 174.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.416 HD11 HD11 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -58.73 -50.63 73.19 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.409 -0.814 . . . . 1.77 109.743 177.092 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -55.49 -40.7 72.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.938 -0.574 . . . . 2.74 111.236 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -62.54 -49.37 75.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.58 -0.282 . . . . 4.33 110.947 176.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.67 -39.04 89.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.207 -0.451 . . . . 1.24 111.959 -173.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.451 HD12 ' CZ ' ' A' ' 40' ' ' TYR . 3.8 mm? -60.26 -42.96 96.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.079 0.466 . . . . 1.47 110.602 177.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.1 t -67.81 -51.64 48.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.869 -0.605 . . . . 1.36 110.756 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -59.08 -30.15 67.87 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.903 -0.59 . . . . 1.49 111.794 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.497 ' HB2' ' HG3' ' A' ' 51' ' ' ARG . 9.9 t -84.75 -32.85 23.22 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.831 0.308 . . . . 1.61 111.831 -177.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.45 ' HB1' ' HE1' ' A' ' 40' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.3 0 N-CA-C 112.362 0.504 . . . . 1.7 112.362 -174.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 121.112 0.482 . . . . 2.2 109.732 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.5 m -77.06 -4.78 46.01 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.695 -0.684 . . . . 2.49 111.328 -176.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.38 -83.65 1.6 Allowed Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.135 -0.786 . . . . 1.85 111.135 175.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -134.39 -177.58 4.66 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.21 -0.663 . . . . 2.77 109.21 174.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -167.94 -32.58 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.71 -0.223 . . . . 1.19 110.791 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.815 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 95.2 mt -52.17 -35.95 50.28 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.81 0.67 . . . . 1.4 112.81 -177.334 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -94.58 -13.82 25.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.817 0.341 . . . . 2.29 111.41 -173.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 98.0 mt -88.35 149.0 23.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.406 -0.361 . . . . 1.78 110.757 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.546 ' O ' HG12 ' A' ' 38' ' ' ILE . 42.2 mtp180 -74.43 143.62 44.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.673 -0.239 . . . . 3.44 110.718 -177.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -54.39 -54.36 41.6 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.947 0.404 . . . . 0.68 112.059 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -21.91 66.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.202 -0.453 . . . . 2.6 112.09 -179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -85.51 -27.03 25.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.927 0.394 . . . . 2.03 110.935 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.549 HG13 ' HD2' ' A' ' 40' ' ' TYR . 19.2 pt -93.01 22.11 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.017 0.437 . . . . 1.29 111.732 177.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.82 43.87 16.6 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.888 -0.596 . . . . 0.68 113.679 171.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.549 ' HD2' HG13 ' A' ' 38' ' ' ILE . 68.1 m-85 -126.82 114.04 17.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.1 0.476 . . . . 1.09 110.686 175.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -71.89 163.85 27.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.534 -0.757 . . . . 1.93 110.284 176.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.4 p -52.66 -45.37 66.7 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.991 -0.55 . . . . 0.92 111.654 177.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.32 -43.79 98.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 1.8 110.686 178.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.87 -32.69 74.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.22 0.533 . . . . 1.21 110.957 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.1 tp -69.97 -43.45 71.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.648 -0.705 . . . . 1.38 111.297 -178.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.6 ptm -66.59 -29.47 69.53 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.975 0.417 . . . . 1.79 109.951 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -64.97 -41.51 95.38 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.936 -0.575 . . . . 2.2 110.7 174.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.494 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 23.2 m -64.46 -38.44 91.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.998 -0.546 . . . . 1.25 110.607 179.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.9 -44.02 86.53 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.186 -0.461 . . . . 1.17 110.91 176.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.93 75.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.871 -0.604 . . . . 1.2 110.418 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.497 ' HG3' ' HB2' ' A' ' 17' ' ' SER . 14.6 mmt180 -59.31 -42.77 92.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.46 -0.791 . . . . 3.4 110.878 177.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.563 HD21 HD11 ' A' ' 5' ' ' LEU . 91.5 mt -72.16 -47.78 48.32 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.819 -0.628 . . . . 1.25 111.074 -177.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -61.59 -42.33 98.71 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.275 -0.421 . . . . 0.51 111.561 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.9 m -67.21 -25.77 66.28 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.236 0.458 . . . . 1.97 112.236 -177.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -85.13 -46.09 11.44 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.966 -0.294 . . . . 2.83 111.405 -177.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.628 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 97.8 m-85 -95.6 -19.55 19.67 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.054 0.39 . . . . 1.36 112.054 -175.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.38 38.52 45.15 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.65 -0.786 . . . . 0.58 111.871 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.602 HG13 HD21 ' A' ' 82' ' ' LEU . 28.5 m -97.68 -176.43 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.89 0.376 . . . . 1.2 111.208 -175.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.3 p -132.01 107.09 8.44 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.859 -0.609 . . . . 2.17 110.279 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.2 mt -90.67 110.91 44.75 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.068 -0.514 . . . . 1.21 109.954 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.89 119.33 6.33 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.728 2.285 . . . . 0.96 111.398 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -65.26 -4.46 5.32 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.265 -0.425 . . . . 1.99 111.893 -175.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -73.1 -68.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.204 0.526 . . . . 2.44 110.13 177.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 20.0 t -76.1 -17.04 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.605 -0.725 . . . . 1.77 110.979 -177.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -61.74 -33.21 73.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 1.23 111.247 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -82.98 28.78 3.55 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.621 -0.799 . . . . 0.77 112.626 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -137.4 4.03 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.679 0.239 . . . . 4.26 111.226 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.575 HG21 HD22 ' A' ' 74' ' ' LEU . 16.5 m -94.77 110.61 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.47 0.652 . . . . 1.54 110.759 178.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -90.84 -38.16 13.13 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.681 -0.69 . . . . 1.75 111.314 -174.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.9 p -115.41 150.62 44.86 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.08 -0.509 . . . . 1.12 110.885 -179.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.815 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 77.0 Cg_exo -54.66 -26.68 47.63 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.202 2.602 . . . . 0.42 112.727 175.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -54.44 -56.02 22.9 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.159 0.504 . . . . 4.31 110.178 174.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -62.91 -41.31 99.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.321 -0.854 . . . . 2.43 110.399 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.575 HD22 HG21 ' A' ' 68' ' ' VAL . 2.5 tm? -55.89 -53.97 50.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.875 -0.602 . . . . 1.84 110.439 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.416 HD11 HD11 ' A' ' 10' ' ' LEU . 58.7 tp -59.69 -52.51 65.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.917 -0.583 . . . . 1.74 111.206 179.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.67 -35.71 78.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.965 -0.561 . . . . 1.43 111.434 -175.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.43 -50.32 73.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.986 0.422 . . . . 2.22 110.047 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 79.2 mt -70.28 -37.0 69.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.158 -0.474 . . . . 1.15 110.653 -178.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -61.37 -43.46 98.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.601 -0.272 . . . . 1.67 110.776 175.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.73 -36.77 93.21 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.372 -0.442 . . . . 0.54 112.644 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.41 -45.24 66.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.069 0.461 . . . . 1.22 110.917 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.602 HD21 HG13 ' A' ' 58' ' ' VAL . 77.5 mt -70.55 -32.23 69.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.95 -0.568 . . . . 1.53 111.504 -178.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.305 -0.407 . . . . 1.34 111.808 -176.798 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 63.4 mt . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 109.637 -0.505 . . . . 1.48 109.637 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.567 HD13 HD23 ' A' ' 52' ' ' LEU . 1.6 tt -80.73 123.5 28.25 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.371 -0.974 . . . . 1.62 108.371 178.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.7 p -122.78 -178.21 3.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 1.75 111.756 -176.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.9 m -58.06 -55.93 28.59 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.714 -0.675 . . . . 1.8 111.216 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 36.0 t70 -61.97 -35.63 79.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.828 -0.624 . . . . 2.19 110.858 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -65.3 -45.24 85.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.313 -0.403 . . . . 1.12 110.89 177.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.405 HD21 ' HB3' ' A' ' 71' ' ' PRO . 43.1 tp -62.28 -36.8 83.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.111 0.482 . . . . 1.77 109.874 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.437 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 40.3 ttm180 -54.21 -25.94 25.72 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.327 -0.851 . . . . 2.74 111.674 177.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.862 ' HA ' ' HE ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -80.82 -44.67 18.11 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.715 0.265 . . . . 4.33 111.715 -179.045 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.26 86.83 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 112.369 0.507 . . . . 1.24 112.369 -171.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.553 HD12 HG21 ' A' ' 48' ' ' THR . 4.0 mm? -64.21 -32.63 74.28 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.389 0.614 . . . . 1.47 110.646 178.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 90.4 t -79.22 -37.33 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.818 -0.628 . . . . 1.36 110.724 -178.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 52.5 mt-10 -57.1 -46.82 82.28 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.056 0.455 . . . . 1.49 111.303 178.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 p -87.19 -42.38 13.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.452 -0.795 . . . . 1.61 112.84 -171.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.401 ' HB2' ' HE1' ' A' ' 40' ' ' TYR . . . . . . . . 0 C--N 1.328 -0.329 0 N-CA-C 113.366 0.876 . . . . 1.7 113.366 -169.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.2 tp . . . . . 0 CA--C 1.534 0.329 0 CA-C-O 121.138 0.494 . . . . 2.2 111.201 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.7 m -86.95 81.18 8.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.11 0.481 . . . . 2.49 110.852 -175.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -172.52 -157.76 15.13 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.542 -0.623 . . . . 1.85 111.542 178.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -81.54 81.63 7.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.924 0.869 . . . . 2.77 110.366 178.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -79.98 -17.37 53.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.192 -0.913 . . . . 1.19 111.997 -174.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.517 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 52.7 mt -54.21 -41.26 68.43 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.565 0.58 . . . . 1.4 112.565 -175.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -98.5 4.07 48.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.011 0.434 . . . . 2.29 111.284 -176.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.9 mt -92.79 137.1 32.66 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.275 -0.639 . . . . 1.78 109.275 173.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -71.7 152.24 42.96 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.644 -0.422 . . . . 3.44 110.664 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -55.86 -34.9 65.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.326 0.584 . . . . 0.68 109.563 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -58.05 -31.97 67.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 114.899 -1.046 . . . . 2.6 111.611 175.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -83.62 -39.33 20.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.922 0.391 . . . . 2.03 110.656 -174.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.489 HG13 ' HD2' ' A' ' 40' ' ' TYR . 17.1 pt -89.0 14.9 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.0 -0.545 . . . . 1.29 112.193 -175.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.03 31.17 66.94 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 121.378 -0.439 . . . . 0.68 113.796 174.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.489 ' HD2' HG13 ' A' ' 38' ' ' ILE . 51.7 m-85 -113.41 106.95 15.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.142 0.496 . . . . 1.09 110.411 177.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -86.7 179.63 6.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.575 -0.738 . . . . 1.93 111.594 -177.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.6 p -50.28 -57.85 6.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.919 -1.037 . . . . 0.92 112.71 -177.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.2 tp -58.71 -47.82 83.23 Favored 'General case' 0 C--N 1.334 -0.07 0 CA-C-N 116.412 -0.358 . . . . 1.8 111.217 -176.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.46 -39.53 93.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.046 0.451 . . . . 1.21 110.778 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.1 tp -64.88 -42.27 94.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.821 -0.627 . . . . 1.38 111.398 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.7 ptm -69.39 -30.18 68.09 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.25 -0.58 . . . . 1.79 110.792 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.9 -43.64 82.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.851 0.358 . . . . 2.2 110.082 174.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.553 HG21 HD12 ' A' ' 14' ' ' LEU . 53.9 m -63.32 -37.83 88.78 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.238 -0.437 . . . . 1.25 110.814 175.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.72 -39.92 71.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 1.17 111.619 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.28 -31.69 71.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.257 0.551 . . . . 1.2 110.514 -178.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -64.57 -44.53 90.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.111 -0.949 . . . . 3.4 110.313 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.567 HD23 HD13 ' A' ' 5' ' ' LEU . 76.1 mt -66.92 -46.57 74.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 1.25 110.566 -177.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.545 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 63.4 mt-10 -59.81 -53.28 59.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.51 110.646 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.7 t -63.41 -39.44 94.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.985 -0.552 . . . . 1.97 111.717 -175.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -67.64 -44.77 77.15 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.722 0.267 . . . . 2.83 111.722 -175.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.466 ' CE1' ' HG ' ' A' ' 5' ' ' LEU . 88.6 m-85 -95.51 -20.24 19.18 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.959 0.355 . . . . 1.36 111.959 -174.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.22 36.54 10.83 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.402 -0.904 . . . . 0.58 111.772 -177.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.545 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 33.8 m -107.87 -170.32 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.637 0.256 . . . . 1.2 111.101 -178.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.6 t -156.23 127.54 7.09 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.118 -0.697 . . . . 2.17 109.118 177.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.3 mt -96.7 122.31 57.34 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.173 -0.467 . . . . 1.21 110.626 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -58.02 128.11 27.59 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.814 2.343 . . . . 0.96 111.621 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -64.89 -11.47 38.13 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.354 0.502 . . . . 1.99 112.354 -175.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -78.62 -44.91 22.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.267 0.556 . . . . 2.44 110.158 173.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.494 HG13 ' HG ' ' A' ' 77' ' ' LEU . 21.5 t -74.79 -19.37 16.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.788 -0.642 . . . . 1.77 111.169 -175.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.66 -30.09 67.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 1.23 111.326 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -106.45 19.65 36.33 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.486 -0.864 . . . . 0.77 112.303 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -105.34 -19.81 13.68 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.924 0.342 . . . . 4.26 111.924 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 28.3 m -89.89 171.71 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.829 -0.348 . . . . 1.54 111.697 -174.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -144.64 -31.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.804 -0.635 . . . . 1.75 110.45 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.5 p -127.72 149.75 71.29 Favored Pre-proline 0 C--O 1.238 0.481 0 CA-C-N 115.683 -0.689 . . . . 1.12 111.18 -177.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.517 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 72.7 Cg_exo -52.48 -42.49 61.11 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.259 2.64 . . . . 0.42 112.805 176.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -54.1 -51.86 62.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 4.31 111.052 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -65.84 -43.62 87.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.02 -0.536 . . . . 2.43 110.998 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.9 tt -57.06 -44.59 83.15 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.017 -0.538 . . . . 1.84 110.012 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.511 ' HG ' ' OD1' ' A' ' 79' ' ' ASN . 27.9 tp -55.77 -41.19 73.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.497 -0.774 . . . . 1.74 111.52 -177.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -60.04 -33.74 72.45 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.122 -0.49 . . . . 1.43 111.447 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.494 ' HG ' HG13 ' A' ' 64' ' ' VAL . 4.4 mm? -63.48 -45.26 91.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.502 -0.317 . . . . 2.22 111.251 -178.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 24.5 mt -78.73 -37.21 20.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.549 -0.296 . . . . 1.15 110.446 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.511 ' OD1' ' HG ' ' A' ' 75' ' ' LEU . 9.1 m120 -61.25 -46.39 90.57 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.667 0.27 . . . . 1.67 110.692 177.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.67 -38.94 96.72 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.193 -0.527 . . . . 0.54 112.446 -177.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.92 -33.98 72.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.99 0.424 . . . . 1.22 111.056 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.6 mt -75.75 -34.08 60.26 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.824 -0.626 . . . . 1.53 110.949 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.27 -0.423 . . . . 1.34 111.611 -178.42 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 68.0 mt . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.697 0.284 . . . . 1.48 110.747 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.573 HD11 HD23 ' A' ' 52' ' ' LEU . 2.2 tt -83.33 121.83 27.66 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.165 -1.05 . . . . 1.62 108.165 174.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.8 p -121.96 -179.16 4.05 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.357 -0.537 . . . . 1.75 111.373 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.5 m -58.12 -34.43 70.21 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.357 -0.383 . . . . 1.8 111.186 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -68.92 -42.49 76.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.982 0.42 . . . . 2.19 110.585 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -63.14 -45.56 91.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.806 -0.633 . . . . 1.12 110.136 177.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.6 tp -61.84 -40.1 94.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.469 -0.787 . . . . 1.77 110.281 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 11' ' ' ARG . 16.8 ttp180 -53.27 -40.19 64.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.927 -0.579 . . . . 2.74 111.227 178.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -77.3 -37.81 51.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.642 -0.254 . . . . 4.33 111.368 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.48 -35.51 76.07 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.164 0.431 . . . . 1.24 112.164 -174.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.79 -26.49 60.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.942 0.401 . . . . 1.47 110.995 179.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.4 t -86.28 -24.81 6.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.953 0.406 . . . . 1.36 111.013 -178.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -85.5 -20.31 29.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.876 0.37 . . . . 1.49 110.893 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.438 ' HB3' ' HG3' ' A' ' 51' ' ' ARG . 11.6 p -88.93 -63.51 1.28 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.23 -0.441 . . . . 1.61 111.056 177.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 1.7 110.532 179.584 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 N--CA 1.461 0.099 0 CA-C-O 121.233 0.539 . . . . 2.2 109.556 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 t -102.87 29.91 5.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.848 -0.615 . . . . 2.49 109.99 -177.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -151.85 -152.17 5.84 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.735 -0.666 . . . . 1.85 111.843 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.2 82.53 2.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.526 0.203 . . . . 2.77 110.692 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -107.61 -9.66 15.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.658 0.266 . . . . 1.19 110.829 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.671 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 93.3 mt -54.42 -25.13 22.99 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 112.572 0.582 . . . . 1.4 112.572 -178.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -93.61 -18.17 22.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.976 0.417 . . . . 2.29 111.724 -171.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.8 mt -92.03 158.17 16.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.333 -0.394 . . . . 1.78 110.776 -177.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -71.83 142.19 49.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.489 0.185 . . . . 3.44 111.353 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -53.62 -53.8 46.66 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.152 -0.476 . . . . 0.68 110.928 174.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -60.17 -23.95 64.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.484 -0.78 . . . . 2.6 111.684 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -83.9 -28.43 27.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.326 -0.397 . . . . 2.03 111.102 -173.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.487 HG13 ' HD2' ' A' ' 40' ' ' TYR . 29.7 pt -90.19 18.05 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.06 0.457 . . . . 1.29 111.467 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.99 39.52 4.56 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 120.99 -0.624 . . . . 0.68 113.723 172.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.487 ' HD2' HG13 ' A' ' 38' ' ' ILE . 64.3 m-85 -125.4 160.18 30.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.121 0.46 . . . . 1.09 110.886 177.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -123.31 159.73 28.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.516 -0.765 . . . . 1.93 109.071 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.67 -41.58 43.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.588 0.555 . . . . 0.92 111.665 175.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.551 ' O ' ' HG3' ' A' ' 46' ' ' MET . 60.7 tp -57.78 -57.33 13.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 1.8 111.128 177.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.63 -36.84 84.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.764 0.316 . . . . 1.21 111.049 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.5 tp -62.26 -49.01 77.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.203 -0.453 . . . . 1.38 111.088 -178.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.551 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 5.0 ppp? -67.18 -35.92 80.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.628 -0.26 . . . . 1.79 111.1 -178.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -65.29 -35.12 80.05 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.885 0.374 . . . . 2.2 110.622 176.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 57.6 m -64.5 -34.32 77.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.262 -0.426 . . . . 1.25 111.392 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.2 -42.35 77.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.941 0.4 . . . . 1.17 111.223 -178.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.62 -27.08 68.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.847 -0.615 . . . . 1.2 110.794 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.815 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -71.04 -37.58 72.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.74 -0.664 . . . . 3.4 110.687 -179.599 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.573 HD23 HD11 ' A' ' 5' ' ' LEU . 88.4 mt -71.43 -48.1 51.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.044 0.45 . . . . 1.25 110.253 178.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.537 ' HA ' HG22 ' A' ' 58' ' ' VAL . 41.9 mt-10 -59.66 -45.27 92.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.399 -0.819 . . . . 0.51 111.494 -177.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.8 p -64.92 -33.37 75.87 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.278 0.473 . . . . 1.97 112.278 -178.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -71.6 -46.69 58.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.342 . . . . 2.83 111.667 -177.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -97.72 -17.32 19.48 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.899 0.333 . . . . 1.36 111.899 -172.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.48 40.63 12.61 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.522 -0.847 . . . . 0.58 111.724 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' A' ' 53' ' ' GLU . 34.9 m -108.85 -170.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 1.2 111.418 -177.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.491 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 64.6 m -153.05 130.36 11.29 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.916 -0.584 . . . . 2.17 109.513 175.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.442 HG21 ' HB2' ' A' ' 65' ' ' ALA . 60.0 mt -95.06 119.49 65.72 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.554 -0.294 . . . . 1.21 110.703 -178.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 19.4 Cg_exo -66.44 140.73 58.78 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.989 2.459 . . . . 0.96 112.674 -177.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -58.62 -27.05 64.34 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.603 -0.726 . . . . 1.99 112.388 -176.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.413 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 4.5 m-20 -74.75 -60.79 2.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.736 0.303 . . . . 2.44 111.271 -175.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.893 HG12 ' HG ' ' A' ' 77' ' ' LEU . 5.4 t -72.9 -23.43 20.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.941 -0.304 . . . . 1.77 111.487 -173.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.442 ' HB2' HG21 ' A' ' 60' ' ' ILE . . . -60.13 -38.51 83.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.085 0.469 . . . . 1.23 111.651 -177.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -91.3 -0.71 73.15 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.598 -0.81 . . . . 0.77 112.559 -177.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 92.9 mtt180 -102.26 1.49 35.88 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 121.062 -0.255 . . . . 4.26 111.669 -177.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.9 m -87.68 168.38 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.593 -0.443 . . . . 1.54 110.587 178.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -149.48 -50.27 0.14 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.48 0.657 . . . . 1.75 109.624 -177.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 34.8 p -105.38 149.9 38.31 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 114.942 -1.026 . . . . 1.12 111.009 176.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.671 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 53.2 Cg_exo -56.8 -32.68 92.42 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.467 2.778 . . . . 0.42 112.609 177.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.452 ' C ' ' HD3' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -56.11 -51.78 66.68 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.281 0.363 . . . . 4.31 110.254 179.507 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -66.9 -41.67 86.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.353 -0.385 . . . . 2.43 110.834 -177.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.1 tp -57.0 -53.37 58.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.064 -0.516 . . . . 1.84 110.273 176.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.0 tp -58.28 -48.02 81.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.778 -0.646 . . . . 1.74 110.74 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -57.63 -46.3 84.31 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.12 -0.491 . . . . 1.43 111.273 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.893 ' HG ' HG12 ' A' ' 64' ' ' VAL . 3.1 tm? -62.55 -45.36 93.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.231 -0.441 . . . . 2.22 110.135 -179.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.0 mt -67.98 -34.84 69.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 1.15 110.361 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.6 -41.57 98.32 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.677 0.275 . . . . 1.67 110.742 175.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -60.75 -34.1 85.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.169 -0.539 . . . . 0.54 112.094 176.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.2 -47.29 44.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.618 0.247 . . . . 1.22 110.56 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -62.52 -32.42 73.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 1.53 111.326 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.324 -0.398 . . . . 1.34 110.826 175.905 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.1 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.659 0.266 . . . . 1.48 110.504 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.478 HD11 HD11 ' A' ' 52' ' ' LEU . 3.5 tt -83.28 123.32 29.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.759 -0.83 . . . . 1.62 108.759 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.2 p -120.04 -174.41 2.76 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.555 -0.458 . . . . 1.75 112.196 -178.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.491 HG21 HD12 ' A' ' 31' ' ' LEU . 1.6 p -55.81 -56.53 19.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.496 -0.775 . . . . 1.8 111.833 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.89 -38.76 79.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.85 -1.068 . . . . 2.19 110.689 -178.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -64.33 -44.97 89.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.641 -0.708 . . . . 1.12 111.175 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.553 HD12 ' HB3' ' A' ' 71' ' ' PRO . 0.9 OUTLIER -54.99 -50.19 69.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.592 -0.731 . . . . 1.77 109.632 -178.637 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -52.84 -42.44 65.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.419 -0.809 . . . . 2.74 111.382 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 -63.47 -40.47 97.21 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 115.805 -0.634 . . . . 4.33 111.755 -177.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.495 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -60.01 -37.72 80.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.744 0.307 . . . . 1.24 110.685 -175.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.424 ' HB3' ' HH ' ' A' ' 40' ' ' TYR . 3.3 mm? -65.7 -48.37 72.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.976 -0.556 . . . . 1.47 110.933 178.051 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.4 t -67.86 -49.48 68.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.08 -0.509 . . . . 1.36 111.429 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -63.02 -23.84 67.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.376 -0.375 . . . . 1.49 111.433 -177.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.2 t -82.62 -62.9 1.48 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.559 -0.291 . . . . 1.61 110.851 178.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.304 -0.407 . . . . 1.7 111.319 -174.456 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 39.6 tp . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 121.065 0.46 . . . . 2.2 110.771 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.8 t -82.04 -1.21 47.67 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.186 0.517 . . . . 2.49 110.89 -176.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 171.52 -46.56 0.18 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.611 -0.804 . . . . 1.85 112.004 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.49 99.01 11.96 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.741 -0.466 . . . . 2.77 109.741 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -148.07 -31.74 0.28 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.241 0.46 . . . . 1.19 112.241 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.627 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 72.0 mt -55.62 -27.58 50.4 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.584 0.587 . . . . 1.4 112.584 -178.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -92.21 -19.13 22.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.636 0.255 . . . . 2.29 111.58 -173.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -89.05 143.07 27.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.461 -0.336 . . . . 1.78 110.386 -176.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -70.77 145.53 50.36 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.595 -0.52 . . . . 3.44 109.595 177.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -52.54 -40.87 62.98 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.976 0.417 . . . . 0.68 111.434 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -60.03 -33.09 71.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.884 -0.598 . . . . 2.6 111.107 178.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -84.66 -23.94 29.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.818 -0.628 . . . . 2.03 110.339 -170.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.499 HG13 ' HD1' ' A' ' 40' ' ' TYR . 21.3 pt -90.85 9.4 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 116.192 -0.458 . . . . 1.29 110.869 176.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.86 26.21 35.53 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.928 -0.653 . . . . 0.68 114.378 170.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.499 ' HD1' HG13 ' A' ' 38' ' ' ILE . 59.3 m-85 -105.11 115.0 29.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 117.835 0.817 . . . . 1.09 111.016 178.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.2 179.62 7.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.947 -1.024 . . . . 1.93 111.292 -175.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 63.7 p -50.78 -60.42 3.07 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.368 -0.833 . . . . 0.92 111.657 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.43 ' O ' ' HG3' ' A' ' 46' ' ' MET . 58.3 tp -53.38 -51.01 63.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.454 -0.794 . . . . 1.8 111.434 -179.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.87 97.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.118 -0.492 . . . . 1.21 111.464 -175.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.4 tp -68.21 -43.22 78.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.163 -0.472 . . . . 1.38 111.599 -176.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 4.7 ppp? -70.66 -31.75 68.78 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.762 -0.375 . . . . 1.79 111.07 -176.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -66.44 -37.14 84.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.054 0.454 . . . . 2.2 110.661 173.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.498 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 37.7 m -61.62 -39.12 90.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.724 -0.671 . . . . 1.25 110.715 178.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.44 -48.24 79.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 1.17 110.922 177.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.38 -30.3 70.45 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.893 -0.594 . . . . 1.2 110.718 -177.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.498 ' HB2' ' O ' ' A' ' 48' ' ' THR . 23.1 mmm180 -58.48 -55.16 38.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.754 -0.657 . . . . 3.4 110.81 176.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.495 HD23 ' HB3' ' A' ' 13' ' ' ALA . 90.2 mt -64.58 -43.0 95.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.462 -0.335 . . . . 1.25 111.152 -176.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.617 ' HA ' HG21 ' A' ' 58' ' ' VAL . 46.9 mt-10 -58.02 -56.48 21.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.51 110.891 -178.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.8 m -67.75 -27.25 66.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.008 -0.542 . . . . 1.97 111.695 -177.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -72.16 -46.89 54.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 2.83 111.419 -175.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -94.24 -21.5 19.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.556 -0.293 . . . . 1.36 111.433 -177.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.13 47.93 3.71 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.707 -0.758 . . . . 0.58 111.355 -175.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.617 HG21 ' HA ' ' A' ' 53' ' ' GLU . 17.9 m -124.41 -171.55 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.767 0.317 . . . . 1.2 110.652 -178.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.8 m -151.57 132.77 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.555 -0.535 . . . . 2.17 109.555 174.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 67.5 mt -94.59 124.64 54.46 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 110.257 -0.275 . . . . 1.21 110.257 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.491 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 50.9 Cg_exo -55.42 133.39 57.83 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.925 2.416 . . . . 0.96 111.967 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.2 -53.1 58.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.675 -0.693 . . . . 1.99 112.319 -171.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -79.91 -31.13 40.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.785 0.326 . . . . 2.44 111.738 -174.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.491 ' HB ' ' HB2' ' A' ' 61' ' ' PRO . 30.7 t -74.65 -18.86 16.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.983 0.42 . . . . 1.77 110.555 -178.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.45 -29.56 70.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.167 0.508 . . . . 1.23 111.16 178.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.81 20.2 40.55 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.091 -0.576 . . . . 0.77 112.395 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.423 ' HA ' ' NE ' ' A' ' 67' ' ' ARG . 4.6 mmp_? -117.66 26.87 9.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.593 0.235 . . . . 4.26 110.746 -178.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.737 HG22 HD21 ' A' ' 74' ' ' LEU . 13.8 m -136.3 107.36 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.321 0.582 . . . . 1.54 110.951 -178.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -91.89 -42.07 10.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 1.75 111.181 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.424 ' OG1' ' HG2' ' A' ' 73' ' ' GLU . 69.9 p -105.87 142.68 25.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.318 -0.401 . . . . 1.12 110.952 -179.147 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.627 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 86.9 Cg_exo -52.33 -33.46 55.94 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 123.291 2.661 . . . . 0.42 112.883 177.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -53.99 -52.98 59.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.368 -0.378 . . . . 4.31 111.021 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.424 ' HG2' ' OG1' ' A' ' 70' ' ' THR . 20.4 mm-40 -67.23 -40.98 86.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.779 -0.646 . . . . 2.43 110.448 -178.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.737 HD21 HG22 ' A' ' 68' ' ' VAL . 3.2 tm? -59.16 -45.52 90.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 1.84 110.097 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 tt -57.99 -46.08 85.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.764 -0.653 . . . . 1.74 110.366 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -67.25 -37.7 83.95 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.069 -0.514 . . . . 1.43 111.034 -178.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.92 -48.44 81.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.19 -0.459 . . . . 2.22 111.016 -178.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.4 mt -68.26 -38.0 78.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.258 -0.428 . . . . 1.15 110.641 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -63.78 -38.39 90.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.446 -0.343 . . . . 1.67 110.797 177.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.74 -35.12 91.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.261 -0.495 . . . . 0.54 112.365 178.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.4 -27.82 62.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 1.22 110.598 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.6 mt -78.57 -39.33 37.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.269 -0.423 . . . . 1.53 110.365 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.169 0 CA-C-N 115.972 -0.558 . . . . 1.34 111.046 178.768 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.8 mt . . . . . 0 CA--C 1.521 -0.166 0 N-CA-C 110.264 -0.273 . . . . 1.48 110.264 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.551 HD11 HD13 ' A' ' 52' ' ' LEU . 6.5 tt -90.61 122.09 33.1 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.707 -0.849 . . . . 1.62 108.707 175.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.2 t -114.79 169.82 8.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.016 0.436 . . . . 1.75 111.269 -178.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -56.82 -39.62 74.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.483 -0.781 . . . . 1.8 112.019 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -60.53 -45.99 91.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.861 -0.609 . . . . 2.19 110.605 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -65.1 -38.95 92.34 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.903 -0.59 . . . . 1.12 111.229 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' A' ' 71' ' ' PRO . 20.5 tp -60.67 -45.75 92.96 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.318 -0.401 . . . . 1.77 110.068 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -56.46 -49.72 73.8 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.137 -0.483 . . . . 2.74 111.855 178.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -71.43 -30.28 65.88 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.832 0.308 . . . . 4.33 111.832 -176.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.48 -36.6 80.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.606 -0.27 . . . . 1.24 111.633 -174.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.537 HD12 HG21 ' A' ' 48' ' ' THR . 4.4 mm? -66.27 -27.32 67.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.158 0.504 . . . . 1.47 110.904 179.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.7 t -86.72 -32.93 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.071 -0.513 . . . . 1.36 110.566 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -78.21 -12.71 60.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.735 -0.666 . . . . 1.49 111.671 -178.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.514 ' HB3' ' HA ' ' A' ' 48' ' ' THR . 13.8 p -85.09 -62.3 1.57 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.784 0.326 . . . . 1.61 110.831 175.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 1.7 111.576 -177.8 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 CA--C 1.519 -0.219 0 N-CA-C 108.996 -0.742 . . . . 2.2 108.996 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 p -98.76 18.26 17.4 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.853 -1.067 . . . . 2.49 112.578 -172.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 173.04 133.86 1.73 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 119.545 -1.312 . . . . 1.85 113.592 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 55.12 29.15 12.02 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.193 0.812 . . . . 2.77 113.193 172.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -83.55 -20.8 33.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.474 -0.33 . . . . 1.19 111.207 -175.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.569 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 44.8 mt -58.37 -28.01 64.75 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.188 0.44 . . . . 1.4 112.188 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -93.49 -18.69 22.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.233 0.539 . . . . 2.29 110.781 -176.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.5 mt -85.24 132.43 34.27 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.937 -0.574 . . . . 1.78 109.922 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -69.0 154.39 42.15 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.098 -0.334 . . . . 3.44 110.098 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -53.76 -26.29 22.85 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.209 0.528 . . . . 0.68 110.886 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -58.49 -36.77 74.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.318 -0.856 . . . . 2.6 111.955 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -85.26 -27.46 26.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.895 0.379 . . . . 2.03 111.093 -173.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.462 HG13 ' HD2' ' A' ' 40' ' ' TYR . 23.7 pt -90.29 11.07 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.436 -0.347 . . . . 1.29 111.479 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.12 49.5 57.48 Favored Glycine 0 C--N 1.332 0.352 0 CA-C-N 116.01 -0.541 . . . . 0.68 113.82 172.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.462 ' HD2' HG13 ' A' ' 38' ' ' ILE . 37.1 m-85 -121.49 123.64 42.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.283 0.542 . . . . 1.09 111.841 176.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -80.36 164.11 23.37 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.305 -0.861 . . . . 1.93 111.472 177.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.3 p -52.06 -51.39 57.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.993 -1.003 . . . . 0.92 112.22 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.515 ' O ' ' HG2' ' A' ' 46' ' ' MET . 31.3 tp -57.69 -50.55 72.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.646 -0.706 . . . . 1.8 111.316 -177.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.07 77.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.189 0.519 . . . . 1.21 110.412 -179.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.2 tp -63.84 -48.56 76.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.776 -0.647 . . . . 1.38 110.777 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.515 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 22.0 ptm -66.34 -32.67 74.21 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.69 0.281 . . . . 1.79 111.094 -177.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -66.46 -39.13 88.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.995 0.426 . . . . 2.2 110.462 176.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.537 HG21 HD12 ' A' ' 14' ' ' LEU . 25.7 m -62.6 -32.91 74.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.867 -0.606 . . . . 1.25 111.048 177.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.602 ' HB2' HD11 ' A' ' 60' ' ' ILE . . . -57.05 -45.94 82.81 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.003 -0.544 . . . . 1.17 111.338 177.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.91 -29.7 69.75 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.859 -0.61 . . . . 1.2 111.059 -175.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -61.63 -51.25 69.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.55 -0.75 . . . . 3.4 110.388 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.551 HD13 HD11 ' A' ' 5' ' ' LEU . 96.4 mt -70.91 -36.86 72.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.664 -0.698 . . . . 1.25 111.156 -177.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.581 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 49.0 mt-10 -57.66 -58.75 6.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.232 -0.44 . . . . 0.51 110.988 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.3 t -65.16 -35.04 79.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.023 -0.535 . . . . 1.97 111.534 -176.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -70.68 -45.19 65.5 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.115 0.413 . . . . 2.83 112.115 -173.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -106.68 13.07 28.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.035 0.383 . . . . 1.36 112.035 -175.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.24 39.99 97.56 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 121.045 -0.597 . . . . 0.58 112.769 175.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.581 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 29.0 m -116.59 -174.25 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 110.158 -0.312 . . . . 1.2 110.158 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.402 ' HA ' ' HG2' ' A' ' 53' ' ' GLU . 7.2 t -155.42 130.78 9.62 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.109 -0.701 . . . . 2.17 109.109 173.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.602 HD11 ' HB2' ' A' ' 49' ' ' ALA . 58.4 mt -93.89 113.4 60.41 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-O 120.83 0.348 . . . . 1.21 110.327 -176.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 31.1 Cg_exo -62.03 131.54 35.29 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.965 2.443 . . . . 0.96 112.77 -177.104 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -55.59 -30.08 60.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.215 -0.902 . . . . 1.99 111.28 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -75.26 -50.57 15.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.92 -0.582 . . . . 2.44 111.392 -176.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.3 t -74.06 -25.78 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 1.77 111.279 -174.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.429 ' O ' HG13 ' A' ' 68' ' ' VAL . . . -60.66 -38.92 86.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.093 -0.503 . . . . 1.23 112.057 -177.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.62 37.85 2.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.009 -0.615 . . . . 0.77 113.099 -176.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -141.74 -5.28 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.661 -0.317 . . . . 4.26 110.992 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.737 HG11 HD21 ' A' ' 74' ' ' LEU . 7.4 p -102.05 116.35 45.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.582 0.706 . . . . 1.54 111.863 -173.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -95.05 -36.63 11.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.737 -0.665 . . . . 1.75 110.916 175.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.9 p -108.56 135.09 20.06 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.672 -0.694 . . . . 1.12 112.174 -172.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.569 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 57.7 Cg_exo -53.32 -27.42 38.83 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.528 2.819 . . . . 0.42 112.983 176.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.12 -57.02 12.69 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.884 0.373 . . . . 4.31 110.566 176.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.575 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 20.9 mm-40 -62.0 -40.9 97.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.832 -0.622 . . . . 2.43 110.892 -178.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.737 HD21 HG11 ' A' ' 68' ' ' VAL . 1.5 tm? -58.2 -50.85 72.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.886 -0.597 . . . . 1.84 110.137 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.4 tt -58.84 -44.65 91.01 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.892 -0.595 . . . . 1.74 110.882 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.51 -36.28 80.76 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.397 0.517 . . . . 1.43 112.397 -177.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 94.4 mt -62.83 -47.07 85.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.96 0.409 . . . . 2.22 110.428 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.8 mt -70.21 -39.16 76.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.187 -0.461 . . . . 1.15 110.79 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -68.1 -28.56 67.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.543 -0.299 . . . . 1.67 111.48 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.23 -38.66 95.4 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 121.327 -0.463 . . . . 0.54 112.152 178.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.06 -33.7 65.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.04 0.448 . . . . 1.22 110.614 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.2 mt -82.75 -8.23 59.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.018 -0.537 . . . . 1.53 111.605 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.041 0.448 . . . . 1.34 110.988 -179.817 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 51.0 mt . . . . . 0 CA--C 1.528 0.115 0 CA-C-O 120.699 0.285 . . . . 1.48 110.54 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.6 HD13 HD21 ' A' ' 52' ' ' LEU . 3.1 tt -80.01 122.81 27.2 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.449 -0.945 . . . . 1.62 108.449 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.5 p -109.01 176.11 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.753 0.311 . . . . 1.75 111.326 -176.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -61.69 -54.07 47.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 1.8 111.641 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -67.62 -27.96 67.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.649 -0.251 . . . . 2.19 111.016 -178.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.642 ' HB3' ' OH ' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -62.21 -51.95 65.73 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.338 0.59 . . . . 1.12 109.91 171.032 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.426 ' HG ' HD21 ' A' ' 14' ' ' LEU . 21.6 tp -61.02 -39.89 91.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.269 -0.878 . . . . 1.77 110.776 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -51.99 -39.78 59.94 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.722 -0.672 . . . . 2.74 111.365 177.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.841 ' HA ' ' HE ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -78.24 -40.46 37.16 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.507 -0.315 . . . . 4.33 111.121 -179.719 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.54 98.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.192 -0.458 . . . . 1.24 111.836 -175.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.553 HD13 HG23 ' A' ' 48' ' ' THR . 4.4 mm? -59.99 -43.92 94.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.953 0.406 . . . . 1.47 111.082 177.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.9 t -67.05 -39.4 83.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 1.36 111.095 -177.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 45.5 mt-10 -59.19 -36.81 76.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 1.49 111.063 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 t -85.71 -1.97 57.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.209 -0.45 . . . . 1.61 111.612 -177.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.795 0.331 . . . . 1.7 111.883 -177.63 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.8 mp . . . . . 0 CA--C 1.53 0.185 0 N-CA-C 111.822 0.304 . . . . 2.2 111.822 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.0 m -95.85 -48.78 5.6 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.666 0.269 . . . . 2.49 111.171 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.52 46.03 3.49 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 121.143 -0.551 . . . . 1.85 113.346 -174.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 61.97 104.31 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.764 0.793 . . . . 2.77 112.34 176.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -110.38 1.8 18.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.049 -0.978 . . . . 1.19 111.467 -172.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.507 ' O ' ' HB ' ' A' ' 70' ' ' THR . 26.5 mt -53.23 -37.13 61.77 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.086 0.773 . . . . 1.4 113.086 -174.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -92.13 1.08 57.43 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.932 0.345 . . . . 2.29 111.932 -176.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.8 mt -92.35 132.25 36.88 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.29 -0.634 . . . . 1.78 109.29 174.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -71.43 164.61 25.46 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.875 -0.33 . . . . 3.44 110.161 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -58.06 -29.63 65.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.901 0.381 . . . . 0.68 110.121 174.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -58.97 -32.19 69.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.461 -0.791 . . . . 2.6 111.526 172.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -80.45 -40.57 26.03 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.328 -0.397 . . . . 2.03 110.411 -175.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.402 HG13 ' HD1' ' A' ' 40' ' ' TYR . 23.7 pt -89.66 6.69 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.282 -0.417 . . . . 1.29 111.678 -178.376 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.13 45.55 95.17 Favored Glycine 0 CA--C 1.518 0.254 0 CA-C-N 115.94 -0.573 . . . . 0.68 114.063 173.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.402 ' HD1' HG13 ' A' ' 38' ' ' ILE . 22.9 m-85 -110.99 113.48 26.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.395 0.617 . . . . 1.09 111.506 178.153 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.89 164.17 24.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.854 -1.066 . . . . 1.93 111.808 -178.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.1 p -49.58 -53.62 22.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.808 -1.087 . . . . 0.92 111.573 174.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.401 ' O ' ' HG2' ' A' ' 46' ' ' MET . 54.1 tp -58.49 -40.3 82.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.335 -0.848 . . . . 1.8 110.954 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.68 95.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.083 0.468 . . . . 1.21 110.499 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.99 -48.33 79.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.635 -0.711 . . . . 1.38 111.56 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.401 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 27.3 ptm -64.7 -34.49 78.44 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.948 -0.301 . . . . 1.79 110.926 -177.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -67.53 -42.72 82.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.358 . . . . 2.2 110.168 174.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.553 HG23 HD13 ' A' ' 14' ' ' LEU . 43.3 m -63.47 -36.51 83.98 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.108 -0.496 . . . . 1.25 111.61 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.462 ' HB3' HD13 ' A' ' 60' ' ' ILE . . . -54.84 -40.6 69.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.366 -0.379 . . . . 1.17 111.488 -178.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.94 -31.83 72.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.042 -0.526 . . . . 1.2 111.1 -176.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -69.33 -44.23 72.09 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.622 -0.717 . . . . 3.4 109.774 -177.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.6 HD21 HD13 ' A' ' 5' ' ' LEU . 48.2 mt -68.53 -48.1 65.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.576 -0.738 . . . . 1.25 110.486 -178.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.52 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 53.0 mt-10 -57.34 -51.89 67.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.884 -0.598 . . . . 0.51 111.145 -177.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.7 t -66.36 -42.79 87.53 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.524 -0.307 . . . . 1.97 111.344 -176.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -70.83 -48.78 52.21 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.285 0.476 . . . . 2.83 112.285 -174.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.642 ' OH ' ' HB3' ' A' ' 9' ' ' ASP . 70.7 m-85 -94.36 6.89 47.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.935 0.398 . . . . 1.36 111.142 -172.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 65.88 44.07 92.6 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.655 -0.702 . . . . 0.58 112.562 175.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.52 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 32.9 m -126.71 -176.06 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.076 0.465 . . . . 1.2 111.253 -176.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.4 p -150.39 135.48 17.77 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 108.732 -0.84 . . . . 2.17 108.732 172.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.462 HD13 ' HB3' ' A' ' 49' ' ' ALA . 60.8 mt -91.52 116.71 66.98 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 110.152 -0.314 . . . . 1.21 110.152 -177.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.15 127.27 24.44 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.09 2.527 . . . . 0.96 112.087 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -61.92 -19.3 62.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.689 -0.687 . . . . 1.99 112.175 -175.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -78.18 -53.76 6.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.006 0.432 . . . . 2.44 110.733 175.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.1 t -74.87 -19.51 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.951 -0.568 . . . . 1.77 111.412 -174.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.5 -39.74 84.81 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.123 0.487 . . . . 1.23 111.472 -177.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.13 35.52 4.73 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.456 -0.878 . . . . 0.77 112.419 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -142.5 42.84 1.62 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.754 0.311 . . . . 4.26 110.802 -177.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.516 HG21 HD22 ' A' ' 74' ' ' LEU . 22.3 m -140.73 166.47 18.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.245 -0.434 . . . . 1.54 110.876 179.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -138.24 -43.84 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 1.75 110.991 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.507 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 77.1 p -107.56 149.64 39.13 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.959 -0.564 . . . . 1.12 111.585 -176.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -57.73 -26.47 73.32 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.81 2.34 . . . . 0.42 111.92 172.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.545 ' HA ' ' HE ' ' A' ' 72' ' ' ARG . 1.1 tpm_? -53.89 -55.75 23.96 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.754 0.311 . . . . 4.31 110.163 174.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -63.66 -46.99 83.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.189 -0.914 . . . . 2.43 110.537 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.516 HD22 HG21 ' A' ' 68' ' ' VAL . 1.4 tm? -58.53 -51.25 70.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.735 -0.666 . . . . 1.84 110.775 -178.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.7 tp -59.18 -44.1 92.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.946 -0.57 . . . . 1.74 111.25 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.77 -36.88 83.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.791 -0.64 . . . . 1.43 111.023 -175.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.28 -52.33 64.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.034 -0.53 . . . . 2.22 110.065 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.0 mt -63.56 -46.65 94.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 1.15 110.823 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -60.64 -38.33 84.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 1.67 111.235 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.62 -37.13 93.27 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 121.117 -0.563 . . . . 0.54 112.339 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.42 -28.89 64.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.013 0.435 . . . . 1.22 110.902 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.408 HD22 ' CG1' ' A' ' 58' ' ' VAL . 67.4 mt -73.87 -19.43 60.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.044 -0.526 . . . . 1.53 111.241 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.461 -0.336 . . . . 1.34 111.639 -179.02 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.671 0.272 . . . . 5.43 110.386 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.6 163.31 39.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.385 -0.371 . . . . 2.67 110.535 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.4 m -81.34 106.23 13.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.907 0.384 . . . . 2.6 110.624 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.4 mt -81.24 166.79 20.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 1.48 111.485 -179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.627 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 1.2 tt -85.2 123.75 31.07 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.591 -0.522 . . . . 1.62 109.591 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.526 ' OG1' ' HB2' ' A' ' 9' ' ' ASP . 67.9 p -106.15 173.53 6.27 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.138 -0.225 . . . . 1.75 111.437 -177.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.3 p -59.23 -56.78 17.74 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.265 0.555 . . . . 1.8 110.94 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.555 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 32.2 t70 -62.93 -38.73 92.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.49 -0.777 . . . . 2.19 111.085 -177.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.526 ' HB2' ' OG1' ' A' ' 6' ' ' THR . 0.2 OUTLIER -61.31 -44.94 96.37 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.752 0.311 . . . . 1.12 110.36 178.564 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.4 tp -62.74 -46.46 87.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 1.77 109.851 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -55.5 -41.9 73.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.583 -0.735 . . . . 2.74 111.08 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.555 ' HG2' ' O ' ' A' ' 8' ' ' ASP . 23.9 mmm180 -68.17 -43.47 78.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.315 -0.402 . . . . 4.33 110.892 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.3 -41.42 93.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.451 -0.341 . . . . 1.24 111.896 -173.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 40' ' ' TYR . 4.3 mm? -59.82 -45.57 91.96 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.976 0.417 . . . . 1.47 110.678 176.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 52.8 t -67.66 -48.02 77.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.855 -0.611 . . . . 1.36 110.845 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 47.3 mt-10 -57.69 -29.96 65.09 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.22 -0.445 . . . . 1.49 111.556 -177.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.479 ' OG ' ' HG3' ' A' ' 51' ' ' ARG . 18.1 m -81.61 -54.6 5.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.967 0.413 . . . . 1.61 111.405 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.65 ' HB3' ' HG2' ' A' ' 20' ' ' GLU . . . -81.13 -63.73 1.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.903 0.382 . . . . 1.7 111.607 -174.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.55 -2.69 65.12 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.504 -0.855 . . . . 2.14 111.744 -175.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.65 ' HG2' ' HB3' ' A' ' 18' ' ' ALA . 33.0 mm-40 -66.14 108.4 2.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.582 -0.525 . . . . 5.47 109.582 177.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -125.58 31.9 5.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.58 0.705 . . . . 4.86 110.509 -177.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -123.19 120.76 34.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.9 -0.591 . . . . 4.4 110.562 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.72 -42.83 3.13 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.644 -0.789 . . . . 2.96 112.962 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.4 t -93.95 119.14 32.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.449 0.643 . . . . 3.4 111.31 -178.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -114.73 114.4 25.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.935 -0.575 . . . . 2.76 110.593 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.3 mp -89.7 14.67 11.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.037 -0.528 . . . . 2.2 110.343 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.2 m -83.62 11.53 7.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.876 -0.602 . . . . 2.49 110.988 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.61 -117.46 1.75 Allowed Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.605 -0.807 . . . . 1.85 112.199 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -108.16 108.69 19.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.195 0.521 . . . . 2.77 110.456 -178.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -121.24 -30.94 4.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.39 -0.823 . . . . 1.19 111.22 -174.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.3 mt -57.22 -30.37 64.54 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.613 0.597 . . . . 1.4 112.613 -177.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -90.62 -17.45 26.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.58 -0.282 . . . . 2.29 111.239 -175.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.0 mt -86.68 150.33 24.27 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.904 -0.406 . . . . 1.78 109.904 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.514 ' HG2' ' OD2' ' A' ' 69' ' ' ASP . 64.3 mtm180 -73.87 161.89 29.67 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.617 -0.512 . . . . 3.44 109.617 177.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -54.78 -46.6 74.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.992 0.425 . . . . 0.68 111.062 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -65.47 -22.27 66.73 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.117 -0.492 . . . . 2.6 112.197 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -79.38 -32.91 43.19 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.873 -0.417 . . . . 2.03 109.873 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.468 HG13 ' HD1' ' A' ' 40' ' ' TYR . 15.6 pt -88.93 14.95 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 1.29 110.916 176.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.49 32.18 62.35 Favored Glycine 0 CA--C 1.518 0.233 0 CA-C-N 115.58 -0.736 . . . . 0.68 113.766 172.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 43.6 m-85 -109.3 118.87 37.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.193 0.521 . . . . 1.09 111.47 178.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.1 150.76 47.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.078 -0.965 . . . . 1.93 110.519 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.8 p -52.89 -45.12 67.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.131 -0.486 . . . . 0.92 111.736 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -64.0 -49.39 72.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.001 -0.545 . . . . 1.8 110.255 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.04 -31.37 72.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.231 0.539 . . . . 1.21 110.502 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.646 ' HG ' ' H6A' ' A' ' 87' ' ' SXO . 47.3 tp -65.65 -46.6 78.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.588 -0.733 . . . . 1.38 111.194 177.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.1 ptm -71.15 -25.33 62.51 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.517 -0.473 . . . . 1.79 110.694 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 43.5 mt-10 -64.54 -41.47 96.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.017 0.437 . . . . 2.2 109.829 171.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.433 HG23 HD21 ' A' ' 14' ' ' LEU . 42.0 m -61.07 -39.88 91.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.308 -0.86 . . . . 1.25 110.606 177.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.51 ' HB2' HD12 ' A' ' 60' ' ' ILE . . . -56.73 -42.13 78.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.76 -0.655 . . . . 1.17 111.245 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.16 -32.85 73.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.305 0.574 . . . . 1.2 110.436 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.479 ' HG3' ' OG ' ' A' ' 17' ' ' SER . 10.3 mmt180 -68.19 -39.08 82.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.642 -0.708 . . . . 3.4 110.195 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.7 mt -62.54 -48.98 77.13 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.751 -0.659 . . . . 1.25 110.134 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.516 ' OE2' ' HA ' ' A' ' 59' ' ' SER . 55.2 mt-10 -58.6 -43.77 89.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.677 -0.692 . . . . 0.51 110.692 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.0 m -67.24 -25.53 66.13 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.334 0.494 . . . . 1.97 112.334 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -89.89 -47.81 7.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.976 0.417 . . . . 2.83 111.415 -175.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.627 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 68.7 m-85 -96.75 -6.17 36.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.252 -0.431 . . . . 1.36 111.632 -173.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.08 24.77 72.92 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.83 -0.7 . . . . 0.58 112.114 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.6 m -97.99 -171.34 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.756 0.312 . . . . 1.2 110.617 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.516 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 7.0 t -157.71 132.19 8.4 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.324 -0.621 . . . . 2.17 109.324 174.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.608 HG23 ' H8 ' ' A' ' 87' ' ' SXO . 56.1 mt -97.57 120.89 59.7 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.291 -0.413 . . . . 1.21 110.934 -176.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 36.9 Cg_exo -63.2 154.66 66.27 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.564 2.843 . . . . 0.96 113.68 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -58.38 -56.96 15.35 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.04 -0.982 . . . . 1.99 112.908 -174.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -72.01 -40.0 68.79 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.673 0.273 . . . . 2.44 111.587 -169.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.1 p -73.26 -23.84 20.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.77 -0.372 . . . . 1.77 110.995 -175.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.414 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -61.9 -40.18 94.55 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.104 0.478 . . . . 1.23 111.127 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.18 1.32 84.54 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.85 -0.691 . . . . 0.77 112.751 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -100.65 0.38 39.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.502 -0.41 . . . . 4.26 111.781 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 65' ' ' ALA . 28.3 m -91.33 172.3 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.747 -0.381 . . . . 1.54 110.355 176.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.514 ' OD2' ' HG2' ' A' ' 34' ' ' ARG . 34.1 t70 -147.71 -47.9 0.17 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.302 -0.408 . . . . 1.75 110.957 -174.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.5 p -110.65 149.68 40.65 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.43 -0.35 . . . . 1.12 111.083 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -52.98 -37.07 77.99 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.639 2.893 . . . . 0.42 113.23 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.502 ' HD2' ' OE2' ' A' ' 73' ' ' GLU . 15.9 ttm180 -54.87 -50.44 68.69 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.463 -0.335 . . . . 4.31 110.727 -179.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.502 ' OE2' ' HD2' ' A' ' 72' ' ' ARG . 16.8 mm-40 -64.74 -34.3 77.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.818 -0.628 . . . . 2.43 110.667 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.89 -47.96 75.95 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.215 -0.661 . . . . 1.84 109.215 176.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 40.9 tp -57.88 -50.35 73.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.509 -0.769 . . . . 1.74 110.265 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.66 -42.38 83.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.474 -0.785 . . . . 1.43 111.122 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.42 -51.97 66.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.874 -0.603 . . . . 2.22 111.248 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.9 mt -70.51 -34.85 59.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.558 -0.292 . . . . 1.15 110.821 -176.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.37 -47.02 86.0 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.878 0.37 . . . . 1.67 110.259 174.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.475 ' O ' ' HG3' ' A' ' 84' ' ' GLU . . . -65.16 -35.01 91.19 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.802 -0.636 . . . . 0.54 112.522 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.18 -34.52 75.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.701 0.286 . . . . 1.22 111.037 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.5 mt -72.37 -33.18 67.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.955 0.407 . . . . 1.53 110.45 176.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.97 -19.82 65.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.86 -0.609 . . . . 1.34 111.521 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 80' ' ' GLY . 44.6 mt-10 -84.48 -3.27 58.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.392 . . . . 2.67 110.724 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -105.36 142.5 35.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.184 -0.462 . . . . 2.45 110.472 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.217 -0.897 . . . . 3.82 110.129 179.525 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SXO . . . . . 0.646 ' H6A' ' HG ' ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 109.798 -0.445 . . . . 5.43 109.798 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.42 96.82 6.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.927 0.394 . . . . 2.67 110.687 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.5 p -75.68 105.21 6.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.117 -0.492 . . . . 2.6 110.398 177.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.451 HD22 HD11 ' A' ' 82' ' ' LEU . 35.5 mt -79.69 172.59 13.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.02 -0.536 . . . . 1.48 110.745 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.595 HD12 HD23 ' A' ' 52' ' ' LEU . 0.8 OUTLIER -80.9 124.4 29.08 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.378 -0.601 . . . . 1.62 109.378 -177.834 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.2 p -102.43 177.89 4.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.739 0.304 . . . . 1.75 111.193 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.5 p -58.61 -56.01 27.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.555 0.693 . . . . 1.8 111.219 175.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.545 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 2.4 m-20 -65.6 -42.73 91.32 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.037 -0.983 . . . . 2.19 111.305 -174.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -62.63 -33.86 75.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.654 0.264 . . . . 1.12 111.009 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.21 -52.51 54.25 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.376 -0.602 . . . . 1.77 109.376 177.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 11' ' ' ARG . 41.6 ttp180 -56.63 -39.61 73.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.296 -0.865 . . . . 2.74 111.27 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 77.8 mtp180 -64.21 -39.62 94.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 4.33 111.367 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.9 -32.88 72.33 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.823 0.344 . . . . 1.24 110.969 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.445 HD12 HG21 ' A' ' 48' ' ' THR . 4.2 mm? -65.17 -53.83 38.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.006 -0.543 . . . . 1.47 110.224 174.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.809 HG11 ' HA3' ' A' ' 19' ' ' GLY . 92.3 t -64.95 -40.32 88.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.737 -0.665 . . . . 1.36 111.863 -176.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -62.1 -28.26 69.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.972 0.415 . . . . 1.49 111.011 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.2 m -85.76 -42.59 14.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.991 0.424 . . . . 1.61 110.365 174.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -158.76 104.53 1.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.666 -0.697 . . . . 1.7 110.435 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.809 ' HA3' HG11 ' A' ' 15' ' ' VAL . . . -127.47 71.39 0.49 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.315 -0.945 . . . . 2.14 113.236 -176.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.483 ' O ' ' HB ' ' A' ' 24' ' ' THR . 35.3 tt0 -80.63 119.47 23.3 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.81 -0.441 . . . . 5.47 109.81 177.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.8 p -95.02 13.76 24.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.219 0.533 . . . . 4.86 112.11 -175.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -79.78 -47.75 14.71 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.518 -0.765 . . . . 4.4 111.189 -177.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.94 17.07 1.57 Allowed Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.421 -0.895 . . . . 2.96 112.694 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.483 ' HB ' ' O ' ' A' ' 20' ' ' GLU . 24.5 m -110.6 95.73 5.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.113 0.482 . . . . 3.4 109.868 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -98.51 118.35 35.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.987 -0.551 . . . . 2.76 110.612 -176.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -116.55 30.18 7.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.251 -0.431 . . . . 2.2 110.745 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -88.17 -8.35 55.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.284 -0.416 . . . . 2.49 110.915 -176.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -102.94 -161.42 25.65 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.772 -0.728 . . . . 1.85 113.204 -175.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -74.83 77.46 2.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.973 0.416 . . . . 2.77 110.692 -178.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -74.66 -27.94 60.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.319 -0.401 . . . . 1.19 111.082 -176.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.461 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 96.3 mt -56.09 -31.56 63.35 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.452 0.538 . . . . 1.4 112.452 -178.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -94.23 -9.0 37.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.443 -0.344 . . . . 2.29 111.55 -177.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.9 mt -91.47 138.86 31.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.64 -0.255 . . . . 1.78 110.395 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -73.28 163.56 27.92 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.826 -0.435 . . . . 3.44 109.826 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -58.22 -35.53 71.81 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.415 -0.357 . . . . 0.68 111.385 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -61.15 -33.88 74.13 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.683 -0.235 . . . . 2.6 111.553 174.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -81.91 -27.81 33.18 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.77 0.319 . . . . 2.03 110.618 -172.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.8 pt -88.81 8.17 3.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.949 0.404 . . . . 1.29 110.977 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 60.62 47.81 89.35 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.764 -0.653 . . . . 0.68 113.573 175.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -113.75 119.06 36.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.053 0.454 . . . . 1.09 111.191 176.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -64.37 147.58 52.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.215 -0.902 . . . . 1.93 111.362 178.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.2 p -51.37 -44.62 62.17 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.836 -0.62 . . . . 0.92 111.164 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.702 HD11 ' HE2' ' A' ' 46' ' ' MET . 35.8 tp -55.2 -51.5 66.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.768 -0.651 . . . . 1.8 110.888 178.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.97 -30.71 71.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.053 -0.522 . . . . 1.21 110.95 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.0 tp -68.84 -44.21 73.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.935 -0.575 . . . . 1.38 111.485 -177.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.702 ' HE2' HD11 ' A' ' 43' ' ' LEU . 17.2 ptt? -68.13 -29.48 68.4 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.523 -0.471 . . . . 1.79 110.151 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -66.95 -39.35 87.26 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.123 0.487 . . . . 2.2 110.432 173.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 54.1 m -63.34 -37.1 85.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.598 -0.728 . . . . 1.25 110.9 178.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.5 -44.95 85.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.43 . . . . 1.17 111.123 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.05 -30.24 70.21 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.444 -0.798 . . . . 1.2 110.688 -177.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 48' ' ' THR . 40.0 mmt180 -58.28 -55.09 39.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.683 -0.69 . . . . 3.4 110.576 178.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.595 HD23 HD12 ' A' ' 5' ' ' LEU . 86.0 mt -61.27 -44.39 97.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.989 -0.551 . . . . 1.25 111.127 -174.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.561 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 53.1 mt-10 -60.48 -56.16 24.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.152 -0.476 . . . . 0.51 111.109 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.0 t -65.08 -32.46 74.18 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.015 0.436 . . . . 1.97 111.401 -177.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.447 HH11 ' HD2' ' A' ' 55' ' ' ARG . 20.0 ttt180 -68.16 -40.34 82.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.918 -0.583 . . . . 2.83 111.467 -174.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -115.93 4.62 13.86 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.189 0.44 . . . . 1.36 112.189 -175.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.77 37.21 83.94 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.888 -0.672 . . . . 0.58 112.499 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.561 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 29.2 m -106.95 -170.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.667 0.27 . . . . 1.2 110.825 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 p -155.0 126.69 7.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.995 -0.548 . . . . 2.17 109.598 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 60.3 mt -91.92 130.31 38.92 Favored Pre-proline 0 C--N 1.318 -0.778 0 N-CA-C 110.044 -0.354 . . . . 1.21 110.044 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.565 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 54.4 Cg_exo -52.34 138.41 55.84 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.918 2.412 . . . . 0.96 112.933 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -54.4 -53.47 53.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.017 -0.992 . . . . 1.99 112.436 -174.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -78.89 -37.59 39.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.743 0.306 . . . . 2.44 111.259 -176.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.565 ' HB ' ' HB2' ' A' ' 61' ' ' PRO . 43.0 t -72.23 -19.79 19.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.775 0.321 . . . . 1.77 111.68 -174.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.88 -44.3 94.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.107 0.48 . . . . 1.23 111.502 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.39 33.7 5.3 Favored Glycine 0 C--N 1.321 -0.303 0 CA-C-N 115.825 -0.625 . . . . 0.77 112.771 -176.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -133.13 9.6 4.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.971 0.415 . . . . 4.26 110.854 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.4 m -93.72 129.47 44.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.106 -0.497 . . . . 1.54 110.079 176.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -98.32 -44.43 6.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.873 0.368 . . . . 1.75 111.605 -175.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.2 p -117.9 155.49 50.97 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.406 -0.361 . . . . 1.12 111.147 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.461 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 87.6 Cg_exo -48.65 -37.9 35.52 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.284 2.656 . . . . 0.42 113.004 174.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -51.5 -50.93 58.95 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 120.97 0.414 . . . . 4.31 110.812 178.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -60.76 -49.42 77.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.414 -0.812 . . . . 2.43 110.618 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -56.58 -52.15 65.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.635 -0.711 . . . . 1.84 109.898 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 57.2 tp -59.36 -53.42 58.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.967 -0.561 . . . . 1.74 111.313 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -57.22 -42.86 82.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.709 -0.678 . . . . 1.43 111.65 -174.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.14 -42.97 99.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.473 -0.33 . . . . 2.22 111.248 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.412 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 60.7 mt -67.09 -41.99 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 110.028 -0.36 . . . . 1.15 110.028 178.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -59.94 -35.72 75.54 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.389 -0.369 . . . . 1.67 110.441 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.43 -38.09 95.32 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.134 -0.555 . . . . 0.54 112.069 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.13 -34.23 68.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.939 0.4 . . . . 1.22 110.252 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.451 HD11 HD22 ' A' ' 4' ' ' LEU . 95.3 mt -70.61 -37.93 73.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.886 -0.597 . . . . 1.53 110.776 178.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.82 -32.77 73.55 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.02 0.438 . . . . 1.34 110.583 175.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -70.2 -49.64 48.17 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.817 -0.629 . . . . 2.67 109.495 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 69.81 -77.46 0.05 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.662 0.986 . . . . 2.45 113.662 169.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.484 -0.769 . . . . 3.82 111.306 -171.494 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SXO . . . . . 0.445 HN36 H30A ' A' ' 87' ' ' SXO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.644 0.259 . . . . 5.43 110.535 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.52 159.23 33.7 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.468 -0.333 . . . . 2.67 111.189 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.8 t -73.98 106.16 5.55 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.777 0.799 . . . . 2.6 110.497 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.2 mt -84.57 166.02 17.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.497 -0.774 . . . . 1.48 111.157 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.769 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 2.8 tt -86.71 122.1 30.15 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 107.724 -1.213 . . . . 1.62 107.724 172.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.86 160.53 15.44 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.416 0.524 . . . . 1.75 112.416 -177.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.62 -51.6 68.07 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 115.547 -0.751 . . . . 1.8 112.908 -175.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -58.58 -44.48 89.82 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.022 0.439 . . . . 2.19 111.257 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.29 -33.32 75.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.797 -0.638 . . . . 1.12 110.832 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.7 tp -68.69 -44.01 74.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 1.77 109.939 174.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -54.99 -43.07 73.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.97 -0.559 . . . . 2.74 110.791 176.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -69.68 -33.68 72.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.928 -0.578 . . . . 4.33 111.523 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.72 91.58 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.11 0.411 . . . . 1.24 112.11 -171.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.58 ' HB2' HD23 ' A' ' 26' ' ' LEU . 3.8 mm? -63.15 -38.88 92.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.895 0.378 . . . . 1.47 110.649 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.7 t -69.88 -46.69 73.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.285 -0.416 . . . . 1.36 110.668 -178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.82 -31.58 72.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 1.49 111.457 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.5 m -79.52 -39.13 32.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.711 0.291 . . . . 1.61 111.26 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.99 -30.96 68.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.935 0.398 . . . . 1.7 110.372 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.28 68.96 1.03 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.775 -0.726 . . . . 2.14 112.763 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 61.35 83.86 0.14 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 122.749 0.419 . . . . 5.47 110.613 177.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.8 p -141.16 81.44 1.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.389 -0.369 . . . . 4.86 111.134 -177.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -87.22 162.79 17.27 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.41 -0.589 . . . . 4.4 109.41 174.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.27 -54.48 0.73 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.639 -0.791 . . . . 2.96 112.318 178.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.4 m -61.94 148.09 44.79 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.191 -0.3 . . . . 3.4 110.191 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -70.38 84.08 0.57 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.415 0.626 . . . . 2.76 110.703 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.58 HD23 ' HB2' ' A' ' 14' ' ' LEU . 32.5 tp -133.55 -2.45 3.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.785 -1.098 . . . . 2.2 109.445 177.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.5 m -83.21 -47.81 11.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.623 -0.717 . . . . 2.49 111.103 -172.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -103.27 -30.93 5.18 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.428 -0.891 . . . . 1.85 113.051 -175.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -146.59 145.19 30.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.925 0.363 . . . . 2.77 110.161 -174.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -169.9 -29.25 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.449 0.907 . . . . 1.19 113.449 -178.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.603 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 48.0 mt -54.47 -33.06 58.99 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.04 1.126 . . . . 1.4 114.04 -170.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -102.71 4.42 38.08 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.896 -0.322 . . . . 2.29 111.497 -177.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.1 mt -90.69 130.72 36.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.9 0.381 . . . . 1.78 110.612 176.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -70.79 141.12 51.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.375 -0.375 . . . . 3.44 110.577 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -54.54 -40.04 68.29 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.905 0.383 . . . . 0.68 111.069 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -58.3 -36.92 74.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.845 -0.616 . . . . 2.6 111.211 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -85.21 -18.81 32.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.232 -0.44 . . . . 2.03 112.061 -173.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.482 HG13 ' HD1' ' A' ' 40' ' ' TYR . 22.8 pt -95.76 11.2 4.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.635 -0.426 . . . . 1.29 111.303 177.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.15 49.64 51.62 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.983 -0.553 . . . . 0.68 113.659 174.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.482 ' HD1' HG13 ' A' ' 38' ' ' ILE . 21.2 m-85 -118.15 114.91 23.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 117.084 0.442 . . . . 1.09 110.972 176.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.91 153.43 40.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.305 -0.861 . . . . 1.93 110.846 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.6 p -53.64 -43.88 69.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.755 -0.657 . . . . 0.92 111.611 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.9 tp -64.08 -46.26 85.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.393 -0.367 . . . . 1.8 110.526 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.93 -28.18 69.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.405 0.621 . . . . 1.21 110.825 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.453 ' HG ' ' H2A' ' A' ' 87' ' ' SXO . 31.6 tp -70.3 -43.96 69.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.633 -0.712 . . . . 1.38 110.615 178.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.4 ptm -72.12 -27.1 62.41 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.711 0.291 . . . . 1.79 110.438 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 19.0 mm-40 -59.77 -50.45 73.78 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.561 -0.533 . . . . 2.2 109.561 172.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.492 HG22 HD11 ' A' ' 14' ' ' LEU . 22.8 m -61.35 -41.54 97.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.501 -0.772 . . . . 1.25 110.745 178.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.81 -49.63 72.69 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.972 -0.558 . . . . 1.17 111.963 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.86 -31.54 70.99 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.402 0.62 . . . . 1.2 110.73 -175.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.579 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 19.2 mmt180 -65.3 -38.96 91.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.231 -0.895 . . . . 3.4 110.417 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.606 HD13 HD12 ' A' ' 5' ' ' LEU . 65.6 mt -81.21 -35.55 31.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.835 -0.62 . . . . 1.25 111.283 -177.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -58.9 -43.12 90.97 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.501 -0.555 . . . . 0.51 109.501 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.2 m -65.77 -39.81 91.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.723 -0.671 . . . . 1.97 111.33 176.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -68.66 -54.34 16.9 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.508 0.558 . . . . 2.83 112.508 -176.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.769 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 29.8 m-85 -96.89 -1.2 46.39 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.267 -0.424 . . . . 1.36 111.23 -170.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.12 33.43 65.1 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.793 -0.718 . . . . 0.58 112.374 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.0 m -106.45 -173.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.064 0.459 . . . . 1.2 111.09 -177.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.4 m -152.44 122.95 7.28 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 109.313 -0.625 . . . . 2.17 109.313 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 63.7 mt -93.75 116.47 66.49 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 116.503 -0.317 . . . . 1.21 110.153 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -57.79 136.13 73.5 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.064 2.509 . . . . 0.96 112.386 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -59.37 -39.35 83.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.82 -0.627 . . . . 1.99 111.682 -175.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -77.15 -39.47 49.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.288 -0.415 . . . . 2.44 111.332 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.1 t -73.13 -26.3 22.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.06 0.457 . . . . 1.77 110.448 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.472 ' HB3' ' H3 ' ' A' ' 87' ' ' SXO . . . -62.98 -42.92 99.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.294 0.568 . . . . 1.23 110.823 176.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.66 32.93 4.07 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.485 -0.779 . . . . 0.77 113.267 -175.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -145.26 11.69 1.34 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 117.006 0.403 . . . . 4.26 111.337 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.4 m -97.98 175.42 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.577 -0.283 . . . . 1.54 110.311 176.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.47 -51.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.008 0.432 . . . . 1.75 111.287 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.5 p -100.6 142.63 24.99 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.161 -0.472 . . . . 1.12 111.72 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.603 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 79.6 Cg_exo -51.11 -32.16 38.53 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.777 2.985 . . . . 0.42 113.203 176.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -53.25 -55.05 27.63 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 123.358 0.411 . . . . 4.31 111.05 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.36 -43.55 98.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.619 -0.718 . . . . 2.43 109.679 -177.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.73 -46.55 88.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.523 -0.762 . . . . 1.84 110.137 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.9 tp -60.07 -54.17 49.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.465 -0.788 . . . . 1.74 111.323 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -70.01 -27.89 65.05 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.911 -0.586 . . . . 1.43 111.275 -175.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.14 -55.63 20.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.483 -0.326 . . . . 2.22 111.03 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 61.6 mt -62.08 -46.45 96.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 1.15 110.367 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -66.85 -20.79 65.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 1.67 111.032 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.11 -33.6 65.06 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.154 -0.546 . . . . 0.54 111.899 177.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.92 -32.11 63.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.339 0.59 . . . . 1.22 110.27 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 83.9 mt -86.01 -10.66 54.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.659 -0.7 . . . . 1.53 111.08 -178.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.38 -19.58 66.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.947 0.403 . . . . 1.34 111.548 -178.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -69.0 -19.65 64.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.972 0.415 . . . . 2.67 110.298 176.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -112.31 24.95 12.0 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.673 -0.694 . . . . 2.45 110.181 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.2 -0.905 . . . . 3.82 110.444 176.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SXO . . . . . 0.578 HN36 ' H30' ' A' ' 87' ' ' SXO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.3 mtm . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 120.832 0.348 . . . . 5.43 110.371 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.06 163.6 32.43 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.453 -0.573 . . . . 2.67 109.453 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 t -136.22 137.94 41.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.208 0.528 . . . . 2.6 110.734 -178.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.1 mt -82.67 174.16 11.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.612 -0.722 . . . . 1.48 110.983 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.56 ' HG ' ' HG ' ' A' ' 75' ' ' LEU . 11.2 tp -83.82 121.22 27.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.361 -0.836 . . . . 1.62 108.899 172.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.52 172.93 6.54 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.465 0.543 . . . . 1.75 112.465 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -55.75 -56.79 16.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.371 -0.831 . . . . 1.8 111.967 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -60.95 -38.63 86.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 2.19 111.357 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.04 -45.32 95.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.987 -0.551 . . . . 1.12 110.927 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.2 tp -63.87 -46.25 85.77 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.968 -0.382 . . . . 1.77 109.968 176.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -55.31 -33.76 63.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.077 -0.511 . . . . 2.74 111.711 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.597 ' NH2' HG23 ' A' ' 15' ' ' VAL . 4.2 mmp_? -71.19 -33.8 70.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.452 -0.155 . . . . 4.33 111.192 177.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.76 91.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.703 0.287 . . . . 1.24 111.451 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.799 ' HB3' ' HH ' ' A' ' 40' ' ' TYR . 3.0 mm? -67.25 -24.96 65.86 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.493 0.663 . . . . 1.47 110.482 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.649 ' HA ' ' HA2' ' A' ' 19' ' ' GLY . 59.6 t -84.97 -23.56 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.601 -0.727 . . . . 1.36 110.362 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.467 ' OE1' ' HD2' ' A' ' 51' ' ' ARG . 41.8 mt-10 -74.8 -34.84 62.47 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.982 -0.554 . . . . 1.49 110.975 175.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.8 p -82.53 -61.73 1.81 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.865 0.364 . . . . 1.61 111.299 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.05 -57.09 2.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.096 0.474 . . . . 1.7 110.599 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.649 ' HA2' ' HA ' ' A' ' 15' ' ' VAL . . . 103.89 156.4 24.14 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.717 -0.754 . . . . 2.14 112.429 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.04 108.19 3.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.901 0.382 . . . . 5.47 110.053 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 p -112.15 -101.13 0.41 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.937 -0.574 . . . . 4.86 111.497 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -146.86 159.1 43.94 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.545 -0.539 . . . . 4.4 109.545 -177.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.72 -63.88 3.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.765 -0.731 . . . . 2.96 112.381 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.5 t -96.35 91.55 5.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.735 0.779 . . . . 3.4 110.477 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -95.2 134.71 37.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.698 -0.683 . . . . 2.76 110.523 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 26' ' ' LEU . 6.7 mp -99.8 8.61 44.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.855 -0.611 . . . . 2.2 110.873 -175.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.0 m -81.69 85.26 6.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.032 0.444 . . . . 2.49 110.523 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.47 -118.07 1.29 Allowed Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.648 -0.787 . . . . 1.85 111.93 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -104.93 150.82 24.57 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.596 -0.52 . . . . 2.77 109.596 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -169.66 -24.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.701 0.286 . . . . 1.19 111.123 -174.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.808 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 91.7 mt -56.85 -22.45 36.94 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.047 0.388 . . . . 1.4 112.047 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -92.43 -13.39 30.09 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.247 0.546 . . . . 2.29 110.442 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.8 mt -86.12 127.45 34.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.748 -0.66 . . . . 1.78 109.999 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.9 mtt85 -67.6 152.3 45.87 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.358 -0.383 . . . . 3.44 110.101 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -54.07 -32.89 56.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.417 -0.356 . . . . 0.68 111.147 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.35 -31.12 68.91 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.038 -0.528 . . . . 2.6 111.479 175.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -86.28 -33.74 20.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.337 -0.392 . . . . 2.03 111.187 -174.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.48 HG13 ' HD1' ' A' ' 40' ' ' TYR . 28.9 pt -88.46 13.94 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.953 0.406 . . . . 1.29 111.577 -177.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.56 38.12 61.83 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.734 -0.666 . . . . 0.68 114.275 171.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.799 ' HH ' ' HB3' ' A' ' 14' ' ' LEU . 34.9 m-85 -106.6 119.65 39.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.496 0.648 . . . . 1.09 110.941 175.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -77.85 -62.48 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.836 -1.074 . . . . 1.93 111.64 -173.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.5 p 174.1 -49.49 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.743 -0.836 . . . . 0.92 108.743 -173.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.477 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -64.78 -46.39 82.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.128 -0.942 . . . . 1.8 109.295 178.319 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.66 -26.02 68.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 1.21 110.68 177.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.556 ' HG ' ' H8A' ' A' ' 87' ' ' SXO . 35.2 tp -75.37 -46.16 34.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.985 -0.552 . . . . 1.38 110.694 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.0 ptm -68.44 -31.64 71.1 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.64 -0.255 . . . . 1.79 111.333 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 11.2 mm-40 -64.25 -38.61 91.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.077 0.465 . . . . 2.2 110.449 176.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.3 m -63.35 -33.9 76.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.737 -0.665 . . . . 1.25 111.27 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.73 -44.81 77.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 1.17 111.488 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.18 -32.54 72.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.055 -0.521 . . . . 1.2 110.79 -176.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.467 ' HD2' ' OE1' ' A' ' 16' ' ' GLU . 10.9 mmt180 -66.92 -33.47 75.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.422 -0.808 . . . . 3.4 110.854 -178.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.6 mt -83.48 -48.06 10.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.149 -0.478 . . . . 1.25 110.619 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.535 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 50.3 mt-10 -58.76 -52.16 66.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.774 -0.648 . . . . 0.51 111.374 -176.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.9 t -67.42 -21.64 65.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.291 -0.413 . . . . 1.97 111.321 -176.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -82.89 -48.22 10.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.539 -0.301 . . . . 2.83 111.265 -176.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.403 ' HH ' HD12 ' A' ' 5' ' ' LEU . 88.4 m-85 -99.07 2.93 46.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.494 -0.321 . . . . 1.36 111.494 -174.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.13 34.0 69.77 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.882 -0.675 . . . . 0.58 112.401 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.535 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 28.2 m -110.67 -170.57 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.853 0.358 . . . . 1.2 111.202 -177.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.436 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 19.4 p -157.78 133.88 9.42 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.011 -0.737 . . . . 2.17 109.011 174.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.421 HG22 ' HB3' ' A' ' 65' ' ' ALA . 56.1 mt -95.9 117.37 66.41 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 116.398 -0.365 . . . . 1.21 110.863 -175.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.48 134.77 42.9 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.629 2.219 . . . . 0.96 111.754 178.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -62.24 -22.48 66.01 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.081 -0.509 . . . . 1.99 112.263 -174.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -78.01 -50.84 11.33 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.192 0.52 . . . . 2.44 110.251 175.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.5 t -70.75 -27.07 29.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.64 -0.709 . . . . 1.77 110.852 -174.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.421 ' HB3' HG22 ' A' ' 60' ' ' ILE . . . -61.87 -34.4 75.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.124 0.488 . . . . 1.23 111.331 177.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.86 10.49 74.75 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.816 -0.707 . . . . 0.77 112.62 -177.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -91.94 -25.4 18.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.722 0.296 . . . . 4.26 110.656 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.505 HG21 HD23 ' A' ' 74' ' ' LEU . 34.2 m -95.53 156.85 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.846 0.355 . . . . 1.54 111.757 -177.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -135.38 -12.1 2.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.925 -0.58 . . . . 1.75 110.432 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.1 p -125.66 140.5 36.67 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.152 -0.476 . . . . 1.12 110.872 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.489 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 80.2 Cg_exo -51.59 -44.21 45.58 Favored 'Trans proline' 0 N--CA 1.476 0.453 0 C-N-CA 123.948 3.098 . . . . 0.42 114.299 -176.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.808 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 44.8 ttm105 -52.94 -45.99 67.93 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.855 0.359 . . . . 4.31 111.723 -176.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.56 -38.66 87.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.893 -0.594 . . . . 2.43 110.269 -176.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.505 HD23 HG21 ' A' ' 68' ' ' VAL . 2.9 tm? -65.15 -45.15 86.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.841 -0.618 . . . . 1.84 109.988 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.56 ' HG ' ' HG ' ' A' ' 5' ' ' LEU . 5.5 tt -58.75 -49.75 76.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.71 -0.677 . . . . 1.74 110.518 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.53 -34.26 77.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.068 -0.515 . . . . 1.43 110.889 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.9 tp -60.19 -53.4 58.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.728 -0.669 . . . . 2.22 111.519 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.2 mt -64.38 -37.57 80.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.921 0.391 . . . . 1.15 110.989 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -66.16 -26.14 67.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 1.67 111.234 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -58.66 -38.88 92.63 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.527 -0.844 . . . . 0.54 111.846 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.05 -27.77 61.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 1.22 111.151 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.6 mt -81.64 -36.78 28.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.292 -0.413 . . . . 1.53 110.884 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.23 -28.5 69.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 1.34 111.68 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -91.41 0.45 57.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.473 -0.331 . . . . 2.67 111.222 178.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.88 -67.42 0.85 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.845 0.355 . . . . 2.45 110.501 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.829 -0.605 . . . . 3.82 110.939 -177.533 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SXO . . . . . 0.556 ' H8A' ' HG ' ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.3 mtp . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 109.76 -0.459 . . . . 5.43 109.76 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.55 136.13 33.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.963 0.411 . . . . 2.67 110.676 -177.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.3 t -110.14 134.87 51.75 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.136 0.493 . . . . 2.6 110.943 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.4 mt -81.47 -178.22 6.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.873 -0.603 . . . . 1.48 109.708 175.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.694 HD22 ' HB2' ' A' ' 10' ' ' LEU . 5.4 tt -82.85 121.36 26.84 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.046 -0.724 . . . . 1.62 109.046 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 50.5 p -111.5 167.91 9.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.307 -0.406 . . . . 1.75 110.463 -178.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 p -59.65 -34.27 72.61 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.083 -0.247 . . . . 1.8 111.28 175.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -72.09 -44.09 63.79 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 121.16 -0.216 . . . . 2.19 110.646 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.86 -49.72 76.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.388 -0.369 . . . . 1.12 110.677 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.694 ' HB2' HD22 ' A' ' 5' ' ' LEU . 50.0 tp -60.75 -46.06 91.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.955 -0.566 . . . . 1.77 110.204 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.45 ' O ' HG23 ' A' ' 15' ' ' VAL . 46.0 ttp180 -54.0 -48.58 70.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.858 -0.61 . . . . 2.74 110.89 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -68.51 -37.03 79.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.33 -0.396 . . . . 4.33 110.939 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.26 -41.54 89.05 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.317 -0.401 . . . . 1.24 111.183 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.442 ' HG ' HG21 ' A' ' 48' ' ' THR . 2.5 mt -67.86 -36.11 79.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.855 -0.611 . . . . 1.47 111.024 178.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 11' ' ' ARG . 61.3 t -72.68 -37.0 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 1.36 110.789 178.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.27 -33.35 73.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 1.49 110.669 176.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 m -82.8 -54.46 5.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.848 -0.614 . . . . 1.61 110.664 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -124.68 91.34 3.42 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.896 -0.593 . . . . 1.7 110.367 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -114.65 84.89 0.38 Allowed Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.684 -0.769 . . . . 2.14 112.46 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.581 ' OE2' ' HB3' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -112.35 169.72 8.68 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.038 -0.356 . . . . 5.47 110.038 178.842 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.4 m -112.43 55.98 0.67 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.23 0.538 . . . . 4.86 111.071 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.581 ' HB3' ' OE2' ' A' ' 20' ' ' GLU . 12.6 t70 -136.55 -62.83 0.64 Allowed 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 116.078 -0.51 . . . . 4.4 111.199 177.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.17 9.28 5.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.231 -0.985 . . . . 2.96 113.254 -174.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.2 m -78.82 80.75 5.16 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.887 0.375 . . . . 3.4 111.075 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -120.41 111.97 18.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.008 0.432 . . . . 2.76 110.957 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -121.3 37.23 4.39 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.243 -0.651 . . . . 2.2 109.243 174.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.4 p -54.11 -67.04 0.29 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.299 -0.864 . . . . 2.49 112.691 -173.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.99 -108.26 1.45 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.516 -0.85 . . . . 1.85 112.683 -177.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -106.37 148.54 27.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.236 0.541 . . . . 2.77 111.079 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -145.96 -4.67 0.63 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.356 -0.838 . . . . 1.19 110.281 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.629 ' O ' ' HB ' ' A' ' 70' ' ' THR . 37.0 mt -59.28 -24.22 63.06 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.454 0.538 . . . . 1.4 112.454 -174.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -92.53 -16.0 26.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.087 0.47 . . . . 2.29 111.346 -175.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -88.45 134.69 33.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 1.78 110.894 -177.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -71.54 143.33 49.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.529 -0.305 . . . . 3.44 110.703 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -53.69 -39.44 65.14 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.29 -0.414 . . . . 0.68 111.258 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -56.47 -33.13 65.65 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.759 -0.655 . . . . 2.6 111.477 -178.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.99 -34.66 19.18 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.341 0.497 . . . . 2.03 112.341 -174.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.478 HG13 ' HD2' ' A' ' 40' ' ' TYR . 14.9 pt -87.25 24.54 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.705 0.631 . . . . 1.29 112.705 -173.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.28 35.88 83.58 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.784 -0.644 . . . . 0.68 114.198 170.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.478 ' HD2' HG13 ' A' ' 38' ' ' ILE . 53.4 m-85 -111.8 110.18 20.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.308 0.575 . . . . 1.09 110.859 174.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -78.35 169.31 18.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.072 -0.967 . . . . 1.93 110.069 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.97 ' HB2' ' H28' ' A' ' 87' ' ' SXO . 0.0 OUTLIER -52.04 -53.26 44.05 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 112.54 0.57 . . . . 0.92 112.54 -175.057 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.447 ' O ' ' HG3' ' A' ' 46' ' ' MET . 38.7 tp -61.95 -46.12 90.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.466 -0.334 . . . . 1.8 110.556 -178.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.61 -36.35 80.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.38 -0.373 . . . . 1.21 111.075 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.9 tp -67.43 -45.37 76.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.183 -0.462 . . . . 1.38 110.915 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.447 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 4.8 ppp? -75.43 -27.62 59.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.636 0.255 . . . . 1.79 110.858 -178.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -62.17 -41.56 98.44 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.162 0.506 . . . . 2.2 110.042 172.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.442 HG21 ' HG ' ' A' ' 14' ' ' LEU . 39.9 m -60.54 -41.85 95.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.596 -0.729 . . . . 1.25 110.32 177.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.481 ' HB1' HD12 ' A' ' 60' ' ' ILE . . . -56.58 -42.33 78.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.972 -0.558 . . . . 1.17 110.997 177.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.11 -38.46 91.25 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.141 -0.481 . . . . 1.2 110.382 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -61.55 -36.42 80.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.698 -0.683 . . . . 3.4 110.516 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.8 mt -72.12 -51.02 23.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.99 -0.55 . . . . 1.25 110.815 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.568 ' OE2' ' HA ' ' A' ' 59' ' ' SER . 43.0 mt-10 -58.56 -42.61 88.34 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.286 -0.416 . . . . 0.51 110.605 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.5 t -65.49 -21.49 66.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.177 -0.465 . . . . 1.97 112.038 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -91.11 -47.43 7.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.681 0.277 . . . . 2.83 111.376 -176.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.479 ' OH ' ' HA ' ' A' ' 5' ' ' LEU . 75.6 m-85 -95.34 -20.2 19.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.547 -0.297 . . . . 1.36 111.733 -173.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.6 32.79 26.63 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.718 -0.754 . . . . 0.58 111.812 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 31.0 m -101.54 -173.7 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.798 0.333 . . . . 1.2 111.334 -176.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.568 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 8.5 p -148.51 124.93 10.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.645 -0.707 . . . . 2.17 109.917 176.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.481 HD12 ' HB1' ' A' ' 49' ' ' ALA . 49.6 mt -94.33 120.73 64.93 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.661 -0.245 . . . . 1.21 110.702 -177.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 43.8 Cg_exo -58.56 139.76 91.99 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.195 2.597 . . . . 0.96 113.123 -178.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -56.53 -40.55 75.28 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.685 -0.689 . . . . 1.99 111.66 -177.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -79.55 -47.19 15.95 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.385 -0.825 . . . . 2.44 111.921 -171.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.8 t -73.34 -28.34 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.841 0.353 . . . . 1.77 111.205 -175.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.426 ' HB1' HG21 ' A' ' 60' ' ' ILE . . . -58.82 -42.39 89.08 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.41 0.522 . . . . 1.23 112.41 -175.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.75 9.82 74.99 Favored Glycine 0 C--N 1.319 -0.365 0 C-N-CA 120.789 -0.719 . . . . 0.77 113.085 -175.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -106.28 1.32 25.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.677 0.275 . . . . 4.26 111.55 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.3 m -94.15 175.36 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.694 -0.23 . . . . 1.54 111.007 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -142.7 -42.5 0.32 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.004 0.431 . . . . 1.75 111.777 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.629 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 61.2 p -104.82 143.82 27.49 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.06 -0.518 . . . . 1.12 111.196 -175.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.497 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 74.9 Cg_exo -52.97 -30.88 50.51 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.289 2.659 . . . . 0.42 112.818 176.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.55 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -56.2 -46.49 79.42 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.426 -0.352 . . . . 4.31 110.168 178.506 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -64.31 -41.94 96.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.03 -0.532 . . . . 2.43 110.943 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.585 HD23 ' H8A' ' A' ' 87' ' ' SXO . 0.4 OUTLIER -61.18 -48.14 82.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.269 0.557 . . . . 1.84 109.626 179.651 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.492 ' HG ' HD21 ' A' ' 5' ' ' LEU . 10.3 tt -58.64 -48.3 81.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.402 -0.817 . . . . 1.74 110.525 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -65.19 -37.9 88.79 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.687 -0.688 . . . . 1.43 111.577 -177.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.32 -52.03 66.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.739 0.304 . . . . 2.22 111.316 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.2 mt -68.21 -36.06 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.859 0.362 . . . . 1.15 110.503 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -64.61 -40.5 95.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.458 . . . . 1.67 110.948 177.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.94 -39.35 97.43 Favored Glycine 0 CA--C 1.516 0.124 0 C-N-CA 121.146 -0.55 . . . . 0.54 112.78 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.89 -26.6 63.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.903 0.382 . . . . 1.22 111.239 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.5 mt -86.13 -29.28 23.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.272 -0.422 . . . . 1.53 111.021 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.75 -41.95 95.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.203 -0.453 . . . . 1.34 111.607 -176.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -92.01 12.85 20.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.901 0.381 . . . . 2.67 111.217 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.94 -67.36 0.79 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.471 -0.331 . . . . 2.45 111.631 -176.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.593 -0.717 . . . . 3.82 110.886 -176.779 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SXO . . . . . 0.97 ' H28' ' HB2' ' A' ' 42' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.529 ' HB3' ' O ' ' A' ' 86' ' ' ALA . 46.1 ttm . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.769 0.319 . . . . 5.43 110.33 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.3 119.62 15.71 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.271 -0.422 . . . . 2.67 110.243 176.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.35 105.78 5.67 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.855 -0.612 . . . . 2.6 111.164 -179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.9 mt -76.5 163.09 27.26 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.396 -0.594 . . . . 1.48 109.396 177.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.583 ' HA ' ' CZ ' ' A' ' 56' ' ' TYR . 6.1 tt -79.71 123.22 27.47 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.186 -0.672 . . . . 1.62 109.186 -177.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.41 148.32 22.9 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.924 -0.58 . . . . 1.75 111.452 -177.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.9 p -58.29 -36.95 74.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.599 -0.728 . . . . 1.8 110.783 177.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.33 -46.7 88.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.453 -0.794 . . . . 2.19 110.718 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.08 -44.8 87.72 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.195 -0.457 . . . . 1.12 110.983 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.412 ' O ' HD23 ' A' ' 14' ' ' LEU . 37.8 tp -59.63 -42.66 93.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 1.77 110.345 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -54.04 -41.59 68.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.032 -0.531 . . . . 2.74 110.233 176.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -72.98 -40.32 65.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.074 -0.512 . . . . 4.33 111.296 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.66 -38.43 78.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 1.24 111.604 -173.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.685 ' HB3' ' HH ' ' A' ' 40' ' ' TYR . 4.6 mm? -62.58 -48.21 80.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.853 0.359 . . . . 1.47 110.277 177.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.7 t -67.57 -42.83 87.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 1.36 110.79 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.51 -36.98 74.66 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.191 -0.459 . . . . 1.49 111.337 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.536 ' OG ' ' HA ' ' A' ' 48' ' ' THR . 16.3 m -80.3 -33.76 37.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.443 -0.344 . . . . 1.61 111.103 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.84 -47.15 72.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.967 0.413 . . . . 1.7 110.578 177.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.1 6.99 78.03 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.756 -0.735 . . . . 2.14 112.001 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.698 ' HG3' ' H ' ' A' ' 22' ' ' ASP . 8.3 tp10 -147.16 155.86 42.49 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.133 -0.321 . . . . 5.47 110.133 -178.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.9 t -106.4 1.22 25.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.545 0.688 . . . . 4.86 110.96 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.698 ' H ' ' HG3' ' A' ' 20' ' ' GLU . 11.9 t70 -86.92 111.18 20.56 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.194 -0.912 . . . . 4.4 111.111 -178.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.38 -19.51 48.01 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.592 -0.813 . . . . 2.96 112.483 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.3 p -79.55 71.15 6.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.938 0.399 . . . . 3.4 111.502 -177.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -87.65 89.85 8.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.364 0.602 . . . . 2.76 110.005 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.3 mp -111.95 44.56 1.38 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.362 -0.835 . . . . 2.2 109.278 176.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.8 m -71.31 92.82 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.333 -0.849 . . . . 2.49 111.719 -174.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.6 -72.44 2.68 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.096 -0.573 . . . . 1.85 112.122 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -103.79 156.19 18.01 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.318 -0.253 . . . . 2.77 110.318 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -178.8 -25.13 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.07 -0.514 . . . . 1.19 110.473 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.716 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 87.2 mt -54.47 -23.64 17.03 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.831 -0.622 . . . . 1.4 112.116 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -89.81 -18.06 26.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.855 -0.612 . . . . 2.29 111.155 -170.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.9 mt -89.99 152.89 20.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.383 -0.371 . . . . 1.78 110.619 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -69.59 152.41 44.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.602 0.239 . . . . 3.44 110.702 175.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -57.55 -41.78 81.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.899 0.381 . . . . 0.68 110.557 173.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -60.74 -23.19 64.76 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.964 -0.562 . . . . 2.6 111.4 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -85.89 -33.25 21.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.094 0.473 . . . . 2.03 109.994 -173.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.492 HG13 ' HD1' ' A' ' 40' ' ' TYR . 13.0 pt -90.31 14.71 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.922 -0.581 . . . . 1.29 111.833 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.46 25.72 56.17 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 114.58 0.592 . . . . 0.68 114.58 171.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.685 ' HH ' ' HB3' ' A' ' 14' ' ' LEU . 85.8 m-85 -111.69 118.84 36.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.586 0.693 . . . . 1.09 110.879 178.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -94.95 -172.49 2.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.535 -0.757 . . . . 1.93 110.811 -175.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 80.5 p -51.17 -61.18 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 123.406 0.682 . . . . 0.92 112.527 -173.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 57.6 tp -59.54 -51.62 69.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.789 -0.641 . . . . 1.8 111.618 -175.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.19 -29.76 70.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 1.21 111.324 -175.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.563 ' HG ' ' H3A' ' A' ' 87' ' ' SXO . 35.2 tp -62.26 -51.24 68.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.172 -0.467 . . . . 1.38 111.11 -178.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.4 ptm -70.03 -31.76 69.57 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.932 -0.307 . . . . 1.79 110.989 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 50.7 mt-10 -64.92 -39.5 93.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.89 0.376 . . . . 2.2 110.044 178.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.584 HG22 HD12 ' A' ' 14' ' ' LEU . 32.9 m -62.16 -42.6 99.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.808 -0.633 . . . . 1.25 110.895 176.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.33 -39.13 72.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.032 -0.531 . . . . 1.17 111.909 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.47 -30.39 71.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.186 0.517 . . . . 1.2 110.967 -177.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.746 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -66.79 -36.19 81.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.81 -0.632 . . . . 3.4 110.718 -179.248 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.451 HD21 HD13 ' A' ' 5' ' ' LEU . 86.3 mt -69.79 -44.11 70.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.737 -0.665 . . . . 1.25 110.279 179.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.492 ' HA ' HG22 ' A' ' 58' ' ' VAL . 51.5 mt-10 -58.58 -49.15 78.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.856 -0.611 . . . . 0.51 111.121 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.4 m -62.31 -35.72 79.91 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.404 -0.362 . . . . 1.97 111.633 -176.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -75.58 -44.61 42.28 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.268 -0.424 . . . . 2.83 111.663 -173.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.583 ' CZ ' ' HA ' ' A' ' 5' ' ' LEU . 93.3 m-85 -98.5 -8.98 25.71 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.043 0.386 . . . . 1.36 112.043 -175.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.65 42.98 45.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.674 -0.774 . . . . 0.58 112.074 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.492 HG22 ' HA ' ' A' ' 53' ' ' GLU . 28.9 m -112.36 -174.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.739 0.304 . . . . 1.2 110.883 -178.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.7 m -143.62 117.8 9.54 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.416 -0.587 . . . . 2.17 109.416 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.422 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 69.1 mt -91.96 111.94 52.35 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.939 0.4 . . . . 1.21 110.854 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 17.5 Cg_exo -66.53 125.81 14.48 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.784 2.323 . . . . 0.96 111.671 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -65.2 -7.39 12.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.401 . . . . 1.99 111.403 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -74.98 -55.62 5.58 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.645 -0.502 . . . . 2.44 109.645 172.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.437 ' HA ' ' HD3' ' A' ' 67' ' ' ARG . 4.0 t -76.71 -20.47 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.869 -0.605 . . . . 1.77 110.766 -177.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.84 -28.57 68.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.9 -0.591 . . . . 1.23 110.798 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -97.41 12.79 64.86 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.658 -0.782 . . . . 0.77 112.002 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.437 ' HD3' ' HA ' ' A' ' 64' ' ' VAL . 79.8 mtp180 -107.67 -6.29 16.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.969 0.414 . . . . 4.26 110.776 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.3 m -99.43 167.61 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.289 -0.414 . . . . 1.54 110.935 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -147.87 -37.08 0.2 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.341 0.591 . . . . 1.75 109.454 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.5 p -112.4 148.34 38.97 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.834 -0.621 . . . . 1.12 110.809 177.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.716 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 53.2 Cg_exo -55.53 -29.11 68.03 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.118 2.546 . . . . 0.42 112.001 176.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.408 ' NH2' ' HB2' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -53.08 -47.78 68.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.802 -0.635 . . . . 4.31 110.164 175.877 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -68.67 -45.1 72.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.78 -0.645 . . . . 2.43 110.951 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.496 ' HG ' ' H7A' ' A' ' 87' ' ' SXO . 1.9 tm? -57.26 -45.12 84.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.878 -0.601 . . . . 1.84 110.113 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.8 tp -57.12 -45.81 83.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.458 -0.792 . . . . 1.74 110.968 177.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.408 ' HB2' ' NH2' ' A' ' 72' ' ' ARG . 7.9 t70 -69.62 -27.04 64.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.249 0.547 . . . . 1.43 110.907 -175.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.429 HD12 HG11 ' A' ' 64' ' ' VAL . 61.7 tp -65.16 -59.4 4.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.798 -0.637 . . . . 2.22 110.895 177.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 50.6 mt -67.87 -45.22 84.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.095 -0.502 . . . . 1.15 110.913 -175.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -61.87 -36.7 82.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.597 -0.274 . . . . 1.67 110.974 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.42 -35.92 91.75 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 121.107 -0.568 . . . . 0.54 112.419 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.31 -45.38 55.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.772 0.32 . . . . 1.22 110.858 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.1 mt -68.43 -28.58 67.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 1.53 111.744 -176.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.86 -5.71 18.01 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.197 0.444 . . . . 1.34 112.197 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -81.98 -13.76 56.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.131 0.491 . . . . 2.67 109.993 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.89 167.6 9.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 2.45 110.367 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.529 ' O ' ' HB3' ' A' ' 1' ' ' MET . . . . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.204 -0.903 . . . . 3.82 110.615 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SXO . . . . . 0.563 ' H3A' ' HG ' ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 mmt . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 110.386 -0.227 . . . . 5.43 110.386 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.58 102.11 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.873 0.733 . . . . 2.67 112.679 175.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.1 t -83.44 110.59 18.3 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.929 -0.578 . . . . 2.6 109.498 174.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 45.0 mt -78.35 -177.91 5.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.027 -0.533 . . . . 1.48 111.227 -177.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.546 ' HG ' ' HH ' ' A' ' 56' ' ' TYR . 1.6 tt -81.13 122.94 27.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.661 -0.699 . . . . 1.62 109.512 -177.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.6 p -104.39 171.06 7.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.691 0.282 . . . . 1.75 111.063 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p -62.41 -36.16 81.48 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.825 -0.17 . . . . 1.8 111.34 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -71.38 -37.33 71.61 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.067 0.461 . . . . 2.19 110.243 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.5 -45.47 88.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.638 -0.71 . . . . 1.12 110.172 174.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.5 tp -68.61 -39.54 80.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.528 -0.76 . . . . 1.77 110.081 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.0 ttp85 -53.41 -51.51 62.36 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.205 -0.452 . . . . 2.74 110.614 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.472 ' HB3' ' OE1' ' A' ' 16' ' ' GLU . 17.3 mtp180 -61.83 -41.78 98.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.869 -0.605 . . . . 4.33 111.344 178.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.19 -38.05 85.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 1.24 112.08 -173.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.48 HD12 HG21 ' A' ' 48' ' ' THR . 4.5 mm? -72.86 -49.27 31.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.662 -0.245 . . . . 1.47 111.009 178.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.02 -52.09 63.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 120.813 0.34 . . . . 1.36 111.651 -176.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.472 ' OE1' ' HB3' ' A' ' 12' ' ' ARG . 44.6 mt-10 -68.17 -23.32 64.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.335 -0.393 . . . . 1.49 111.994 -177.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -83.56 -29.51 27.77 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.957 -0.297 . . . . 1.61 110.528 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.38 -62.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.358 . . . . 1.7 110.86 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.92 69.71 0.37 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.453 -0.879 . . . . 2.14 112.615 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 64.47 87.43 0.11 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.415 0.626 . . . . 5.47 111.595 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -87.79 104.73 16.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.86 -0.609 . . . . 4.86 110.287 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -91.65 114.63 27.21 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.801 -0.636 . . . . 4.4 110.654 -176.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.51 24.63 20.74 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.931 -0.652 . . . . 2.96 112.727 177.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.3 m -142.25 100.79 3.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.093 0.473 . . . . 3.4 110.686 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -84.18 120.15 25.85 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.157 -0.474 . . . . 2.76 110.906 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -118.78 26.53 9.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.511 -0.768 . . . . 2.2 109.513 174.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 t -95.31 -25.92 16.13 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.729 -0.669 . . . . 2.49 109.923 -177.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.02 -166.43 28.37 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.626 -0.797 . . . . 1.85 112.112 175.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -78.66 87.14 4.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.178 0.513 . . . . 2.77 109.898 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -92.55 2.36 56.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.287 -0.415 . . . . 1.19 111.883 -173.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.83 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 23.8 mt -56.4 -23.97 41.66 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.878 0.695 . . . . 1.4 112.878 -177.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -93.0 -11.35 33.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.936 0.398 . . . . 2.29 111.467 -177.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.8 mt -87.33 113.01 22.67 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.049 -0.523 . . . . 1.78 110.213 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.49 ' HD2' ' OD2' ' A' ' 69' ' ' ASP . 23.1 mtm180 -67.65 147.92 52.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.405 -0.361 . . . . 3.44 110.673 -175.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -53.07 -43.31 66.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.68 110.772 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -54.26 -37.52 64.77 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.768 -0.651 . . . . 2.6 112.08 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -85.0 -27.7 26.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.644 -0.253 . . . . 2.03 111.106 -173.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.483 HG13 ' HD2' ' A' ' 40' ' ' TYR . 17.3 pt -93.97 18.64 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.884 0.373 . . . . 1.29 111.849 -178.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.64 -0.28 89.48 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 121.132 -0.556 . . . . 0.68 113.848 171.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.483 ' HD2' HG13 ' A' ' 38' ' ' ILE . 56.8 m-85 -89.35 98.71 11.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.441 -0.447 . . . . 1.09 110.839 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -83.78 178.65 7.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.496 -0.774 . . . . 1.93 110.093 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.7 p -51.16 -45.52 61.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.611 -0.722 . . . . 0.92 111.841 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.586 ' O ' ' HG3' ' A' ' 46' ' ' MET . 51.1 tp -66.73 -48.5 68.97 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 116.499 -0.319 . . . . 1.8 110.694 -177.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.27 77.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.332 0.587 . . . . 1.21 110.702 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.851 ' HG ' ' H5A' ' A' ' 87' ' ' SXO . 46.8 tp -68.9 -46.9 67.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.892 -0.594 . . . . 1.38 111.118 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.586 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 4.4 ppp? -66.24 -31.69 72.65 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.628 -0.26 . . . . 1.79 110.918 -177.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -62.23 -46.36 89.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.621 0.724 . . . . 2.2 110.032 174.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.48 HG21 HD12 ' A' ' 14' ' ' LEU . 22.6 m -66.07 -19.7 65.93 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.133 -0.939 . . . . 1.25 112.038 -178.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.42 -41.54 80.59 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.067 0.461 . . . . 1.17 111.344 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.49 -29.92 70.28 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.637 -0.711 . . . . 1.2 110.817 -177.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.58 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 39.4 mmt180 -62.4 -39.23 92.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.201 -0.908 . . . . 3.4 110.844 -176.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.48 HD23 HD13 ' A' ' 5' ' ' LEU . 76.8 mt -83.24 -46.26 12.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.068 -0.515 . . . . 1.25 111.305 -176.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.458 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 55.4 mt-10 -57.41 -53.3 59.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.337 -0.392 . . . . 0.51 111.622 -177.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.5 t -64.53 -35.48 81.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.778 0.323 . . . . 1.97 111.146 -178.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.58 ' HB2' ' O ' ' A' ' 51' ' ' ARG . 50.6 ttt180 -64.05 -51.53 63.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 2.83 111.431 -173.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.546 ' HH ' ' HG ' ' A' ' 5' ' ' LEU . 58.5 m-85 -98.18 -14.94 20.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.532 -0.304 . . . . 1.36 111.641 -174.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.65 34.82 10.99 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.81 -0.71 . . . . 0.58 111.927 -178.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 32.9 m -106.5 -169.42 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.672 0.272 . . . . 1.2 110.7 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.8 t -157.35 135.71 11.22 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.124 -0.695 . . . . 2.17 109.124 172.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 43.7 mt -96.34 122.26 58.12 Favored Pre-proline 0 C--N 1.317 -0.817 0 CA-C-N 116.361 -0.382 . . . . 1.21 110.358 -177.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.42 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 76.7 Cg_exo -51.55 133.08 42.84 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.868 2.379 . . . . 0.96 112.036 178.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.15 -50.27 69.72 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.834 -0.621 . . . . 1.99 111.859 -171.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -79.01 -38.08 37.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.212 -0.449 . . . . 2.44 111.427 -174.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.42 ' HB ' ' HB2' ' A' ' 61' ' ' PRO . 42.7 t -72.36 -22.87 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.081 0.467 . . . . 1.77 111.099 -176.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.534 ' HB2' ' H4 ' ' A' ' 87' ' ' SXO . . . -61.27 -29.47 69.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.137 -0.483 . . . . 1.23 111.479 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -105.01 21.68 35.29 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 121.054 -0.593 . . . . 0.77 112.049 -177.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.552 ' HA ' ' HE ' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -99.95 -12.73 19.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.095 0.474 . . . . 4.26 111.003 -179.513 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.557 HG22 HD21 ' A' ' 74' ' ' LEU . 35.2 m -89.7 172.88 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.387 -0.369 . . . . 1.54 111.214 -176.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.49 ' OD2' ' HD2' ' A' ' 34' ' ' ARG . 19.2 t70 -143.84 -45.32 0.27 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.958 -0.565 . . . . 1.75 110.322 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.9 p -104.12 150.49 38.39 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.021 -0.536 . . . . 1.12 111.399 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.459 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 50.8 Cg_exo -56.05 -33.89 90.98 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.183 2.588 . . . . 0.42 112.748 178.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.83 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 45.4 ttm180 -56.36 -46.79 79.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.341 -0.39 . . . . 4.31 110.776 177.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -65.04 -41.87 94.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.094 -0.503 . . . . 2.43 110.541 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.557 HD21 HG22 ' A' ' 68' ' ' VAL . 2.5 tm? -60.22 -50.52 73.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.832 -0.622 . . . . 1.84 109.96 178.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 46.3 tp -59.52 -53.09 62.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.96 -0.564 . . . . 1.74 110.919 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -62.19 -34.82 77.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 1.43 111.359 -174.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -63.7 -54.42 35.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.813 0.34 . . . . 2.22 110.249 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 66.1 mt -67.68 -39.26 81.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.038 0.447 . . . . 1.15 110.845 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -63.13 -43.6 97.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.103 -0.499 . . . . 1.67 110.018 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.4 -32.79 80.2 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.654 -0.703 . . . . 0.54 112.492 178.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.28 -38.37 84.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.956 0.408 . . . . 1.22 110.031 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.408 HD21 ' CG1' ' A' ' 58' ' ' VAL . 91.1 mt -70.63 -34.26 71.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.487 -0.778 . . . . 1.53 110.6 178.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.17 -18.97 65.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.015 -0.539 . . . . 1.34 111.57 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -108.4 13.55 25.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.864 0.364 . . . . 2.67 110.949 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -124.36 161.57 25.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.862 0.363 . . . . 2.45 111.238 -177.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.697 -0.668 . . . . 3.82 110.372 178.53 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SXO . . . . . 0.851 ' H5A' ' HG ' ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.8 mtp . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 109.822 -0.436 . . . . 5.43 109.822 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.571 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . . . -101.82 148.87 24.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.283 -0.417 . . . . 2.67 110.588 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.3 p -84.14 103.41 13.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.829 -0.434 . . . . 2.6 109.829 176.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.7 mt -84.94 164.96 18.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.821 -0.627 . . . . 1.48 110.774 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.617 ' HG ' ' HG ' ' A' ' 75' ' ' LEU . 15.5 tp -83.93 121.04 26.83 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.631 -0.877 . . . . 1.62 108.631 173.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.2 p -114.49 -179.41 3.62 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.471 -0.492 . . . . 1.75 111.361 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.538 HG22 HD12 ' A' ' 31' ' ' LEU . 2.9 p -56.82 -57.01 14.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.533 -0.758 . . . . 1.8 111.267 177.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.446 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 20.3 m-20 -66.32 -27.14 67.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.926 -0.579 . . . . 2.19 111.631 -177.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -64.61 -53.22 51.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.774 0.321 . . . . 1.12 110.569 174.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.6 tp -61.26 -39.18 89.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.65 0.738 . . . . 1.77 109.338 176.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.458 HH21 ' HA ' ' A' ' 27' ' ' SER . 68.5 ttt180 -53.33 -34.71 58.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.567 -1.197 . . . . 2.74 110.969 175.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.784 ' HA ' ' HE ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -82.01 -42.86 18.75 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.543 -0.299 . . . . 4.33 111.597 177.019 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.66 91.44 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.6 0.593 . . . . 1.24 112.6 -171.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.442 HD11 ' CE1' ' A' ' 40' ' ' TYR . 4.2 mm? -63.07 -38.39 91.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.979 0.418 . . . . 1.47 110.266 177.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.2 t -68.59 -35.57 70.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.885 -0.598 . . . . 1.36 110.74 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' CD ' HH21 ' A' ' 51' ' ' ARG . 48.0 mt-10 -57.64 -43.02 84.55 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.998 0.428 . . . . 1.49 110.813 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.9 m -82.32 -30.18 30.63 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.917 -0.583 . . . . 1.61 111.548 -176.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.51 -51.07 7.66 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.85 0.315 . . . . 1.7 111.85 -175.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 68.53 24.73 75.16 Favored Glycine 0 C--N 1.329 0.173 0 C-N-CA 120.349 -0.929 . . . . 2.14 111.798 -174.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -86.52 140.93 29.45 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.904 0.383 . . . . 5.47 110.12 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.2 m -132.19 4.95 4.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.396 0.617 . . . . 4.86 111.009 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -104.51 -61.07 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.028 0.442 . . . . 4.4 110.263 178.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.65 -138.67 10.26 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.664 -0.698 . . . . 2.96 112.143 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.3 p 48.08 64.86 1.48 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.276 0.56 . . . . 3.4 111.529 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -74.23 88.51 2.0 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.675 0.75 . . . . 2.76 110.901 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.7 mp -98.1 65.11 1.71 Allowed 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.839 -0.8 . . . . 2.2 108.839 173.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.458 ' HA ' HH21 ' A' ' 11' ' ' ARG . 7.7 t -124.72 -48.06 1.8 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.51 -0.768 . . . . 2.49 110.24 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.78 -141.45 5.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 1.85 112.633 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -84.15 87.08 7.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.543 0.687 . . . . 2.77 111.038 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -92.34 -24.87 18.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.583 -0.735 . . . . 1.19 111.616 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.538 HD12 HG22 ' A' ' 7' ' ' THR . 62.5 mt -56.75 -28.19 60.72 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.529 0.566 . . . . 1.4 112.529 -178.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -94.13 -5.62 46.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.104 0.478 . . . . 2.29 110.691 -174.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.5 mt -91.22 127.87 36.82 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.815 -0.439 . . . . 1.78 109.815 177.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.47 HH11 ' HD2' ' A' ' 34' ' ' ARG . 34.7 mtm105 -69.95 153.86 42.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.801 -0.181 . . . . 3.44 110.836 -174.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -54.28 -52.26 61.99 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.391 0.515 . . . . 0.68 112.391 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -62.7 -21.29 65.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.001 0.429 . . . . 2.6 111.216 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.409 ' HB3' ' O ' ' A' ' 34' ' ' ARG . 9.6 t70 -82.19 -34.68 28.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.058 -0.519 . . . . 2.03 110.337 -176.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.453 HG13 ' HD2' ' A' ' 40' ' ' TYR . 7.3 pt -89.07 5.97 4.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.273 -0.422 . . . . 1.29 111.312 177.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.17 44.98 42.38 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.953 -0.567 . . . . 0.68 113.426 174.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.453 ' HD2' HG13 ' A' ' 38' ' ' ILE . 24.6 m-85 -111.43 120.45 42.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.124 0.462 . . . . 1.09 110.968 175.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -76.42 162.86 27.5 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.426 -0.806 . . . . 1.93 111.094 -177.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.4 p -50.98 -50.57 58.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.466 -0.788 . . . . 0.92 110.621 174.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.628 HD13 ' HE1' ' A' ' 46' ' ' MET . 56.3 tp -54.37 -53.38 54.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.003 -0.998 . . . . 1.8 111.175 179.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.26 -35.91 81.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.341 -0.39 . . . . 1.21 111.283 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.752 ' HG ' ' H6 ' ' A' ' 87' ' ' SXO . 34.2 tp -69.01 -39.65 79.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.059 -0.519 . . . . 1.38 110.836 -178.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.628 ' HE1' HD13 ' A' ' 43' ' ' LEU . 11.5 ptt? -69.81 -34.84 74.24 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.795 0.331 . . . . 1.79 110.295 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 5.6 mm-40 -64.06 -40.93 97.36 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.913 0.387 . . . . 2.2 110.032 176.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.1 m -61.81 -43.69 98.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.671 -0.695 . . . . 1.25 110.599 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.582 ' HB3' HD11 ' A' ' 60' ' ' ILE . . . -56.88 -43.71 81.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.97 -0.559 . . . . 1.17 111.062 177.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.99 -36.12 80.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.988 -0.551 . . . . 1.2 110.43 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 13.6 mmm180 -59.09 -46.78 87.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.573 -0.739 . . . . 3.4 109.73 176.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.0 mt -65.1 -46.07 82.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.827 -0.624 . . . . 1.25 111.231 -178.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.509 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 51.8 mt-10 -55.28 -60.44 3.4 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.23 -0.441 . . . . 0.51 111.627 -177.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.7 t -68.13 -21.79 64.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.404 -0.362 . . . . 1.97 111.638 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -77.67 -47.13 19.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.977 0.418 . . . . 2.83 111.234 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.415 ' HH ' HD12 ' A' ' 5' ' ' LEU . 91.4 m-85 -94.97 -15.32 23.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.274 -0.421 . . . . 1.36 111.405 -175.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.44 47.51 5.4 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.613 -0.803 . . . . 0.58 111.512 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.509 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 31.8 m -128.58 -169.24 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.496 -0.352 . . . . 1.2 110.677 -177.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.9 t -158.93 135.61 9.44 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.137 -0.69 . . . . 2.17 109.137 173.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.582 HD11 ' HB3' ' A' ' 49' ' ' ALA . 50.6 mt -96.14 124.47 51.59 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 116.32 -0.4 . . . . 1.21 110.127 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 24.2 Cg_exo -63.36 145.35 92.61 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.873 2.382 . . . . 0.96 112.417 -177.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.53 -40.32 78.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.31 -0.859 . . . . 1.99 111.739 -175.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -84.36 -45.26 12.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.256 -0.429 . . . . 2.44 111.501 -175.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.2 t -70.7 -13.41 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 1.77 111.061 -173.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.92 -36.23 80.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.559 0.695 . . . . 1.23 111.039 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.61 49.02 2.07 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.671 -0.695 . . . . 0.77 112.275 -177.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -134.18 14.98 3.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.928 0.394 . . . . 4.26 110.801 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.6 m -137.59 151.38 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 1.54 110.163 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -136.08 -5.17 2.13 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.081 -0.248 . . . . 1.75 111.219 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 64.2 p -126.58 147.76 61.85 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.455 -0.339 . . . . 1.12 110.68 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.406 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 50.8 Cg_exo -56.41 -34.36 94.29 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.276 2.651 . . . . 0.42 112.273 177.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.41 -45.45 72.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.631 -0.713 . . . . 4.31 110.443 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -65.89 -48.58 71.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.126 -0.488 . . . . 2.43 110.857 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.94 -52.04 66.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.675 -0.693 . . . . 1.84 110.239 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.617 ' HG ' ' HG ' ' A' ' 5' ' ' LEU . 3.7 tt -59.55 -44.09 93.36 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.724 -0.671 . . . . 1.74 110.767 -178.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -65.45 -44.54 86.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.959 -0.564 . . . . 1.43 111.751 -177.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.6 tp -61.41 -47.4 85.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.894 -0.594 . . . . 2.22 111.916 -173.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.6 mt -69.57 -28.32 37.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.798 0.333 . . . . 1.15 111.019 -177.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -68.13 -36.72 80.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.373 . . . . 1.67 110.998 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -59.69 -38.4 93.76 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.107 -0.568 . . . . 0.54 112.127 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.44 -40.48 64.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.021 0.438 . . . . 1.22 111.313 -178.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.33 -35.6 80.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.195 -0.457 . . . . 1.53 110.985 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.35 -7.09 28.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.987 -0.551 . . . . 1.34 112.057 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -93.05 -37.7 12.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.702 0.287 . . . . 2.67 111.533 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -124.72 87.35 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.928 0.344 . . . . 2.45 111.928 -174.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.571 ' HB3' ' HB2' ' A' ' 2' ' ' ALA . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.305 -0.855 . . . . 3.82 110.449 178.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SXO . . . . . 0.752 ' H6 ' ' HG ' ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.7 mmm . . . . . 0 N--CA 1.48 1.041 0 CA-C-O 120.688 0.28 . . . . 5.43 110.374 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.92 106.05 7.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.94 0.4 . . . . 2.67 110.324 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.46 126.0 51.16 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.844 -0.616 . . . . 2.6 111.186 -177.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.1 mt -79.66 -175.89 5.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.03 -0.532 . . . . 1.48 110.42 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.595 HD23 ' HB2' ' A' ' 10' ' ' LEU . 7.6 tt -78.05 123.49 26.91 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.205 -0.665 . . . . 1.62 109.205 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.4 p -100.08 164.87 11.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.198 -0.455 . . . . 1.75 111.409 -175.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.473 HG21 HD12 ' A' ' 31' ' ' LEU . 6.6 p -56.31 -49.26 74.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.718 -0.673 . . . . 1.8 110.947 175.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.497 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 3.5 m-20 -66.88 -44.15 81.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.438 -0.801 . . . . 2.19 111.398 -175.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.57 -37.67 84.71 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.014 -0.274 . . . . 1.12 110.851 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.595 ' HB2' HD23 ' A' ' 5' ' ' LEU . 59.1 tp -65.16 -51.79 59.0 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.765 -0.458 . . . . 1.77 109.765 175.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -55.97 -47.76 77.06 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.82 -0.627 . . . . 2.74 112.024 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.535 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 15.0 ptm180 -67.46 -28.86 68.23 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 121.173 -0.211 . . . . 4.33 111.504 -177.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.88 -35.76 79.26 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.743 0.306 . . . . 1.24 111.133 -177.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.584 HD12 HG22 ' A' ' 48' ' ' THR . 4.1 mm? -63.54 -43.88 95.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 1.47 110.373 178.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.0 t -71.73 -34.26 51.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.926 -0.579 . . . . 1.36 111.079 -177.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 45.3 mt-10 -67.51 -35.65 79.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.294 -0.412 . . . . 1.49 111.321 -177.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.8 m -83.7 -17.64 40.64 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.933 -0.307 . . . . 1.61 111.152 175.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.58 -42.75 41.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.457 -0.338 . . . . 1.7 110.816 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.17 61.52 2.63 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.841 -0.695 . . . . 2.14 112.611 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 69.72 131.55 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.725 0.774 . . . . 5.47 111.905 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.8 p -130.69 -173.22 3.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.518 -0.765 . . . . 4.86 110.268 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -122.47 -51.9 1.95 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.63 0.252 . . . . 4.4 110.988 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.71 1.5 15.49 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.501 -0.857 . . . . 2.96 112.988 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.0 m -76.46 78.06 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.211 0.529 . . . . 3.4 110.515 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -100.44 128.82 46.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.821 -0.627 . . . . 2.76 110.133 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.8 mt -111.75 22.17 15.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.319 -0.4 . . . . 2.2 110.994 -176.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.8 t -80.34 98.94 7.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.325 0.583 . . . . 2.49 109.971 176.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 154.32 -149.54 20.93 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.297 -0.865 . . . . 1.85 111.333 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -87.34 69.52 9.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.094 0.473 . . . . 2.77 110.163 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.432 ' O ' ' HG2' ' A' ' 71' ' ' PRO . 37.6 p90 -72.96 -31.3 64.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.005 -0.543 . . . . 1.19 110.433 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.725 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 95.6 mt -58.23 -21.23 47.25 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.972 -0.558 . . . . 1.4 111.944 177.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -94.47 -19.61 20.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.07 0.462 . . . . 2.29 110.6 -176.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.9 mt -90.67 131.61 36.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.993 -0.549 . . . . 1.78 111.235 -176.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -66.43 143.68 56.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.751 -0.204 . . . . 3.44 111.291 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -53.55 -42.21 67.26 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.346 -0.388 . . . . 0.68 111.224 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -54.42 -33.14 58.81 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.683 -0.69 . . . . 2.6 111.625 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -89.74 -27.38 20.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.802 0.334 . . . . 2.03 111.406 -173.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.511 HG13 ' HD2' ' A' ' 40' ' ' TYR . 25.5 pt -87.36 19.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.996 0.427 . . . . 1.29 111.54 -178.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.44 21.73 59.8 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.637 -0.792 . . . . 0.68 113.5 172.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.511 ' HD2' HG13 ' A' ' 38' ' ' ILE . 76.1 m-85 -116.21 98.86 6.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.262 0.554 . . . . 1.09 110.803 177.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -80.13 -179.74 7.2 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.87 -1.059 . . . . 1.93 109.911 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.5 p -50.93 -49.88 58.82 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 122.87 0.468 . . . . 0.92 111.706 -177.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.92 -51.39 69.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.816 -0.629 . . . . 1.8 111.258 -178.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.1 -37.82 88.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.15 0.5 . . . . 1.21 111.007 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.733 ' HG ' ' H4A' ' A' ' 87' ' ' SXO . 41.1 tp -63.5 -46.98 83.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.773 -0.648 . . . . 1.38 111.374 -178.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.1 ptm -65.31 -38.59 90.65 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 121.014 -0.274 . . . . 1.79 111.328 -177.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -66.36 -31.57 72.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.132 0.491 . . . . 2.2 110.826 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.584 HG22 HD12 ' A' ' 14' ' ' LEU . 43.4 m -67.16 -27.44 67.3 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.237 -0.438 . . . . 1.25 111.544 178.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.94 -35.82 71.66 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.066 0.395 . . . . 1.17 112.066 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.99 -26.52 68.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.108 -0.496 . . . . 1.2 111.066 -175.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -66.53 -35.65 80.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.686 -0.688 . . . . 3.4 111.454 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 68.6 mt -83.23 -45.33 13.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.111 0.481 . . . . 1.25 110.905 -176.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -56.58 -55.44 33.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.472 -0.785 . . . . 0.51 111.559 -178.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 55.4 p -66.83 -22.75 65.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 1.97 111.738 -175.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -80.34 -51.85 8.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.306 -0.406 . . . . 2.83 111.17 -175.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.569 ' CZ ' ' HA ' ' A' ' 5' ' ' LEU . 93.5 m-85 -94.69 -7.49 40.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.613 0.244 . . . . 1.36 111.562 -175.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.85 47.17 20.7 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.514 -0.85 . . . . 0.58 111.131 -176.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.8 m -124.39 -171.76 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.461 -0.369 . . . . 1.2 110.18 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -153.97 135.55 14.33 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.149 -0.686 . . . . 2.17 109.149 173.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 70.6 mt -93.42 118.15 67.53 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 116.074 -0.512 . . . . 1.21 109.965 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.44 127.63 26.07 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.871 2.381 . . . . 0.96 112.286 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.3 p-10 -59.77 -34.3 72.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.54 -0.754 . . . . 1.99 112.379 -174.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -77.42 -44.95 27.36 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.767 0.318 . . . . 2.44 110.464 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 44.5 t -71.19 -22.06 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.13 -0.486 . . . . 1.77 110.54 -176.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.503 ' HB1' ' H3 ' ' A' ' 87' ' ' SXO . . . -62.73 -23.42 67.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.961 0.41 . . . . 1.23 110.974 176.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.55 -3.34 62.85 Favored Glycine 0 C--O 1.228 -0.254 0 C-N-CA 121.0 -0.619 . . . . 0.77 112.159 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.42 -11.98 24.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.846 0.355 . . . . 4.26 110.727 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.6 m -89.56 158.88 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.708 -0.478 . . . . 1.54 109.708 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -142.68 -47.15 0.32 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.082 0.468 . . . . 1.75 110.901 -176.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.9 p -103.25 150.13 37.63 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.018 -0.537 . . . . 1.12 110.964 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.725 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 53.2 Cg_exo -55.54 -32.75 84.1 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.132 2.555 . . . . 0.42 112.305 177.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -53.46 -52.49 59.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.011 -0.54 . . . . 4.31 110.491 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.73 -40.04 90.9 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.895 -0.593 . . . . 2.43 110.625 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.56 -48.56 78.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.924 -0.58 . . . . 1.84 110.205 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.524 ' HG ' HD22 ' A' ' 5' ' ' LEU . 5.4 tt -61.05 -51.17 70.33 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.879 -0.6 . . . . 1.74 109.966 178.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -56.23 -42.06 76.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.241 -0.436 . . . . 1.43 111.564 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.74 -54.0 48.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 2.22 111.433 -177.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 43.8 mt -68.51 -33.11 58.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.375 -0.375 . . . . 1.15 111.034 -176.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.48 -44.36 74.94 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.859 -0.336 . . . . 1.67 110.23 176.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.16 -33.51 87.44 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.203 -0.522 . . . . 0.54 112.61 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.3 -39.31 78.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 1.22 110.557 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.3 mt -74.19 -37.9 63.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.031 -0.531 . . . . 1.53 111.514 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.1 -7.42 22.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 1.34 111.993 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -88.33 -9.59 52.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.099 0.476 . . . . 2.67 110.493 -178.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -118.43 161.73 19.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.011 -0.54 . . . . 2.45 110.645 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.17 -0.919 . . . . 3.82 111.448 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SXO . . . . . 0.733 ' H4A' ' HG ' ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 109.81 -0.441 . . . . 5.43 109.81 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.58 166.46 23.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.361 -0.381 . . . . 2.67 110.865 -176.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.5 t -73.0 129.3 37.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.2 -0.454 . . . . 2.6 109.798 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.7 mt -143.5 -178.59 5.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.088 -0.505 . . . . 1.48 109.718 -173.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.821 HD23 ' HG ' ' A' ' 75' ' ' LEU . 4.1 tt -84.39 122.71 29.32 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.513 -0.551 . . . . 1.62 109.513 -177.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.9 p -111.11 165.97 11.45 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.927 -0.397 . . . . 1.75 109.927 178.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.44 HG23 HD12 ' A' ' 31' ' ' LEU . 3.4 m -56.99 -40.39 76.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 1.8 110.839 175.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -70.71 -39.86 73.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.187 -0.461 . . . . 2.19 111.011 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -62.08 -42.77 99.55 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 120.874 0.369 . . . . 1.12 110.196 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.457 ' HB2' HD21 ' A' ' 5' ' ' LEU . 44.0 tp -63.62 -46.03 87.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.978 -0.555 . . . . 1.77 110.024 177.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -54.91 -53.27 57.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.753 -0.658 . . . . 2.74 111.115 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -66.83 -29.62 69.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.308 -0.406 . . . . 4.33 110.923 -175.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.73 -45.98 90.19 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.432 -0.349 . . . . 1.24 110.791 -178.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.591 HD12 HG22 ' A' ' 48' ' ' THR . 4.5 mm? -62.44 -43.52 98.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.078 0.466 . . . . 1.47 110.819 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 67.9 t -66.11 -56.19 15.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.704 -0.68 . . . . 1.36 111.339 -177.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -76.14 -9.17 58.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.415 . . . . 1.49 111.926 -173.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.2 t -80.44 -40.72 25.79 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.986 -0.376 . . . . 1.61 109.986 174.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.49 -45.71 10.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.989 -0.55 . . . . 1.7 111.139 -178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.55 79.81 1.48 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.535 -0.84 . . . . 2.14 111.947 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -60.33 122.6 14.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.925 0.393 . . . . 5.47 111.228 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -131.72 28.28 4.58 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.792 0.806 . . . . 4.86 109.736 174.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -141.98 -79.16 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.382 -0.826 . . . . 4.4 110.584 -177.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.14 86.35 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.23 0 N-CA-C 111.295 -0.722 . . . . 2.96 111.295 -178.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.7 m -104.3 104.38 14.27 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.661 0.267 . . . . 3.4 111.041 -172.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -69.23 81.97 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.051 0.453 . . . . 2.76 110.779 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.7 tp -98.13 7.67 45.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.051 0.929 . . . . 2.2 109.239 177.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.67 0.58 57.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.853 -1.067 . . . . 2.49 111.195 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.08 41.65 2.59 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.955 -0.64 . . . . 1.85 112.307 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.7 t0 71.06 156.78 0.16 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.451 0.7 . . . . 2.77 111.174 -176.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -165.45 -26.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.909 -0.587 . . . . 1.19 111.05 -176.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.673 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 97.1 mt -55.74 -40.51 72.6 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.818 0.673 . . . . 1.4 112.818 -174.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -93.2 -14.6 26.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.206 0.527 . . . . 2.29 110.875 -175.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.6 mt -86.13 146.72 26.47 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.974 -0.557 . . . . 1.78 110.212 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -71.35 149.39 46.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.525 -0.307 . . . . 3.44 110.751 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.423 ' HA ' HG12 ' A' ' 38' ' ' ILE . 67.5 m-85 -54.48 -37.43 65.26 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.949 0.404 . . . . 0.68 110.492 176.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -56.13 -30.37 62.03 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.5 -0.773 . . . . 2.6 111.331 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -92.06 -25.08 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 2.03 112.141 -172.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.481 HG13 ' HD2' ' A' ' 40' ' ' TYR . 26.2 pt -87.34 21.97 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.589 -0.445 . . . . 1.29 111.844 -176.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.64 17.17 80.22 Favored Glycine 0 CA--C 1.52 0.356 0 CA-C-N 115.928 -0.578 . . . . 0.68 114.085 172.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.481 ' HD2' HG13 ' A' ' 38' ' ' ILE . 57.5 m-85 -107.48 115.41 30.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.55 0.675 . . . . 1.09 111.034 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -73.52 161.38 30.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.638 -0.71 . . . . 1.93 110.024 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.743 ' HB2' ' H28' ' A' ' 87' ' ' SXO . 0.0 OUTLIER -50.51 -44.06 55.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 123.438 0.461 . . . . 0.92 111.984 178.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.483 HD12 ' HE3' ' A' ' 46' ' ' MET . 63.0 tp -57.28 -57.83 10.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 1.8 110.868 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.69 -28.65 70.09 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.188 0.518 . . . . 1.21 111.189 -177.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.3 tp -64.65 -51.08 64.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.946 -0.57 . . . . 1.38 110.769 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.483 ' HE3' HD12 ' A' ' 43' ' ' LEU . 18.9 ptt? -72.68 -24.28 61.0 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.821 -0.351 . . . . 1.79 111.153 -177.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 9.9 mm-40 -63.08 -45.9 89.96 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.583 0.706 . . . . 2.2 109.536 175.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.591 HG22 HD12 ' A' ' 14' ' ' LEU . 35.6 m -63.36 -29.25 70.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.215 -0.902 . . . . 1.25 111.592 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.447 ' HB1' HD13 ' A' ' 60' ' ' ILE . . . -57.53 -41.7 81.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.904 0.383 . . . . 1.17 111.398 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.22 -29.35 70.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.747 -0.66 . . . . 1.2 110.827 -177.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 51' ' ' ARG . 8.5 mmm180 -72.06 -36.75 69.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.569 -0.741 . . . . 3.4 110.447 -177.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.7 mt -67.71 -47.18 70.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.973 0.416 . . . . 1.25 110.114 178.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.442 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 55.2 mt-10 -59.04 -47.62 84.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.566 -0.743 . . . . 0.51 110.499 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.1 m -65.4 -30.95 71.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.251 -0.431 . . . . 1.97 111.705 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -71.71 -53.62 12.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 2.83 110.503 -177.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -93.74 -8.79 39.74 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.139 0.422 . . . . 1.36 112.139 -172.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.45 34.82 49.3 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.33 -0.938 . . . . 0.58 111.156 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.442 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 21.7 m -112.2 -173.75 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.039 0.447 . . . . 1.2 110.884 -176.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.439 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 8.2 t -146.93 138.14 24.06 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.95 -0.759 . . . . 2.17 108.95 170.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.447 HD13 ' HB1' ' A' ' 49' ' ' ALA . 67.6 mt -90.86 118.87 68.92 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.232 -0.44 . . . . 1.21 110.072 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.426 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 52.5 Cg_exo -52.95 120.64 7.98 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.718 2.278 . . . . 0.96 112.317 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -56.87 -38.51 72.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.387 -0.824 . . . . 1.99 112.348 -175.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -78.92 -40.04 33.12 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.353 0.597 . . . . 2.44 110.478 -177.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.426 ' HB ' ' HB2' ' A' ' 61' ' ' PRO . 21.9 t -76.02 -27.03 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.922 -0.581 . . . . 1.77 111.544 -176.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.524 ' HB3' ' H3 ' ' A' ' 87' ' ' SXO . . . -61.24 -37.2 82.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.359 . . . . 1.23 111.108 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.54 9.74 41.01 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.724 -0.671 . . . . 0.77 112.702 -178.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -100.52 -16.62 17.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.618 0.246 . . . . 4.26 110.818 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 65' ' ' ALA . 18.9 m -96.2 159.78 2.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 120.898 0.38 . . . . 1.54 111.352 -176.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -143.68 -1.4 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.785 -0.643 . . . . 1.75 110.345 174.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 p -135.53 136.86 24.72 Favored Pre-proline 0 N--CA 1.449 -0.482 0 CA-C-N 115.855 -0.611 . . . . 1.12 111.314 -173.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.673 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 89.8 Cg_exo -50.53 -40.77 54.37 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 124.051 3.167 . . . . 0.42 113.619 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -54.0 -52.13 61.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.954 0.406 . . . . 4.31 111.281 -178.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -64.83 -31.23 72.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.945 -0.57 . . . . 2.43 111.364 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.24 -43.85 76.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.137 -0.483 . . . . 1.84 110.097 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.821 ' HG ' HD23 ' A' ' 5' ' ' LEU . 8.8 tt -58.49 -55.98 27.99 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.905 -0.589 . . . . 1.74 110.666 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.11 -26.98 67.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.224 -0.444 . . . . 1.43 111.555 -178.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.7 tp -64.11 -52.68 58.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.657 0.265 . . . . 2.22 111.178 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.7 mt -67.54 -44.16 86.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 1.15 110.628 -177.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -64.87 -32.25 73.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.411 -0.359 . . . . 1.67 111.388 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.08 -35.46 91.51 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.522 -0.847 . . . . 0.54 111.918 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.45 -30.43 61.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.103 0.478 . . . . 1.22 110.764 177.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.4 mt -72.52 -42.25 65.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.837 -0.62 . . . . 1.53 110.869 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.17 -21.0 66.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.054 0.454 . . . . 1.34 110.965 177.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -63.99 -24.26 67.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.85 -0.614 . . . . 2.67 110.397 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.52 21.34 15.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.674 -0.693 . . . . 2.45 111.131 -178.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.193 -0.908 . . . . 3.82 110.449 -178.412 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SXO . . . . . 0.743 ' H28' ' HB2' ' A' ' 42' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.7 ttp . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 121.421 0.629 . . . . 5.43 110.317 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.05 123.0 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.248 -0.887 . . . . 2.67 109.363 -177.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 p -73.76 105.43 5.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.166 0.508 . . . . 2.6 111.531 -177.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.3 mt -78.12 -174.98 3.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.304 -0.862 . . . . 1.48 109.899 175.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.686 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 2.3 tt -80.4 121.76 26.11 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.932 -1.136 . . . . 1.62 107.932 176.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -121.35 159.26 26.46 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.194 -0.298 . . . . 1.75 110.194 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.465 ' CG2' HD12 ' A' ' 31' ' ' LEU . 3.1 m -55.77 -33.53 64.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.973 -0.558 . . . . 1.8 111.649 -177.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.35 -60.91 3.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.823 -0.626 . . . . 2.19 110.539 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -67.12 -29.47 69.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.192 -0.913 . . . . 1.12 111.434 -178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.21 -44.16 97.71 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.819 -0.437 . . . . 1.77 109.819 176.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -56.29 -32.43 64.58 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.609 -0.723 . . . . 2.74 111.097 176.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -77.48 -42.37 36.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 4.33 111.555 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.73 -37.63 82.4 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.155 0.428 . . . . 1.24 112.155 -173.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.36 -37.12 86.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.102 0.477 . . . . 1.47 110.706 177.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.1 t -73.2 -39.65 56.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.004 0.431 . . . . 1.36 110.036 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -61.38 -37.94 85.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.905 -0.589 . . . . 1.49 111.169 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.782 ' HB3' ' HG3' ' A' ' 51' ' ' ARG . 18.4 p -78.01 -39.88 40.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.577 0.227 . . . . 1.61 111.219 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.1 -57.88 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.946 0.403 . . . . 1.7 110.77 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.28 -16.97 54.59 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.916 -0.659 . . . . 2.14 112.718 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -95.5 145.88 24.85 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.185 -0.302 . . . . 5.47 110.185 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.38 29.57 4.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.075 -0.512 . . . . 4.86 110.852 -174.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -87.56 -70.41 0.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.336 -0.393 . . . . 4.4 111.253 -175.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.36 -4.73 25.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.292 -0.956 . . . . 2.96 111.896 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.1 p -88.85 71.05 8.67 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.026 0.38 . . . . 3.4 112.026 -178.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.34 133.28 47.5 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.374 -0.602 . . . . 2.76 109.374 175.141 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mp -108.58 42.57 1.37 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.914 -0.585 . . . . 2.2 110.103 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.1 t -70.7 -26.81 63.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 2.49 110.168 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -103.81 -162.84 25.0 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.885 -0.674 . . . . 1.85 111.833 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -81.34 131.18 35.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.811 0.339 . . . . 2.77 110.327 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -117.42 -22.98 7.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.971 -0.559 . . . . 1.19 111.045 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.703 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 3.8 mp -60.18 -30.11 69.13 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 112.299 0.481 . . . . 1.4 112.299 -176.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -89.29 -19.6 25.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.178 0.513 . . . . 2.29 110.891 -174.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.5 mt -88.99 151.43 22.3 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.741 -0.663 . . . . 1.78 109.67 177.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.438 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 93.0 mtt180 -73.02 153.96 40.68 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.231 -0.293 . . . . 3.44 110.291 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -55.55 -52.51 63.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.719 0.295 . . . . 0.68 111.44 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.426 ' H ' ' CD ' ' A' ' 36' ' ' GLU . 1.2 mp0 -60.62 -22.44 63.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.3 0.572 . . . . 2.6 110.651 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -82.79 -32.47 27.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.72 -0.673 . . . . 2.03 109.82 -174.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.445 HG13 ' HD2' ' A' ' 40' ' ' TYR . 14.4 pt -91.86 14.66 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.302 -0.408 . . . . 1.29 111.549 176.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.94 20.44 61.14 Favored Glycine 0 CA--C 1.516 0.137 0 C-N-CA 121.021 -0.609 . . . . 0.68 113.632 174.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.445 ' HD2' HG13 ' A' ' 38' ' ' ILE . 55.1 m-85 -108.52 103.57 12.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.192 0.52 . . . . 1.09 110.604 176.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -88.57 -172.67 3.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.445 -0.798 . . . . 1.93 110.55 -175.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.7 p -52.56 -55.3 23.19 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.378 0.671 . . . . 0.92 112.161 -173.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' A' ' 46' ' ' MET . 59.9 tp -61.16 -46.3 91.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.833 -0.621 . . . . 1.8 111.452 -176.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.43 -36.82 85.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.116 0.484 . . . . 1.21 110.979 -178.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.3 tp -67.62 -46.64 71.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.875 -0.602 . . . . 1.38 111.103 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.492 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 5.2 ppp? -66.65 -34.52 78.05 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.119 -0.232 . . . . 1.79 111.176 -176.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.45 -35.23 79.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.942 0.401 . . . . 2.2 110.718 175.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 53.1 m -63.22 -32.49 73.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.985 -0.552 . . . . 1.25 111.045 178.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.48 -48.82 76.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.325 -0.398 . . . . 1.17 110.507 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.81 -26.21 68.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.388 0.613 . . . . 1.2 110.723 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.782 ' HG3' ' HB3' ' A' ' 17' ' ' SER . 3.9 mmp_? -72.3 -35.73 68.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.683 -0.689 . . . . 3.4 110.974 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.543 HD21 HD11 ' A' ' 5' ' ' LEU . 77.8 mt -83.64 -47.95 10.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.584 -0.28 . . . . 1.25 111.554 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.483 ' HA ' HG23 ' A' ' 58' ' ' VAL . 52.5 mt-10 -59.44 -55.51 33.77 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.292 -0.413 . . . . 0.51 111.902 -174.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.5 m -66.14 -20.75 66.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.888 0.375 . . . . 1.97 111.578 -177.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -81.3 -47.56 13.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.117 -0.492 . . . . 2.83 111.15 -175.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.686 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 99.1 m-85 -100.47 -9.33 22.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.169 -0.469 . . . . 1.36 111.845 -175.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.42 50.86 7.82 Favored Glycine 0 N--CA 1.453 -0.175 0 C-N-CA 120.639 -0.791 . . . . 0.58 112.141 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.483 HG23 ' HA ' ' A' ' 53' ' ' GLU . 34.2 m -121.67 -171.81 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.985 0.422 . . . . 1.2 111.016 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.0 m -147.81 117.53 7.1 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.19 -0.67 . . . . 2.17 109.19 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.1 mt -90.08 123.01 67.07 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.831 0.348 . . . . 1.21 110.92 -176.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.408 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 48.1 Cg_exo -56.26 128.88 31.98 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.306 2.671 . . . . 0.96 112.821 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -56.56 -53.04 62.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.485 -0.78 . . . . 1.99 112.375 -175.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -79.71 -29.96 40.86 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.865 -0.334 . . . . 2.44 111.583 -171.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.408 ' HB ' ' HB2' ' A' ' 61' ' ' PRO . 45.4 t -72.71 -36.37 52.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.065 0.459 . . . . 1.77 110.17 -179.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.666 ' HB1' ' H6 ' ' A' ' 87' ' ' SXO . . . -64.8 -15.45 61.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.948 -0.569 . . . . 1.23 111.918 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.4 -11.85 65.97 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.483 -0.865 . . . . 0.77 112.28 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -97.88 -7.77 29.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.649 0.262 . . . . 4.26 111.229 -176.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.4 m -90.16 106.65 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.732 0.777 . . . . 1.54 110.689 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.438 ' O ' ' HA ' ' A' ' 34' ' ' ARG . 12.7 p-10 -91.61 -13.44 31.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.502 -0.772 . . . . 1.75 110.27 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.3 p -130.42 140.55 39.01 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.783 -0.644 . . . . 1.12 110.761 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.703 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 46.6 Cg_exo -57.38 -23.6 55.95 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 123.095 2.53 . . . . 0.42 112.222 176.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -51.44 -55.55 18.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.715 -0.675 . . . . 4.31 110.645 178.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -66.87 -38.21 85.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.641 -0.709 . . . . 2.43 111.545 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.484 HD12 ' H7A' ' A' ' 87' ' ' SXO . 1.7 tt -60.27 -51.54 69.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.327 -0.397 . . . . 1.84 110.227 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.432 ' CD1' HD23 ' A' ' 5' ' ' LEU . 46.8 tp -59.65 -47.27 86.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.369 -0.378 . . . . 1.74 110.451 178.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -56.0 -41.51 74.99 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.798 -0.637 . . . . 1.43 110.78 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.1 tp -61.81 -56.19 22.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.458 -0.792 . . . . 2.22 111.31 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 65.9 mt -61.54 -41.48 90.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.425 . . . . 1.15 111.006 -176.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -58.92 -48.82 80.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.363 -0.381 . . . . 1.67 110.922 176.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.68 -34.4 89.53 Favored Glycine 0 C--N 1.329 0.152 0 C-N-CA 121.042 -0.599 . . . . 0.54 112.491 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.36 -32.58 70.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.042 0.449 . . . . 1.22 110.599 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.6 mt -79.73 -25.61 41.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.96 -0.564 . . . . 1.53 110.797 178.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.39 -32.77 74.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.044 -0.526 . . . . 1.34 111.434 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -95.62 3.0 54.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.281 -0.418 . . . . 2.67 110.978 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.26 114.75 21.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.882 0.372 . . . . 2.45 110.999 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.378 -0.82 . . . . 3.82 109.784 177.41 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SXO . . . . . 0.666 ' H6 ' ' HB1' ' A' ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.843 0.354 . . . . 5.43 110.387 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.04 170.69 7.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.205 -0.452 . . . . 2.67 110.69 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 p -74.74 106.94 6.53 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.102 -0.499 . . . . 2.6 110.546 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.2 mt -77.17 170.68 16.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.286 -0.415 . . . . 1.48 110.756 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.716 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -80.93 125.17 29.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 1.62 109.736 -177.379 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.5 p -107.34 167.76 9.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.97 0.415 . . . . 1.75 111.409 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.468 HG23 HD11 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -58.04 -56.43 22.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.821 -0.627 . . . . 1.8 112.53 178.716 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -63.02 -32.32 73.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.162 -0.472 . . . . 2.19 111.537 -176.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -63.02 -48.15 79.98 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.153 -0.684 . . . . 1.12 109.153 176.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.446 HD21 ' HB3' ' A' ' 71' ' ' PRO . 54.9 tp -60.09 -43.58 95.42 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.181 -0.918 . . . . 1.77 110.306 177.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -53.0 -40.82 64.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 2.74 110.878 178.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -70.37 -33.38 71.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.447 -0.342 . . . . 4.33 111.156 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.79 88.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.375 -0.375 . . . . 1.24 110.979 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.542 ' HB3' ' OH ' ' A' ' 40' ' ' TYR . 3.6 mm? -65.02 -41.33 95.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.922 0.392 . . . . 1.47 110.195 176.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 82.8 t -61.29 -47.56 92.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.092 -0.503 . . . . 1.36 110.744 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.75 -17.81 61.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.453 -0.339 . . . . 1.49 111.628 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.8 m -84.1 -13.91 51.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 1.61 111.187 177.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -139.43 -84.08 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.369 -0.378 . . . . 1.7 110.705 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.46 -11.21 46.91 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.618 -0.801 . . . . 2.14 113.02 176.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -95.22 135.13 37.17 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.899 -0.408 . . . . 5.47 109.899 -178.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 m -103.97 72.41 1.09 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.224 0.535 . . . . 4.86 110.019 -178.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.89 -49.95 66.25 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.198 -0.91 . . . . 4.4 111.3 -178.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 168.78 54.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 111.563 -0.615 . . . . 2.96 111.563 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.2 m -126.42 116.75 21.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.919 -0.141 . . . . 3.4 110.703 -174.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -73.17 72.07 1.2 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.102 0.477 . . . . 2.76 110.864 177.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.2 tp -81.84 -9.21 59.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.194 0.521 . . . . 2.2 110.252 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.6 p -72.72 -21.67 61.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.678 -0.692 . . . . 2.49 110.616 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -103.67 -101.77 2.68 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.872 -0.68 . . . . 1.85 112.492 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -96.45 160.18 14.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.864 0.364 . . . . 2.77 110.622 -174.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -176.44 -32.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.414 -0.812 . . . . 1.19 109.812 -175.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.57 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 29.0 mt -55.91 -49.03 74.58 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 113.755 1.02 . . . . 1.4 113.755 -175.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -93.95 -0.11 55.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.299 0.571 . . . . 2.29 111.049 -170.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.7 mt -87.7 140.31 29.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.91 -0.586 . . . . 1.78 109.864 175.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.42 ' HB3' ' OE1' ' A' ' 36' ' ' GLU . 79.9 mtm180 -70.63 158.55 35.99 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.776 -0.453 . . . . 3.44 109.776 178.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -57.15 -40.82 78.0 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.565 -0.288 . . . . 0.68 111.539 -178.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.42 ' OE1' ' HB3' ' A' ' 34' ' ' ARG . 3.0 pm0 -64.64 -26.48 68.41 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.635 -0.257 . . . . 2.6 111.608 175.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -82.07 -28.57 32.31 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 120.929 0.395 . . . . 2.03 110.144 -175.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.491 HG13 ' HD1' ' A' ' 40' ' ' TYR . 21.2 pt -90.49 3.68 6.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 1.29 111.028 176.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.31 49.45 20.41 Favored Glycine 0 C--N 1.332 0.324 0 CA-C-N 115.964 -0.562 . . . . 0.68 114.097 173.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.542 ' OH ' ' HB3' ' A' ' 14' ' ' LEU . 37.7 m-85 -118.9 122.98 43.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.421 0.61 . . . . 1.09 111.509 177.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -71.67 166.61 21.56 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.288 -0.869 . . . . 1.93 111.347 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.4 p -53.9 -51.27 64.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.848 -0.615 . . . . 0.92 110.896 175.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.501 ' O ' ' HG3' ' A' ' 46' ' ' MET . 33.6 tp -59.63 -40.16 86.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.41 -0.814 . . . . 1.8 111.428 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.33 -41.68 89.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.144 0.497 . . . . 1.21 110.59 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.4 tp -63.79 -39.03 93.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.509 -0.769 . . . . 1.38 111.968 -175.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.501 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 5.1 ppp? -69.16 -32.22 71.4 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.784 -0.367 . . . . 1.79 110.718 -179.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.576 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 30.0 mm-40 -67.07 -38.85 86.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.608 -0.269 . . . . 2.2 110.619 173.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.2 m -57.63 -41.0 80.47 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.163 -0.471 . . . . 1.25 110.81 177.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.59 ' HB1' ' H7A' ' A' ' 87' ' ' SXO . . . -57.22 -49.15 76.9 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.049 -0.523 . . . . 1.17 110.414 176.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.69 -33.21 73.59 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.557 -0.747 . . . . 1.2 111.0 -177.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 4.8 mmp_? -57.71 -45.25 85.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.473 -0.785 . . . . 3.4 110.552 178.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.461 HD23 HD13 ' A' ' 5' ' ' LEU . 70.9 mt -75.09 -45.76 39.15 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.946 -0.57 . . . . 1.25 111.059 -176.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 46.8 mt-10 -56.46 -49.49 74.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.885 -0.598 . . . . 0.51 110.948 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.2 t -63.74 -35.98 82.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.954 -0.566 . . . . 1.97 111.508 -176.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -76.68 -50.04 14.66 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.864 0.32 . . . . 2.83 111.864 -174.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.716 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 89.8 m-85 -93.08 -1.8 56.16 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.249 0.462 . . . . 1.36 112.249 -172.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.48 34.62 79.73 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.257 -0.973 . . . . 0.58 111.531 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.8 m -111.74 -169.17 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.61 -0.295 . . . . 1.2 110.523 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 t -157.66 138.04 12.78 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.718 -0.845 . . . . 2.17 108.718 174.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.8 mt -95.45 112.44 58.84 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 116.192 -0.458 . . . . 1.21 110.16 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -61.05 117.74 4.55 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.155 1.903 . . . . 0.96 111.493 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -66.97 -6.85 18.45 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.471 0.545 . . . . 1.99 112.471 -175.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -78.02 -56.73 4.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.178 0.513 . . . . 2.44 110.364 174.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.4 t -78.83 -12.68 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.998 -0.546 . . . . 1.77 110.962 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.486 ' O ' HG12 ' A' ' 68' ' ' VAL . . . -62.12 -38.72 90.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 1.23 111.792 -178.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.03 38.08 2.71 Favored Glycine 0 C--N 1.321 -0.258 0 C-N-CA 120.72 -0.753 . . . . 0.77 112.153 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -144.77 31.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.896 0.379 . . . . 4.26 110.309 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 65' ' ' ALA . 7.3 p -132.87 126.08 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.178 -0.465 . . . . 1.54 110.263 -178.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -94.08 -43.17 8.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.178 -0.464 . . . . 1.75 111.437 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.55 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 77.0 p -125.98 149.58 66.65 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.953 0.406 . . . . 1.12 112.007 -172.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.57 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 72.1 Cg_exo -47.22 -38.87 26.3 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.763 2.975 . . . . 0.42 112.931 173.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.464 ' HG2' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -56.09 -41.37 75.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 4.31 110.966 -179.692 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.403 ' HB2' HG23 ' A' ' 68' ' ' VAL . 34.2 mt-10 -68.29 -50.37 54.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.973 -0.558 . . . . 2.43 110.285 175.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.29 -46.63 65.99 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.173 -0.921 . . . . 1.84 111.137 -178.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.7 tp -54.83 -54.81 37.51 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.228 -0.896 . . . . 1.74 110.983 -177.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -64.32 -37.42 87.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.958 -0.565 . . . . 1.43 111.06 -176.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.7 tp -63.25 -47.31 82.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.005 -0.543 . . . . 2.22 111.147 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 70.6 mt -65.04 -37.82 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 1.15 110.683 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.8 -42.04 96.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 1.67 110.541 178.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.96 -40.66 99.17 Favored Glycine 0 C--N 1.331 0.269 0 CA-C-N 116.109 -0.496 . . . . 0.54 112.468 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.49 68.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.16 0.505 . . . . 1.22 111.197 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.75 -29.41 45.16 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.726 -0.67 . . . . 1.53 110.671 -177.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.42 -27.5 69.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.301 -0.408 . . . . 1.34 112.006 -177.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -96.3 0.83 51.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.875 0.369 . . . . 2.67 111.118 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -87.59 -34.12 18.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.8 0.333 . . . . 2.45 111.077 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.517 -0.754 . . . . 3.82 110.904 -177.71 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SXO . . . . . 0.59 ' H7A' ' HB1' ' A' ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 111.648 0.24 . . . . 5.43 111.648 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.55 153.84 17.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 2.67 111.185 -175.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -101.66 104.55 15.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.643 0.735 . . . . 2.6 110.319 177.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.4 mt -84.92 176.48 8.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.559 -0.746 . . . . 1.48 110.799 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.558 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 1.8 tt -84.95 122.27 28.96 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.188 -1.041 . . . . 1.62 108.188 174.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.43 165.45 11.39 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.36 0.504 . . . . 1.75 112.36 -174.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.466 HG21 HD12 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -57.7 -57.65 11.81 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.599 0.592 . . . . 1.8 112.599 -178.46 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -62.11 -39.94 94.23 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.076 0.465 . . . . 2.19 110.702 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.451 ' HB3' ' OH ' ' A' ' 56' ' ' TYR . 5.1 m-20 -67.99 -27.92 66.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.825 -0.625 . . . . 1.12 111.186 178.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.4 tp -70.43 -41.76 72.46 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.353 -0.61 . . . . 1.77 109.353 173.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.778 ' HG3' ' HG ' ' A' ' 26' ' ' LEU . 39.2 ttp180 -55.46 -43.92 75.93 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 109.385 -0.598 . . . . 2.74 109.385 173.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.517 ' HB3' ' OE2' ' A' ' 16' ' ' GLU . 53.6 mtp180 -57.69 -39.57 77.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.154 -0.93 . . . . 4.33 111.479 175.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.72 -41.63 91.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.957 -0.565 . . . . 1.24 111.728 -173.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.74 -48.59 78.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.771 0.319 . . . . 1.47 110.532 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 52.1 t -63.37 -51.05 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.688 -0.687 . . . . 1.36 110.699 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.517 ' OE2' ' HB3' ' A' ' 12' ' ' ARG . 53.1 mt-10 -64.61 -19.19 65.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.961 -0.563 . . . . 1.49 112.443 -176.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.418 ' OG ' ' HA ' ' A' ' 48' ' ' THR . 49.6 m -90.17 -63.0 1.34 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.179 0.437 . . . . 1.61 112.179 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.01 -53.44 6.43 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.705 0.288 . . . . 1.7 111.553 -174.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.47 4.51 30.44 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.018 -1.087 . . . . 2.14 113.178 177.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -72.95 119.2 16.86 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.11 -0.7 . . . . 5.47 109.11 175.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.4 p -80.32 -115.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.964 -0.562 . . . . 4.86 111.867 -174.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.68 77.26 2.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.972 0.415 . . . . 4.4 110.286 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.48 -43.64 2.91 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.837 -0.62 . . . . 2.96 112.275 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.3 t -158.09 -168.85 2.61 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.121 -0.325 . . . . 3.4 110.121 -178.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.48 76.88 10.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.286 0.565 . . . . 2.76 111.362 -177.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.778 ' HG ' ' HG3' ' A' ' 11' ' ' ARG . 38.2 tp -83.55 -14.6 51.83 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.861 -0.609 . . . . 2.2 110.069 178.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.5 m -87.87 -9.27 54.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.905 -0.589 . . . . 2.49 111.121 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.94 -136.39 8.46 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.938 -0.648 . . . . 1.85 111.974 178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -81.04 59.5 3.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.765 0.317 . . . . 2.77 110.835 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -65.96 -29.94 70.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.233 0.539 . . . . 1.19 109.971 -178.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.64 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 92.1 mt -57.49 -23.84 52.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.505 -0.77 . . . . 1.4 111.728 176.189 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -94.85 -22.85 17.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 2.29 111.053 -172.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -90.53 150.96 21.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.259 -0.428 . . . . 1.78 110.453 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.553 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . 32.0 mtt180 -72.42 156.41 39.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.946 0.403 . . . . 3.44 111.345 177.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -55.53 -43.05 75.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.025 -0.534 . . . . 0.68 110.623 173.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.18 -28.79 69.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.858 -0.61 . . . . 2.6 111.557 176.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.553 ' OD2' ' HB2' ' A' ' 34' ' ' ARG . 59.7 m-20 -80.49 -29.68 37.38 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 110.332 -0.247 . . . . 2.03 110.332 -175.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.435 HG13 ' HD1' ' A' ' 40' ' ' TYR . 22.0 pt -89.11 5.73 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.839 0.352 . . . . 1.29 110.927 176.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.08 34.52 12.59 Favored Glycine 0 CA--C 1.519 0.316 0 CA-C-N 115.913 -0.585 . . . . 0.68 114.473 172.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.435 ' HD1' HG13 ' A' ' 38' ' ' ILE . 50.3 m-85 -118.27 121.93 41.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 117.332 0.566 . . . . 1.09 110.738 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -93.18 -174.57 3.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.396 -0.82 . . . . 1.93 110.778 -176.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.1 p -56.26 -47.38 78.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.989 -0.551 . . . . 0.92 111.544 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.5 tp -64.7 -51.05 64.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.15 -0.477 . . . . 1.8 110.626 -176.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.29 80.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.845 0.355 . . . . 1.21 110.566 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.0 tp -65.64 -45.81 81.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.101 -0.5 . . . . 1.38 110.975 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.8 ptm -68.89 -34.94 76.24 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.994 -0.283 . . . . 1.79 111.056 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.14 -36.46 83.18 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.867 0.365 . . . . 2.2 110.514 175.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.418 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 50.3 m -63.01 -40.05 96.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 1.25 110.562 175.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.511 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -56.55 -49.67 74.13 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.07 -0.514 . . . . 1.17 111.063 176.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.12 -27.25 65.42 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.766 -0.652 . . . . 1.2 111.516 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -76.18 -29.66 57.76 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.951 -0.568 . . . . 3.4 110.2 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.8 mt -82.24 -39.41 23.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.085 -0.507 . . . . 1.25 111.116 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 51.3 mt-10 -55.9 -57.89 10.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.758 -0.655 . . . . 0.51 111.692 -176.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.2 p -68.88 -27.15 65.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.184 -0.462 . . . . 1.97 111.97 -177.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -77.75 -44.0 29.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.192 -0.458 . . . . 2.83 111.213 -174.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.558 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 90.1 m-85 -105.85 -2.09 23.48 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.815 0.302 . . . . 1.36 111.815 -174.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.16 52.33 6.29 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.762 -0.732 . . . . 0.58 113.055 176.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.5 m -132.88 -176.26 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.133 0.492 . . . . 1.2 111.398 177.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.8 t -145.13 116.61 8.05 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.983 -1.117 . . . . 2.17 107.983 177.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.401 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 91.4 mt -97.79 111.16 58.23 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-O 121.041 0.448 . . . . 1.21 110.987 -172.189 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 5.7 Cg_exo -75.89 149.62 33.42 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.579 2.853 . . . . 0.96 113.154 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.12 -51.47 69.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.382 -0.827 . . . . 1.99 111.858 -175.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -72.58 -29.63 63.69 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.906 -0.588 . . . . 2.44 110.988 -171.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.712 HG12 HD22 ' A' ' 77' ' ' LEU . 43.8 t -78.35 -40.62 25.27 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 116.178 -0.464 . . . . 1.77 110.311 178.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.75 -45.85 81.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.995 -0.548 . . . . 1.23 111.624 -176.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.91 37.18 1.47 Allowed Glycine 0 CA--C 1.52 0.357 0 CA-C-N 115.811 -0.631 . . . . 0.77 113.159 -175.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -133.39 6.47 3.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.964 0.411 . . . . 4.26 110.577 177.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.459 HG22 HD23 ' A' ' 74' ' ' LEU . 34.6 m -93.53 -180.0 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 1.54 109.823 174.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -145.05 -55.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.026 0.441 . . . . 1.75 109.966 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.9 p -108.43 159.47 30.66 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.942 -0.572 . . . . 1.12 110.854 177.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.64 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 87.9 Cg_exo -51.48 -33.28 46.62 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.237 2.625 . . . . 0.42 112.562 175.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -52.29 -53.62 41.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.946 -0.57 . . . . 4.31 110.646 176.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -64.31 -44.0 92.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.328 -0.851 . . . . 2.43 110.417 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.459 HD23 HG22 ' A' ' 68' ' ' VAL . 2.7 tm? -60.59 -47.2 87.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.543 -0.753 . . . . 1.84 110.709 -178.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 41.5 tp -58.06 -51.87 67.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.256 -0.429 . . . . 1.74 110.952 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -64.92 -33.78 76.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.972 -0.558 . . . . 1.43 111.424 -176.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.712 HD22 HG12 ' A' ' 64' ' ' VAL . 54.0 tp -61.37 -42.94 99.51 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.089 0.471 . . . . 2.22 110.414 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 60.6 mt -79.48 -35.03 16.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.816 -0.629 . . . . 1.15 110.433 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -57.87 -44.07 86.42 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.472 -0.331 . . . . 1.67 110.522 175.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -54.82 -39.47 67.99 Favored Glycine 0 C--N 1.334 0.425 0 CA-C-N 115.998 -0.546 . . . . 0.54 113.266 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.72 -42.52 58.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.257 0.551 . . . . 1.22 111.14 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 34.1 mt -68.49 -27.88 66.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.92 -0.582 . . . . 1.53 111.048 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.62 -17.37 64.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.216 -0.447 . . . . 1.34 112.065 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -79.03 -13.47 59.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.599 -0.273 . . . . 2.67 111.271 -177.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.11 132.81 50.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.426 -0.352 . . . . 2.45 111.477 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.911 0 CA-C-N 115.642 -0.708 . . . . 3.82 110.036 176.83 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SXO . . . . . 0.574 HN36 ' H30' ' A' ' 87' ' ' SXO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 110.127 -0.323 . . . . 5.43 110.127 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.53 141.95 28.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.395 -0.366 . . . . 2.67 110.71 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.44 ' HG1' ' HE1' ' A' ' 56' ' ' TYR . 3.5 t -85.3 109.25 18.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.276 0.56 . . . . 2.6 110.246 -179.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.9 154.23 33.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.856 -0.611 . . . . 1.48 111.18 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.6 tp -84.17 127.65 34.06 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.189 -0.671 . . . . 1.62 109.189 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.1 p -110.28 176.47 5.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.872 0.368 . . . . 1.75 111.557 -176.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.446 HG21 HD12 ' A' ' 31' ' ' LEU . 17.7 m -58.13 -53.23 60.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.409 -0.814 . . . . 1.8 110.784 174.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.557 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 37.9 t70 -69.64 -37.97 76.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.021 -0.536 . . . . 2.19 111.38 -174.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -62.81 -37.73 87.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.784 0.326 . . . . 1.12 110.338 177.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.5 tp -63.02 -46.19 88.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.097 -0.501 . . . . 1.77 109.675 173.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 40.4 ttm180 -54.28 -29.14 46.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.483 -0.78 . . . . 2.74 111.647 177.038 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' A' ' 8' ' ' ASP . 2.9 mmp_? -80.0 -33.99 38.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.477 -0.329 . . . . 4.33 111.19 -178.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.56 -38.0 85.88 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.952 0.353 . . . . 1.24 111.952 -174.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.604 HD12 HG23 ' A' ' 48' ' ' THR . 3.6 mm? -62.92 -34.17 76.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.328 -0.396 . . . . 1.47 110.597 179.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.3 t -80.74 -37.19 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.334 -0.394 . . . . 1.36 110.425 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 46.5 mt-10 -60.1 -36.03 76.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.017 -0.538 . . . . 1.49 110.995 177.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.648 ' OG ' ' HA ' ' A' ' 48' ' ' THR . 8.5 m -86.24 -56.99 3.19 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.582 -0.735 . . . . 1.61 111.756 -177.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -113.12 -71.74 0.74 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.667 0.27 . . . . 1.7 111.517 -175.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.85 -92.25 1.33 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.796 -0.716 . . . . 2.14 112.18 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 64.25 -171.2 0.18 Allowed 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 122.79 0.436 . . . . 5.47 111.432 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.9 p -78.8 -164.5 0.6 Allowed 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.461 -0.336 . . . . 4.86 110.872 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -77.55 70.93 4.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.072 0.463 . . . . 4.4 110.92 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.09 -17.68 52.74 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 111.37 -0.692 . . . . 2.96 111.37 175.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.1 t -160.36 -176.33 5.55 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.759 -0.83 . . . . 3.4 108.759 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.62 139.48 47.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.122 0.487 . . . . 2.76 110.642 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.8 mt -114.24 20.73 15.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.467 -0.788 . . . . 2.2 110.152 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 35.4 p -100.6 -26.59 13.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.144 -0.48 . . . . 2.49 110.58 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.96 -164.28 29.29 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.871 -0.68 . . . . 1.85 112.475 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -80.85 79.03 7.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.306 0.574 . . . . 2.77 111.221 -178.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -80.32 -32.93 37.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.898 -0.592 . . . . 1.19 111.668 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.544 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 83.1 mt -55.17 -32.88 62.51 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.202 -0.454 . . . . 1.4 111.472 178.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -95.51 18.65 12.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.597 -0.729 . . . . 2.29 110.915 -169.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.2 mt -140.95 159.82 41.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.534 -0.913 . . . . 1.78 108.534 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 94.2 mtt180 -73.15 160.27 32.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.709 0.29 . . . . 3.44 110.371 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -56.34 -40.05 73.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.14 0.495 . . . . 0.68 110.243 172.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -64.17 -22.52 66.97 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.9 -0.591 . . . . 2.6 111.675 177.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -81.62 -32.39 31.99 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.787 0.327 . . . . 2.03 110.268 -177.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.49 HG13 ' HD2' ' A' ' 40' ' ' TYR . 14.9 pt -91.75 7.53 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.27 -0.423 . . . . 1.29 111.564 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.53 49.62 6.57 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.921 -0.581 . . . . 0.68 114.039 172.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.51 ' CE1' HD13 ' A' ' 14' ' ' LEU . 40.7 m-85 -123.93 112.88 17.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.221 0.534 . . . . 1.09 111.573 176.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.8 161.16 31.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.893 -1.048 . . . . 1.93 110.979 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 1.058 ' HB2' ' H28' ' A' ' 87' ' ' SXO . 0.0 OUTLIER -52.99 -47.43 68.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.806 -0.633 . . . . 0.92 112.313 -179.06 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.577 ' O ' ' HG3' ' A' ' 46' ' ' MET . 57.7 tp -56.25 -53.98 50.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.511 -0.313 . . . . 1.8 111.053 -178.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.03 -34.03 77.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.044 0.45 . . . . 1.21 110.746 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.1 tp -65.48 -45.63 82.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.841 -0.618 . . . . 1.38 111.144 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.577 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 5.1 ppp? -70.61 -32.97 70.52 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.143 -0.223 . . . . 1.79 110.848 -177.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -64.13 -39.36 93.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.122 0.487 . . . . 2.2 110.098 174.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.648 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 55.7 m -64.8 -37.16 86.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.677 -0.692 . . . . 1.25 111.051 178.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.14 -39.16 74.64 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.229 -0.441 . . . . 1.17 111.735 -178.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.22 -29.9 69.04 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.031 -0.531 . . . . 1.2 110.585 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.536 ' HB2' ' O ' ' A' ' 48' ' ' THR . 25.3 mmt180 -61.71 -60.87 3.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.614 -0.721 . . . . 3.4 110.701 177.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.45 -44.03 96.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.892 -0.594 . . . . 1.25 111.156 -176.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.537 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 45.6 mt-10 -59.08 -57.5 12.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.51 111.419 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.4 m -67.02 -31.87 72.7 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.812 0.301 . . . . 1.97 111.812 -176.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -74.69 -45.95 41.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.466 -0.334 . . . . 2.83 111.449 -175.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.44 ' HE1' ' HG1' ' A' ' 3' ' ' THR . 87.0 m-85 -100.0 -2.16 35.21 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.01 0.374 . . . . 1.36 112.01 -175.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.98 39.65 37.47 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.739 -0.743 . . . . 0.58 112.708 176.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.537 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 33.8 m -114.18 177.08 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.717 0.294 . . . . 1.2 110.743 -179.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.412 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 50.3 m -141.51 118.03 10.91 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.024 -0.534 . . . . 2.17 109.82 177.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.1 mt -94.78 108.63 38.87 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 109.565 -0.531 . . . . 1.21 109.565 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 59' ' ' SER . 24.3 Cg_exo -62.99 139.84 75.8 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.6 2.2 . . . . 0.96 111.802 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -61.36 -13.42 19.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.966 -0.561 . . . . 1.99 111.319 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -76.29 -60.59 2.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.099 -0.501 . . . . 2.44 110.745 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.5 p -74.41 -15.76 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.25 0.548 . . . . 1.77 111.233 -177.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.611 ' HB3' ' H5A' ' A' ' 87' ' ' SXO . . . -61.69 -30.29 70.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.912 -0.585 . . . . 1.23 110.979 177.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.31 30.41 8.72 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.734 -0.746 . . . . 0.77 112.01 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -130.93 -17.22 3.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.847 0.356 . . . . 4.26 110.946 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.725 HG21 HD22 ' A' ' 74' ' ' LEU . 16.8 m -91.62 109.15 20.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.424 0.631 . . . . 1.54 111.472 -176.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 34' ' ' ARG . 10.7 p-10 -92.89 -43.04 9.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 1.75 111.051 -178.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.518 ' OG1' ' HG2' ' A' ' 73' ' ' GLU . 75.5 p -102.33 146.85 33.08 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.749 0.309 . . . . 1.12 111.058 179.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.544 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 82.0 Cg_exo -51.37 -34.39 50.12 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.864 2.376 . . . . 0.42 111.548 170.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -54.34 -48.57 71.26 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.262 -0.426 . . . . 4.31 110.702 174.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.518 ' HG2' ' OG1' ' A' ' 70' ' ' THR . 20.6 mm-40 -63.47 -44.92 93.02 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.217 0.532 . . . . 2.43 110.164 179.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.725 HD22 HG21 ' A' ' 68' ' ' VAL . 2.3 tm? -61.48 -50.91 70.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.218 -0.901 . . . . 1.84 110.694 -177.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.3 tp -58.71 -48.83 79.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.858 -0.61 . . . . 1.74 110.721 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -56.52 -42.01 77.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 1.43 111.279 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.0 tp -61.37 -56.52 19.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.839 -0.619 . . . . 2.22 111.183 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.9 mt -66.89 -44.29 88.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.058 -0.519 . . . . 1.15 111.127 -176.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -61.03 -42.59 98.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.422 . . . . 1.67 110.344 -177.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.82 -30.49 76.25 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 121.048 -0.596 . . . . 0.54 112.653 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.87 -32.21 65.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.931 0.396 . . . . 1.22 110.686 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.06 -23.14 63.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.095 -0.502 . . . . 1.53 111.022 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.67 -16.85 64.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 1.34 111.239 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -111.6 13.96 21.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 2.67 110.669 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -117.78 17.59 14.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.177 0.513 . . . . 2.45 110.356 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.92 0 CA-C-N 115.763 -0.653 . . . . 3.82 110.084 -179.856 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SXO . . . . . 1.058 ' H28' ' HB2' ' A' ' 42' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.8 mtp . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 110.005 -0.368 . . . . 5.43 110.005 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.24 138.53 45.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.888 0.375 . . . . 2.67 111.207 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 m -82.4 105.87 13.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.064 -0.517 . . . . 2.6 110.597 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 pp -157.09 -177.03 6.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.288 -0.415 . . . . 1.48 111.192 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.628 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 1.4 tt -79.96 128.45 33.48 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.943 -0.762 . . . . 1.62 108.943 -177.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 54.9 p -101.95 154.5 18.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.714 0.292 . . . . 1.75 110.602 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.7 m -57.97 -37.87 75.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.982 -0.554 . . . . 1.8 110.943 176.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -70.32 -40.18 74.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.292 -0.413 . . . . 2.19 110.689 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.03 -41.73 97.12 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.1 0.476 . . . . 1.12 110.387 174.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.416 HD11 HD11 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -58.73 -50.63 73.19 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.409 -0.814 . . . . 1.77 109.743 177.092 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -55.49 -40.7 72.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.938 -0.574 . . . . 2.74 111.236 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -62.54 -49.37 75.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.58 -0.282 . . . . 4.33 110.947 176.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.67 -39.04 89.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.207 -0.451 . . . . 1.24 111.959 -173.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.451 HD12 ' CZ ' ' A' ' 40' ' ' TYR . 3.8 mm? -60.26 -42.96 96.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.079 0.466 . . . . 1.47 110.602 177.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.1 t -67.81 -51.64 48.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.869 -0.605 . . . . 1.36 110.756 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -59.08 -30.15 67.87 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.903 -0.59 . . . . 1.49 111.794 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.497 ' HB2' ' HG3' ' A' ' 51' ' ' ARG . 9.9 t -84.75 -32.85 23.22 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.831 0.308 . . . . 1.61 111.831 -177.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.45 ' HB1' ' HE1' ' A' ' 40' ' ' TYR . . . -106.06 -78.82 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.362 0.504 . . . . 1.7 112.362 -174.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -150.35 143.11 10.28 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.796 -0.716 . . . . 2.14 112.246 -175.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -79.98 84.4 5.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.015 0.436 . . . . 5.47 111.625 -175.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.6 m 72.1 2.36 4.28 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.325 -0.852 . . . . 4.86 112.16 174.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -131.8 111.19 11.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.999 -0.438 . . . . 4.4 110.421 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.94 -62.0 0.65 Allowed Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.336 -0.706 . . . . 2.96 111.336 178.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.6 p -112.91 91.0 3.5 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.168 0.509 . . . . 3.4 110.594 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -74.15 93.98 2.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.818 -0.628 . . . . 2.76 111.033 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 mp -107.01 30.46 6.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.265 -0.879 . . . . 2.2 109.732 176.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.5 m -77.06 -4.78 46.01 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.695 -0.684 . . . . 2.49 111.328 -176.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.38 -83.65 1.6 Allowed Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.135 -0.786 . . . . 1.85 111.135 175.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -134.39 -177.58 4.66 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.21 -0.663 . . . . 2.77 109.21 174.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -167.94 -32.58 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.71 -0.223 . . . . 1.19 110.791 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.815 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 95.2 mt -52.17 -35.95 50.28 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.81 0.67 . . . . 1.4 112.81 -177.334 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -94.58 -13.82 25.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.817 0.341 . . . . 2.29 111.41 -173.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 98.0 mt -88.35 149.0 23.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.406 -0.361 . . . . 1.78 110.757 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.546 ' O ' HG12 ' A' ' 38' ' ' ILE . 42.2 mtp180 -74.43 143.62 44.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.673 -0.239 . . . . 3.44 110.718 -177.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -54.39 -54.36 41.6 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.947 0.404 . . . . 0.68 112.059 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -21.91 66.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.202 -0.453 . . . . 2.6 112.09 -179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -85.51 -27.03 25.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.927 0.394 . . . . 2.03 110.935 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.549 HG13 ' HD2' ' A' ' 40' ' ' TYR . 19.2 pt -93.01 22.11 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.017 0.437 . . . . 1.29 111.732 177.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.82 43.87 16.6 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.888 -0.596 . . . . 0.68 113.679 171.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.549 ' HD2' HG13 ' A' ' 38' ' ' ILE . 68.1 m-85 -126.82 114.04 17.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.1 0.476 . . . . 1.09 110.686 175.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -71.89 163.85 27.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.534 -0.757 . . . . 1.93 110.284 176.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.4 p -52.66 -45.37 66.7 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.991 -0.55 . . . . 0.92 111.654 177.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.32 -43.79 98.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 1.8 110.686 178.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.87 -32.69 74.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.22 0.533 . . . . 1.21 110.957 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.463 ' HG ' ' H5A' ' A' ' 87' ' ' SXO . 36.1 tp -69.97 -43.45 71.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.648 -0.705 . . . . 1.38 111.297 -178.034 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.6 ptm -66.59 -29.47 69.53 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.975 0.417 . . . . 1.79 109.951 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -64.97 -41.51 95.38 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.936 -0.575 . . . . 2.2 110.7 174.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.494 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 23.2 m -64.46 -38.44 91.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.998 -0.546 . . . . 1.25 110.607 179.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.412 ' HB3' ' H8 ' ' A' ' 87' ' ' SXO . . . -57.9 -44.02 86.53 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.186 -0.461 . . . . 1.17 110.91 176.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.93 75.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.871 -0.604 . . . . 1.2 110.418 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.497 ' HG3' ' HB2' ' A' ' 17' ' ' SER . 14.6 mmt180 -59.31 -42.77 92.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.46 -0.791 . . . . 3.4 110.878 177.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.563 HD21 HD11 ' A' ' 5' ' ' LEU . 91.5 mt -72.16 -47.78 48.32 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.819 -0.628 . . . . 1.25 111.074 -177.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -61.59 -42.33 98.71 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.275 -0.421 . . . . 0.51 111.561 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.9 m -67.21 -25.77 66.28 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.236 0.458 . . . . 1.97 112.236 -177.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -85.13 -46.09 11.44 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.966 -0.294 . . . . 2.83 111.405 -177.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.628 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 97.8 m-85 -95.6 -19.55 19.67 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.054 0.39 . . . . 1.36 112.054 -175.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.38 38.52 45.15 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.65 -0.786 . . . . 0.58 111.871 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.602 HG13 HD21 ' A' ' 82' ' ' LEU . 28.5 m -97.68 -176.43 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.89 0.376 . . . . 1.2 111.208 -175.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.3 p -132.01 107.09 8.44 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.859 -0.609 . . . . 2.17 110.279 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.2 mt -90.67 110.91 44.75 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.068 -0.514 . . . . 1.21 109.954 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.89 119.33 6.33 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.728 2.285 . . . . 0.96 111.398 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -65.26 -4.46 5.32 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.265 -0.425 . . . . 1.99 111.893 -175.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -73.1 -68.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.204 0.526 . . . . 2.44 110.13 177.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 20.0 t -76.1 -17.04 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.605 -0.725 . . . . 1.77 110.979 -177.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -61.74 -33.21 73.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 1.23 111.247 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -82.98 28.78 3.55 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.621 -0.799 . . . . 0.77 112.626 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -137.4 4.03 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.679 0.239 . . . . 4.26 111.226 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.575 HG21 HD22 ' A' ' 74' ' ' LEU . 16.5 m -94.77 110.61 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.47 0.652 . . . . 1.54 110.759 178.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -90.84 -38.16 13.13 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.681 -0.69 . . . . 1.75 111.314 -174.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.9 p -115.41 150.62 44.86 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.08 -0.509 . . . . 1.12 110.885 -179.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.815 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 77.0 Cg_exo -54.66 -26.68 47.63 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.202 2.602 . . . . 0.42 112.727 175.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -54.44 -56.02 22.9 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.159 0.504 . . . . 4.31 110.178 174.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -62.91 -41.31 99.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.321 -0.854 . . . . 2.43 110.399 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.575 HD22 HG21 ' A' ' 68' ' ' VAL . 2.5 tm? -55.89 -53.97 50.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.875 -0.602 . . . . 1.84 110.439 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.416 HD11 HD11 ' A' ' 10' ' ' LEU . 58.7 tp -59.69 -52.51 65.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.917 -0.583 . . . . 1.74 111.206 179.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.67 -35.71 78.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.965 -0.561 . . . . 1.43 111.434 -175.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.43 -50.32 73.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.986 0.422 . . . . 2.22 110.047 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 79.2 mt -70.28 -37.0 69.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.158 -0.474 . . . . 1.15 110.653 -178.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -61.37 -43.46 98.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.601 -0.272 . . . . 1.67 110.776 175.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.73 -36.77 93.21 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.372 -0.442 . . . . 0.54 112.644 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.41 -45.24 66.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.069 0.461 . . . . 1.22 110.917 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.602 HD21 HG13 ' A' ' 58' ' ' VAL . 77.5 mt -70.55 -32.23 69.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.95 -0.568 . . . . 1.53 111.504 -178.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.05 -21.62 66.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.305 -0.407 . . . . 1.34 111.808 -176.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -77.91 -19.17 55.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.351 -0.386 . . . . 2.67 110.875 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -125.04 3.71 7.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.692 0.256 . . . . 2.45 111.692 -176.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.375 -0.821 . . . . 3.82 110.627 179.787 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SXO . . . . . 0.567 H30B HN36 ' A' ' 87' ' ' SXO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 110.472 -0.196 . . . . 5.43 110.472 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 72.69 168.39 0.31 Allowed 'General case' 0 N--CA 1.465 0.324 0 O-C-N 124.061 0.85 . . . . 2.67 111.692 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.1 p -86.41 107.06 17.86 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.605 -0.725 . . . . 2.6 110.424 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 63.4 mt -137.91 -177.1 4.66 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.637 -0.505 . . . . 1.48 109.637 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.567 HD13 HD23 ' A' ' 52' ' ' LEU . 1.6 tt -80.73 123.5 28.25 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.371 -0.974 . . . . 1.62 108.371 178.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 47.7 p -122.78 -178.21 3.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 1.75 111.756 -176.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.9 m -58.06 -55.93 28.59 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.714 -0.675 . . . . 1.8 111.216 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 36.0 t70 -61.97 -35.63 79.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.828 -0.624 . . . . 2.19 110.858 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -65.3 -45.24 85.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.313 -0.403 . . . . 1.12 110.89 177.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.405 HD21 ' HB3' ' A' ' 71' ' ' PRO . 43.1 tp -62.28 -36.8 83.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.111 0.482 . . . . 1.77 109.874 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.437 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 40.3 ttm180 -54.21 -25.94 25.72 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.327 -0.851 . . . . 2.74 111.674 177.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.862 ' HA ' ' HE ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -80.82 -44.67 18.11 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.715 0.265 . . . . 4.33 111.715 -179.045 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.26 86.83 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 112.369 0.507 . . . . 1.24 112.369 -171.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.553 HD12 HG21 ' A' ' 48' ' ' THR . 4.0 mm? -64.21 -32.63 74.28 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.389 0.614 . . . . 1.47 110.646 178.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.448 HG13 ' O ' ' A' ' 19' ' ' GLY . 90.4 t -79.22 -37.33 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.818 -0.628 . . . . 1.36 110.724 -178.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 52.5 mt-10 -57.1 -46.82 82.28 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.056 0.455 . . . . 1.49 111.303 178.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 p -87.19 -42.38 13.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.452 -0.795 . . . . 1.61 112.84 -171.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.401 ' HB2' ' HE1' ' A' ' 40' ' ' TYR . . . -121.18 -58.24 1.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.366 0.876 . . . . 1.7 113.366 -169.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.448 ' O ' HG13 ' A' ' 15' ' ' VAL . . . -80.99 60.67 4.65 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.796 -0.716 . . . . 2.14 114.059 -170.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -79.84 100.76 8.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 117.15 0.475 . . . . 5.47 110.323 176.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.5 p 50.48 38.0 17.27 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.124 0.786 . . . . 4.86 113.124 175.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -105.87 122.51 46.27 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.859 -0.61 . . . . 4.4 109.684 177.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.49 60.24 3.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.084 -0.579 . . . . 2.96 112.858 -176.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.4 t -87.07 -168.0 2.09 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.591 -0.522 . . . . 3.4 109.591 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -110.37 92.67 4.14 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.543 -0.54 . . . . 2.76 109.543 178.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.2 tp -135.62 -9.36 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.273 -0.876 . . . . 2.2 111.201 -175.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.7 m -86.95 81.18 8.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.11 0.481 . . . . 2.49 110.852 -175.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -172.52 -157.76 15.13 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.542 -0.623 . . . . 1.85 111.542 178.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -81.54 81.63 7.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.924 0.869 . . . . 2.77 110.366 178.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -79.98 -17.37 53.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.192 -0.913 . . . . 1.19 111.997 -174.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.517 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 52.7 mt -54.21 -41.26 68.43 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.565 0.58 . . . . 1.4 112.565 -175.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -98.5 4.07 48.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.011 0.434 . . . . 2.29 111.284 -176.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.9 mt -92.79 137.1 32.66 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.275 -0.639 . . . . 1.78 109.275 173.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -71.7 152.24 42.96 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.644 -0.422 . . . . 3.44 110.664 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -55.86 -34.9 65.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.326 0.584 . . . . 0.68 109.563 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -58.05 -31.97 67.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 114.899 -1.046 . . . . 2.6 111.611 175.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -83.62 -39.33 20.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.922 0.391 . . . . 2.03 110.656 -174.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.489 HG13 ' HD2' ' A' ' 40' ' ' TYR . 17.1 pt -89.0 14.9 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.0 -0.545 . . . . 1.29 112.193 -175.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.03 31.17 66.94 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 121.378 -0.439 . . . . 0.68 113.796 174.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.489 ' HD2' HG13 ' A' ' 38' ' ' ILE . 51.7 m-85 -113.41 106.95 15.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.142 0.496 . . . . 1.09 110.411 177.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -86.7 179.63 6.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.575 -0.738 . . . . 1.93 111.594 -177.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.6 p -50.28 -57.85 6.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.919 -1.037 . . . . 0.92 112.71 -177.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.2 tp -58.71 -47.82 83.23 Favored 'General case' 0 C--N 1.334 -0.07 0 CA-C-N 116.412 -0.358 . . . . 1.8 111.217 -176.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.46 -39.53 93.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.046 0.451 . . . . 1.21 110.778 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.1 tp -64.88 -42.27 94.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.821 -0.627 . . . . 1.38 111.398 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.7 ptm -69.39 -30.18 68.09 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.25 -0.58 . . . . 1.79 110.792 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.9 -43.64 82.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.851 0.358 . . . . 2.2 110.082 174.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.553 HG21 HD12 ' A' ' 14' ' ' LEU . 53.9 m -63.32 -37.83 88.78 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.238 -0.437 . . . . 1.25 110.814 175.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.72 -39.92 71.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 1.17 111.619 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.28 -31.69 71.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.257 0.551 . . . . 1.2 110.514 -178.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -64.57 -44.53 90.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.111 -0.949 . . . . 3.4 110.313 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.567 HD23 HD13 ' A' ' 5' ' ' LEU . 76.1 mt -66.92 -46.57 74.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 1.25 110.566 -177.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.545 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 63.4 mt-10 -59.81 -53.28 59.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.51 110.646 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.7 t -63.41 -39.44 94.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.985 -0.552 . . . . 1.97 111.717 -175.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -67.64 -44.77 77.15 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.722 0.267 . . . . 2.83 111.722 -175.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.466 ' CE1' ' HG ' ' A' ' 5' ' ' LEU . 88.6 m-85 -95.51 -20.24 19.18 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.959 0.355 . . . . 1.36 111.959 -174.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.22 36.54 10.83 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.402 -0.904 . . . . 0.58 111.772 -177.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.545 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 33.8 m -107.87 -170.32 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.637 0.256 . . . . 1.2 111.101 -178.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.6 t -156.23 127.54 7.09 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.118 -0.697 . . . . 2.17 109.118 177.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.3 mt -96.7 122.31 57.34 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.173 -0.467 . . . . 1.21 110.626 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -58.02 128.11 27.59 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.814 2.343 . . . . 0.96 111.621 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -64.89 -11.47 38.13 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.354 0.502 . . . . 1.99 112.354 -175.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -78.62 -44.91 22.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.267 0.556 . . . . 2.44 110.158 173.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.494 HG13 ' HG ' ' A' ' 77' ' ' LEU . 21.5 t -74.79 -19.37 16.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.788 -0.642 . . . . 1.77 111.169 -175.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.66 -30.09 67.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 1.23 111.326 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -106.45 19.65 36.33 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.486 -0.864 . . . . 0.77 112.303 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -105.34 -19.81 13.68 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.924 0.342 . . . . 4.26 111.924 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 28.3 m -89.89 171.71 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.829 -0.348 . . . . 1.54 111.697 -174.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -144.64 -31.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.804 -0.635 . . . . 1.75 110.45 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.5 p -127.72 149.75 71.29 Favored Pre-proline 0 C--O 1.238 0.481 0 CA-C-N 115.683 -0.689 . . . . 1.12 111.18 -177.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.517 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 72.7 Cg_exo -52.48 -42.49 61.11 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.259 2.64 . . . . 0.42 112.805 176.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -54.1 -51.86 62.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 4.31 111.052 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -65.84 -43.62 87.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.02 -0.536 . . . . 2.43 110.998 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.9 tt -57.06 -44.59 83.15 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.017 -0.538 . . . . 1.84 110.012 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.511 ' HG ' ' OD1' ' A' ' 79' ' ' ASN . 27.9 tp -55.77 -41.19 73.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.497 -0.774 . . . . 1.74 111.52 -177.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -60.04 -33.74 72.45 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.122 -0.49 . . . . 1.43 111.447 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.494 ' HG ' HG13 ' A' ' 64' ' ' VAL . 4.4 mm? -63.48 -45.26 91.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.502 -0.317 . . . . 2.22 111.251 -178.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 24.5 mt -78.73 -37.21 20.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.549 -0.296 . . . . 1.15 110.446 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.511 ' OD1' ' HG ' ' A' ' 75' ' ' LEU . 9.1 m120 -61.25 -46.39 90.57 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.667 0.27 . . . . 1.67 110.692 177.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.482 ' O ' ' HG2' ' A' ' 84' ' ' GLU . . . -61.67 -38.94 96.72 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.193 -0.527 . . . . 0.54 112.446 -177.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.92 -33.98 72.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.99 0.424 . . . . 1.22 111.056 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.6 mt -75.75 -34.08 60.26 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.824 -0.626 . . . . 1.53 110.949 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.31 -44.3 92.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.27 -0.423 . . . . 1.34 111.611 -178.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 80' ' ' GLY . 10.2 pt-20 -91.41 17.94 7.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.822 0.344 . . . . 2.67 111.261 -177.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -98.87 6.5 46.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.95 0.405 . . . . 2.45 110.715 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 119.04 -0.505 . . . . 3.82 110.232 -178.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SXO . . . . . 0.405 ' N36' ' H30' ' A' ' 87' ' ' SXO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.0 mtp . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 120.459 0.171 . . . . 5.43 111.373 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.95 163.64 15.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.904 0.383 . . . . 2.67 111.809 -174.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.98 106.28 7.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.65 -0.705 . . . . 2.6 110.989 177.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 68.0 mt -80.57 155.83 26.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.773 -0.649 . . . . 1.48 110.747 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.573 HD11 HD23 ' A' ' 52' ' ' LEU . 2.2 tt -83.33 121.83 27.66 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.165 -1.05 . . . . 1.62 108.165 174.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.8 p -121.96 -179.16 4.05 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.357 -0.537 . . . . 1.75 111.373 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.5 m -58.12 -34.43 70.21 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.357 -0.383 . . . . 1.8 111.186 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -68.92 -42.49 76.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.982 0.42 . . . . 2.19 110.585 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -63.14 -45.56 91.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.806 -0.633 . . . . 1.12 110.136 177.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.6 tp -61.84 -40.1 94.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.469 -0.787 . . . . 1.77 110.281 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 11' ' ' ARG . 16.8 ttp180 -53.27 -40.19 64.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.927 -0.579 . . . . 2.74 111.227 178.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -77.3 -37.81 51.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.642 -0.254 . . . . 4.33 111.368 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.48 -35.51 76.07 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.164 0.431 . . . . 1.24 112.164 -174.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.79 -26.49 60.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.942 0.401 . . . . 1.47 110.995 179.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.4 t -86.28 -24.81 6.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.953 0.406 . . . . 1.36 111.013 -178.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -85.5 -20.31 29.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.876 0.37 . . . . 1.49 110.893 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.438 ' HB3' ' HG3' ' A' ' 51' ' ' ARG . 11.6 p -88.93 -63.51 1.28 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.23 -0.441 . . . . 1.61 111.056 177.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.87 -64.28 1.2 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 1.7 110.532 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.86 166.85 41.88 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.87 -0.605 . . . . 2.14 113.894 174.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 59.45 90.44 0.05 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.59 0.756 . . . . 5.47 112.521 177.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.2 p -101.41 77.69 1.8 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.086 0.47 . . . . 4.86 110.734 177.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -73.38 -32.56 64.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.85 -0.614 . . . . 4.4 111.038 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -156.64 54.07 0.41 Allowed Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 111.411 -0.676 . . . . 2.96 111.411 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.4 m -150.25 87.29 1.45 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.98 0.419 . . . . 3.4 109.898 -175.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.0 100.33 7.25 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.439 0.533 . . . . 2.76 112.439 -175.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.9 mp -103.75 19.35 20.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.893 -0.594 . . . . 2.2 109.556 170.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 t -102.87 29.91 5.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.848 -0.615 . . . . 2.49 109.99 -177.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -151.85 -152.17 5.84 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.735 -0.666 . . . . 1.85 111.843 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.2 82.53 2.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.526 0.203 . . . . 2.77 110.692 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -107.61 -9.66 15.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.658 0.266 . . . . 1.19 110.829 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.671 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 93.3 mt -54.42 -25.13 22.99 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 112.572 0.582 . . . . 1.4 112.572 -178.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -93.61 -18.17 22.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.976 0.417 . . . . 2.29 111.724 -171.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.8 mt -92.03 158.17 16.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.333 -0.394 . . . . 1.78 110.776 -177.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -71.83 142.19 49.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.489 0.185 . . . . 3.44 111.353 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -53.62 -53.8 46.66 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.152 -0.476 . . . . 0.68 110.928 174.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -60.17 -23.95 64.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.484 -0.78 . . . . 2.6 111.684 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -83.9 -28.43 27.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.326 -0.397 . . . . 2.03 111.102 -173.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.487 HG13 ' HD2' ' A' ' 40' ' ' TYR . 29.7 pt -90.19 18.05 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.06 0.457 . . . . 1.29 111.467 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.99 39.52 4.56 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 120.99 -0.624 . . . . 0.68 113.723 172.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.487 ' HD2' HG13 ' A' ' 38' ' ' ILE . 64.3 m-85 -125.4 160.18 30.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.121 0.46 . . . . 1.09 110.886 177.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -123.31 159.73 28.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.516 -0.765 . . . . 1.93 109.071 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.985 ' HB2' ' H28' ' A' ' 87' ' ' SXO . 0.2 OUTLIER -49.67 -41.58 43.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.588 0.555 . . . . 0.92 111.665 175.153 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.551 ' O ' ' HG3' ' A' ' 46' ' ' MET . 60.7 tp -57.78 -57.33 13.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 1.8 111.128 177.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.63 -36.84 84.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.764 0.316 . . . . 1.21 111.049 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.5 tp -62.26 -49.01 77.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.203 -0.453 . . . . 1.38 111.088 -178.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.551 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 5.0 ppp? -67.18 -35.92 80.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.628 -0.26 . . . . 1.79 111.1 -178.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -65.29 -35.12 80.05 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.885 0.374 . . . . 2.2 110.622 176.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 57.6 m -64.5 -34.32 77.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.262 -0.426 . . . . 1.25 111.392 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.2 -42.35 77.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.941 0.4 . . . . 1.17 111.223 -178.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.62 -27.08 68.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.847 -0.615 . . . . 1.2 110.794 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.815 ' HA ' ' HE ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -71.04 -37.58 72.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.74 -0.664 . . . . 3.4 110.687 -179.599 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.573 HD23 HD11 ' A' ' 5' ' ' LEU . 88.4 mt -71.43 -48.1 51.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.044 0.45 . . . . 1.25 110.253 178.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.537 ' HA ' HG22 ' A' ' 58' ' ' VAL . 41.9 mt-10 -59.66 -45.27 92.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.399 -0.819 . . . . 0.51 111.494 -177.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.8 p -64.92 -33.37 75.87 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.278 0.473 . . . . 1.97 112.278 -178.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -71.6 -46.69 58.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.342 . . . . 2.83 111.667 -177.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -97.72 -17.32 19.48 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.899 0.333 . . . . 1.36 111.899 -172.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.48 40.63 12.61 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.522 -0.847 . . . . 0.58 111.724 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' A' ' 53' ' ' GLU . 34.9 m -108.85 -170.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 1.2 111.418 -177.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.491 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 64.6 m -153.05 130.36 11.29 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.916 -0.584 . . . . 2.17 109.513 175.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.442 HG21 ' HB2' ' A' ' 65' ' ' ALA . 60.0 mt -95.06 119.49 65.72 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.554 -0.294 . . . . 1.21 110.703 -178.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 19.4 Cg_exo -66.44 140.73 58.78 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.989 2.459 . . . . 0.96 112.674 -177.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -58.62 -27.05 64.34 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.603 -0.726 . . . . 1.99 112.388 -176.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.413 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 4.5 m-20 -74.75 -60.79 2.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.736 0.303 . . . . 2.44 111.271 -175.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.893 HG12 ' HG ' ' A' ' 77' ' ' LEU . 5.4 t -72.9 -23.43 20.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.941 -0.304 . . . . 1.77 111.487 -173.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.442 ' HB2' HG21 ' A' ' 60' ' ' ILE . . . -60.13 -38.51 83.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.085 0.469 . . . . 1.23 111.651 -177.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -91.3 -0.71 73.15 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.598 -0.81 . . . . 0.77 112.559 -177.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 92.9 mtt180 -102.26 1.49 35.88 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 121.062 -0.255 . . . . 4.26 111.669 -177.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.9 m -87.68 168.38 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.593 -0.443 . . . . 1.54 110.587 178.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -149.48 -50.27 0.14 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.48 0.657 . . . . 1.75 109.624 -177.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 34.8 p -105.38 149.9 38.31 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 114.942 -1.026 . . . . 1.12 111.009 176.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.671 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 53.2 Cg_exo -56.8 -32.68 92.42 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.467 2.778 . . . . 0.42 112.609 177.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.452 ' C ' ' HD3' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -56.11 -51.78 66.68 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.281 0.363 . . . . 4.31 110.254 179.507 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -66.9 -41.67 86.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.353 -0.385 . . . . 2.43 110.834 -177.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.1 tp -57.0 -53.37 58.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.064 -0.516 . . . . 1.84 110.273 176.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.0 tp -58.28 -48.02 81.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.778 -0.646 . . . . 1.74 110.74 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -57.63 -46.3 84.31 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.12 -0.491 . . . . 1.43 111.273 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.893 ' HG ' HG12 ' A' ' 64' ' ' VAL . 3.1 tm? -62.55 -45.36 93.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.231 -0.441 . . . . 2.22 110.135 -179.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.0 mt -67.98 -34.84 69.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 1.15 110.361 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.6 -41.57 98.32 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.677 0.275 . . . . 1.67 110.742 175.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -60.75 -34.1 85.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.169 -0.539 . . . . 0.54 112.094 176.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.2 -47.29 44.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.618 0.247 . . . . 1.22 110.56 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -62.52 -32.42 73.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 1.53 111.326 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.27 70.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.324 -0.398 . . . . 1.34 110.826 175.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -83.35 7.78 15.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.328 -0.396 . . . . 2.67 111.248 -177.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.43 -27.62 61.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.101 0.476 . . . . 2.45 110.344 178.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 CA-C-N 115.65 -0.704 . . . . 3.82 109.902 178.26 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SXO . . . . . 0.985 ' H28' ' HB2' ' A' ' 42' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.5 mmm . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 120.34 0.114 . . . . 5.43 110.744 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.83 84.88 0.15 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.724 0.64 . . . . 2.67 111.428 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.8 m -94.24 105.2 17.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.862 -0.608 . . . . 2.6 110.769 -178.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.1 mt -83.27 164.96 19.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.094 -0.503 . . . . 1.48 110.504 175.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.478 HD11 HD11 ' A' ' 52' ' ' LEU . 3.5 tt -83.28 123.32 29.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.759 -0.83 . . . . 1.62 108.759 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.2 p -120.04 -174.41 2.76 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.555 -0.458 . . . . 1.75 112.196 -178.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.491 HG21 HD12 ' A' ' 31' ' ' LEU . 1.6 p -55.81 -56.53 19.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.496 -0.775 . . . . 1.8 111.833 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.89 -38.76 79.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.85 -1.068 . . . . 2.19 110.689 -178.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -64.33 -44.97 89.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.641 -0.708 . . . . 1.12 111.175 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.553 HD12 ' HB3' ' A' ' 71' ' ' PRO . 0.9 OUTLIER -54.99 -50.19 69.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.592 -0.731 . . . . 1.77 109.632 -178.637 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -52.84 -42.44 65.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.419 -0.809 . . . . 2.74 111.382 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 -63.47 -40.47 97.21 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 115.805 -0.634 . . . . 4.33 111.755 -177.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.495 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -60.01 -37.72 80.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.744 0.307 . . . . 1.24 110.685 -175.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.424 ' HB3' ' HH ' ' A' ' 40' ' ' TYR . 3.3 mm? -65.7 -48.37 72.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.976 -0.556 . . . . 1.47 110.933 178.051 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.4 t -67.86 -49.48 68.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.08 -0.509 . . . . 1.36 111.429 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -63.02 -23.84 67.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.376 -0.375 . . . . 1.49 111.433 -177.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.2 t -82.62 -62.9 1.48 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.559 -0.291 . . . . 1.61 110.851 178.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.09 -57.5 4.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.304 -0.407 . . . . 1.7 111.319 -174.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.3 130.64 5.48 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.522 -0.847 . . . . 2.14 112.624 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 65.71 -179.48 0.19 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.234 0.613 . . . . 5.47 112.177 178.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 p -129.23 85.46 2.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.685 -0.689 . . . . 4.86 110.738 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -61.69 -54.66 39.61 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.038 -0.528 . . . . 4.4 111.502 -176.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.404 ' O ' ' HB ' ' A' ' 24' ' ' THR . . . 149.7 124.29 1.27 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.443 -0.884 . . . . 2.96 112.643 178.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 23' ' ' GLY . 14.7 t 177.68 -167.64 0.06 Allowed 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.721 -0.474 . . . . 3.4 109.721 178.474 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.84 96.09 10.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.035 -0.357 . . . . 2.76 110.035 176.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 39.6 tp -149.21 5.83 0.65 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.065 0.46 . . . . 2.2 110.771 -177.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.8 t -82.04 -1.21 47.67 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.186 0.517 . . . . 2.49 110.89 -176.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 171.52 -46.56 0.18 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.611 -0.804 . . . . 1.85 112.004 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.49 99.01 11.96 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.741 -0.466 . . . . 2.77 109.741 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -148.07 -31.74 0.28 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.241 0.46 . . . . 1.19 112.241 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.627 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 72.0 mt -55.62 -27.58 50.4 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.584 0.587 . . . . 1.4 112.584 -178.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -92.21 -19.13 22.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.636 0.255 . . . . 2.29 111.58 -173.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -89.05 143.07 27.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.461 -0.336 . . . . 1.78 110.386 -176.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -70.77 145.53 50.36 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.595 -0.52 . . . . 3.44 109.595 177.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -52.54 -40.87 62.98 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.976 0.417 . . . . 0.68 111.434 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -60.03 -33.09 71.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.884 -0.598 . . . . 2.6 111.107 178.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -84.66 -23.94 29.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.818 -0.628 . . . . 2.03 110.339 -170.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.499 HG13 ' HD1' ' A' ' 40' ' ' TYR . 21.3 pt -90.85 9.4 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 116.192 -0.458 . . . . 1.29 110.869 176.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.86 26.21 35.53 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.928 -0.653 . . . . 0.68 114.378 170.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.499 ' HD1' HG13 ' A' ' 38' ' ' ILE . 59.3 m-85 -105.11 115.0 29.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 117.835 0.817 . . . . 1.09 111.016 178.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.2 179.62 7.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.947 -1.024 . . . . 1.93 111.292 -175.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 63.7 p -50.78 -60.42 3.07 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.368 -0.833 . . . . 0.92 111.657 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.43 ' O ' ' HG3' ' A' ' 46' ' ' MET . 58.3 tp -53.38 -51.01 63.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.454 -0.794 . . . . 1.8 111.434 -179.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.87 97.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.118 -0.492 . . . . 1.21 111.464 -175.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.4 tp -68.21 -43.22 78.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.163 -0.472 . . . . 1.38 111.599 -176.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 4.7 ppp? -70.66 -31.75 68.78 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.762 -0.375 . . . . 1.79 111.07 -176.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -66.44 -37.14 84.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.054 0.454 . . . . 2.2 110.661 173.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.498 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 37.7 m -61.62 -39.12 90.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.724 -0.671 . . . . 1.25 110.715 178.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.44 -48.24 79.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 1.17 110.922 177.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.38 -30.3 70.45 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.893 -0.594 . . . . 1.2 110.718 -177.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.498 ' HB2' ' O ' ' A' ' 48' ' ' THR . 23.1 mmm180 -58.48 -55.16 38.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.754 -0.657 . . . . 3.4 110.81 176.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.495 HD23 ' HB3' ' A' ' 13' ' ' ALA . 90.2 mt -64.58 -43.0 95.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.462 -0.335 . . . . 1.25 111.152 -176.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.617 ' HA ' HG21 ' A' ' 58' ' ' VAL . 46.9 mt-10 -58.02 -56.48 21.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.51 110.891 -178.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.8 m -67.75 -27.25 66.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.008 -0.542 . . . . 1.97 111.695 -177.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -72.16 -46.89 54.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 2.83 111.419 -175.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -94.24 -21.5 19.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.556 -0.293 . . . . 1.36 111.433 -177.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.13 47.93 3.71 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.707 -0.758 . . . . 0.58 111.355 -175.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.617 HG21 ' HA ' ' A' ' 53' ' ' GLU . 17.9 m -124.41 -171.55 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.767 0.317 . . . . 1.2 110.652 -178.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.8 m -151.57 132.77 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.555 -0.535 . . . . 2.17 109.555 174.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 67.5 mt -94.59 124.64 54.46 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 110.257 -0.275 . . . . 1.21 110.257 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.491 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 50.9 Cg_exo -55.42 133.39 57.83 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.925 2.416 . . . . 0.96 111.967 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.2 -53.1 58.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.675 -0.693 . . . . 1.99 112.319 -171.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -79.91 -31.13 40.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.785 0.326 . . . . 2.44 111.738 -174.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.491 ' HB ' ' HB2' ' A' ' 61' ' ' PRO . 30.7 t -74.65 -18.86 16.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.983 0.42 . . . . 1.77 110.555 -178.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.477 ' HB1' ' H4A' ' A' ' 87' ' ' SXO . . . -62.45 -29.56 70.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.167 0.508 . . . . 1.23 111.16 178.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.81 20.2 40.55 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.091 -0.576 . . . . 0.77 112.395 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.423 ' NE ' ' HA ' ' A' ' 67' ' ' ARG . 4.6 mmp_? -117.66 26.87 9.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.593 0.235 . . . . 4.26 110.746 -178.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.737 HG22 HD21 ' A' ' 74' ' ' LEU . 13.8 m -136.3 107.36 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.321 0.582 . . . . 1.54 110.951 -178.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -91.89 -42.07 10.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 1.75 111.181 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.424 ' OG1' ' HG2' ' A' ' 73' ' ' GLU . 69.9 p -105.87 142.68 25.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.318 -0.401 . . . . 1.12 110.952 -179.147 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.627 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 86.9 Cg_exo -52.33 -33.46 55.94 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 123.291 2.661 . . . . 0.42 112.883 177.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -53.99 -52.98 59.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.368 -0.378 . . . . 4.31 111.021 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.424 ' HG2' ' OG1' ' A' ' 70' ' ' THR . 20.4 mm-40 -67.23 -40.98 86.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.779 -0.646 . . . . 2.43 110.448 -178.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.737 HD21 HG22 ' A' ' 68' ' ' VAL . 3.2 tm? -59.16 -45.52 90.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 1.84 110.097 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 tt -57.99 -46.08 85.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.764 -0.653 . . . . 1.74 110.366 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -67.25 -37.7 83.95 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.069 -0.514 . . . . 1.43 111.034 -178.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.92 -48.44 81.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.19 -0.459 . . . . 2.22 111.016 -178.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.4 mt -68.26 -38.0 78.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.258 -0.428 . . . . 1.15 110.641 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -63.78 -38.39 90.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.446 -0.343 . . . . 1.67 110.797 177.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.74 -35.12 91.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.261 -0.495 . . . . 0.54 112.365 178.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.4 -27.82 62.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 1.22 110.598 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.6 mt -78.57 -39.33 37.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.269 -0.423 . . . . 1.53 110.365 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.06 -12.87 42.83 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.972 -0.558 . . . . 1.34 111.046 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -63.05 -52.46 62.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.682 -0.69 . . . . 2.67 110.613 175.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.63 2.67 33.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.98 -0.554 . . . . 2.45 111.548 -174.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.586 -0.721 . . . . 3.82 110.588 -178.268 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SXO . . . . . 0.505 H30B HN36 ' A' ' 87' ' ' SXO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ptp . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 110.193 -0.299 . . . . 5.43 110.193 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.57 151.27 41.38 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.098 -0.501 . . . . 2.67 110.226 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.419 ' HB ' ' HE1' ' A' ' 56' ' ' TYR . 16.0 p -73.54 104.15 4.41 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.868 0.366 . . . . 2.6 111.176 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.8 mt -85.03 176.08 8.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.693 -0.685 . . . . 1.48 110.264 176.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.551 HD11 HD13 ' A' ' 52' ' ' LEU . 6.5 tt -90.61 122.09 33.1 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.707 -0.849 . . . . 1.62 108.707 175.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.2 t -114.79 169.82 8.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.016 0.436 . . . . 1.75 111.269 -178.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -56.82 -39.62 74.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.483 -0.781 . . . . 1.8 112.019 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -60.53 -45.99 91.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.861 -0.609 . . . . 2.19 110.605 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -65.1 -38.95 92.34 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.903 -0.59 . . . . 1.12 111.229 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' A' ' 71' ' ' PRO . 20.5 tp -60.67 -45.75 92.96 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.318 -0.401 . . . . 1.77 110.068 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -56.46 -49.72 73.8 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.137 -0.483 . . . . 2.74 111.855 178.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -71.43 -30.28 65.88 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.832 0.308 . . . . 4.33 111.832 -176.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.48 -36.6 80.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.606 -0.27 . . . . 1.24 111.633 -174.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.643 HD22 ' H8A' ' A' ' 87' ' ' SXO . 4.4 mm? -66.27 -27.32 67.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.158 0.504 . . . . 1.47 110.904 179.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.7 t -86.72 -32.93 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.071 -0.513 . . . . 1.36 110.566 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -78.21 -12.71 60.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.735 -0.666 . . . . 1.49 111.671 -178.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.514 ' HB3' ' HA ' ' A' ' 48' ' ' THR . 13.8 p -85.09 -62.3 1.57 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.784 0.326 . . . . 1.61 110.831 175.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.53 -65.2 1.04 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 1.7 111.576 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.52 154.98 25.36 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.097 -0.573 . . . . 2.14 111.876 -178.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.411 ' C ' ' HG1' ' A' ' 21' ' ' THR . 42.0 mt-10 63.78 -166.5 0.23 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 122.469 0.308 . . . . 5.47 110.866 -179.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.411 ' HG1' ' C ' ' A' ' 20' ' ' GLU . 48.1 p 59.69 51.17 6.47 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.846 0.831 . . . . 4.86 111.946 176.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -80.89 78.37 7.69 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.637 -1.165 . . . . 4.4 109.912 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.47 64.71 0.23 Allowed Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.198 -1.001 . . . . 2.96 112.993 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.497 HG23 ' HG ' ' A' ' 26' ' ' LEU . 7.4 t -164.21 170.45 16.3 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.52 -0.548 . . . . 3.4 109.52 176.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -99.73 85.58 3.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.55 0.691 . . . . 2.76 111.807 -175.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.497 ' HG ' HG23 ' A' ' 24' ' ' THR . 95.1 mt -102.28 7.55 40.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.321 -0.854 . . . . 2.2 108.996 172.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 p -98.76 18.26 17.4 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.853 -1.067 . . . . 2.49 112.578 -172.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 173.04 133.86 1.73 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 119.545 -1.312 . . . . 1.85 113.592 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 55.12 29.15 12.02 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.193 0.812 . . . . 2.77 113.193 172.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -83.55 -20.8 33.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.474 -0.33 . . . . 1.19 111.207 -175.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.569 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 44.8 mt -58.37 -28.01 64.75 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.188 0.44 . . . . 1.4 112.188 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -93.49 -18.69 22.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.233 0.539 . . . . 2.29 110.781 -176.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.5 mt -85.24 132.43 34.27 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.937 -0.574 . . . . 1.78 109.922 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -69.0 154.39 42.15 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.098 -0.334 . . . . 3.44 110.098 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -53.76 -26.29 22.85 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.209 0.528 . . . . 0.68 110.886 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -58.49 -36.77 74.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.318 -0.856 . . . . 2.6 111.955 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -85.26 -27.46 26.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.895 0.379 . . . . 2.03 111.093 -173.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.462 HG13 ' HD2' ' A' ' 40' ' ' TYR . 23.7 pt -90.29 11.07 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.436 -0.347 . . . . 1.29 111.479 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.12 49.5 57.48 Favored Glycine 0 C--N 1.332 0.352 0 CA-C-N 116.01 -0.541 . . . . 0.68 113.82 172.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.462 ' HD2' HG13 ' A' ' 38' ' ' ILE . 37.1 m-85 -121.49 123.64 42.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.283 0.542 . . . . 1.09 111.841 176.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -80.36 164.11 23.37 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.305 -0.861 . . . . 1.93 111.472 177.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.3 p -52.06 -51.39 57.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.993 -1.003 . . . . 0.92 112.22 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.515 ' O ' ' HG2' ' A' ' 46' ' ' MET . 31.3 tp -57.69 -50.55 72.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.646 -0.706 . . . . 1.8 111.316 -177.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.07 77.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.189 0.519 . . . . 1.21 110.412 -179.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.2 tp -63.84 -48.56 76.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.776 -0.647 . . . . 1.38 110.777 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.515 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 22.0 ptm -66.34 -32.67 74.21 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.69 0.281 . . . . 1.79 111.094 -177.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -66.46 -39.13 88.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.995 0.426 . . . . 2.2 110.462 176.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.537 HG21 HD12 ' A' ' 14' ' ' LEU . 25.7 m -62.6 -32.91 74.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.867 -0.606 . . . . 1.25 111.048 177.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.602 ' HB2' HD11 ' A' ' 60' ' ' ILE . . . -57.05 -45.94 82.81 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.003 -0.544 . . . . 1.17 111.338 177.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.91 -29.7 69.75 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.859 -0.61 . . . . 1.2 111.059 -175.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -61.63 -51.25 69.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.55 -0.75 . . . . 3.4 110.388 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.551 HD13 HD11 ' A' ' 5' ' ' LEU . 96.4 mt -70.91 -36.86 72.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.664 -0.698 . . . . 1.25 111.156 -177.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.581 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 49.0 mt-10 -57.66 -58.75 6.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.232 -0.44 . . . . 0.51 110.988 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.3 t -65.16 -35.04 79.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.023 -0.535 . . . . 1.97 111.534 -176.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -70.68 -45.19 65.5 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.115 0.413 . . . . 2.83 112.115 -173.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.419 ' HE1' ' HB ' ' A' ' 3' ' ' THR . 62.0 m-85 -106.68 13.07 28.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.035 0.383 . . . . 1.36 112.035 -175.501 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.24 39.99 97.56 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 121.045 -0.597 . . . . 0.58 112.769 175.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.581 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 29.0 m -116.59 -174.25 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 110.158 -0.312 . . . . 1.2 110.158 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.402 ' HA ' ' HG2' ' A' ' 53' ' ' GLU . 7.2 t -155.42 130.78 9.62 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.109 -0.701 . . . . 2.17 109.109 173.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.602 HD11 ' HB2' ' A' ' 49' ' ' ALA . 58.4 mt -93.89 113.4 60.41 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-O 120.83 0.348 . . . . 1.21 110.327 -176.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 31.1 Cg_exo -62.03 131.54 35.29 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.965 2.443 . . . . 0.96 112.77 -177.104 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -55.59 -30.08 60.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.215 -0.902 . . . . 1.99 111.28 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -75.26 -50.57 15.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.92 -0.582 . . . . 2.44 111.392 -176.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.3 t -74.06 -25.78 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 1.77 111.279 -174.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.429 ' O ' HG13 ' A' ' 68' ' ' VAL . . . -60.66 -38.92 86.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.093 -0.503 . . . . 1.23 112.057 -177.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.62 37.85 2.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.009 -0.615 . . . . 0.77 113.099 -176.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -141.74 -5.28 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.661 -0.317 . . . . 4.26 110.992 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.737 HG11 HD21 ' A' ' 74' ' ' LEU . 7.4 p -102.05 116.35 45.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.582 0.706 . . . . 1.54 111.863 -173.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -95.05 -36.63 11.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.737 -0.665 . . . . 1.75 110.916 175.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.9 p -108.56 135.09 20.06 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.672 -0.694 . . . . 1.12 112.174 -172.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.569 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 57.7 Cg_exo -53.32 -27.42 38.83 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.528 2.819 . . . . 0.42 112.983 176.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.12 -57.02 12.69 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.884 0.373 . . . . 4.31 110.566 176.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.575 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 20.9 mm-40 -62.0 -40.9 97.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.832 -0.622 . . . . 2.43 110.892 -178.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.737 HD21 HG11 ' A' ' 68' ' ' VAL . 1.5 tm? -58.2 -50.85 72.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.886 -0.597 . . . . 1.84 110.137 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.4 tt -58.84 -44.65 91.01 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.892 -0.595 . . . . 1.74 110.882 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.51 -36.28 80.76 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.397 0.517 . . . . 1.43 112.397 -177.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 94.4 mt -62.83 -47.07 85.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.96 0.409 . . . . 2.22 110.428 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.8 mt -70.21 -39.16 76.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.187 -0.461 . . . . 1.15 110.79 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -68.1 -28.56 67.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.543 -0.299 . . . . 1.67 111.48 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.23 -38.66 95.4 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 121.327 -0.463 . . . . 0.54 112.152 178.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.06 -33.7 65.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.04 0.448 . . . . 1.22 110.614 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.2 mt -82.75 -8.23 59.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.018 -0.537 . . . . 1.53 111.605 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.6 -32.87 74.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.041 0.448 . . . . 1.34 110.988 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -108.09 20.81 18.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.959 -0.564 . . . . 2.67 110.853 -177.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.07 135.25 36.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.114 -0.494 . . . . 2.45 110.566 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.46 -0.781 . . . . 3.82 110.27 178.899 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SXO . . . . . 0.643 ' H8A' HD22 ' A' ' 14' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 110.285 -0.265 . . . . 5.43 110.285 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.7 -166.84 0.21 Allowed 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.653 0.595 . . . . 2.67 111.144 177.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -143.87 120.63 11.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.341 0.591 . . . . 2.6 109.729 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 51.0 mt -80.75 163.18 23.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.729 -0.669 . . . . 1.48 110.54 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.6 HD13 HD21 ' A' ' 52' ' ' LEU . 3.1 tt -80.01 122.81 27.2 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.449 -0.945 . . . . 1.62 108.449 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.5 p -109.01 176.11 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.753 0.311 . . . . 1.75 111.326 -176.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -61.69 -54.07 47.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 1.8 111.641 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -67.62 -27.96 67.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.649 -0.251 . . . . 2.19 111.016 -178.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.642 ' HB3' ' OH ' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -62.21 -51.95 65.73 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.338 0.59 . . . . 1.12 109.91 171.032 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.426 ' HG ' HD21 ' A' ' 14' ' ' LEU . 21.6 tp -61.02 -39.89 91.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.269 -0.878 . . . . 1.77 110.776 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -51.99 -39.78 59.94 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.722 -0.672 . . . . 2.74 111.365 177.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.841 ' HA ' ' HE ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -78.24 -40.46 37.16 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.507 -0.315 . . . . 4.33 111.121 -179.719 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.54 98.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.192 -0.458 . . . . 1.24 111.836 -175.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.553 HD13 HG23 ' A' ' 48' ' ' THR . 4.4 mm? -59.99 -43.92 94.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.953 0.406 . . . . 1.47 111.082 177.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.9 t -67.05 -39.4 83.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 1.36 111.095 -177.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 45.5 mt-10 -59.19 -36.81 76.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 1.49 111.063 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 t -85.71 -1.97 57.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.209 -0.45 . . . . 1.61 111.612 -177.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -124.1 -67.04 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.795 0.331 . . . . 1.7 111.883 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.32 -63.59 0.38 Allowed Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 116.142 -0.481 . . . . 2.14 111.905 -177.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -169.74 104.78 0.34 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.118 -0.697 . . . . 5.47 109.118 178.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -124.19 63.47 1.08 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.99 0.424 . . . . 4.86 111.679 -171.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.1 t70 65.83 -84.09 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.353 -0.839 . . . . 4.4 112.118 173.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.79 65.47 0.85 Allowed Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 121.05 -0.595 . . . . 2.96 112.047 -174.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.3 m -90.86 43.38 1.14 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.796 0.808 . . . . 3.4 110.105 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -87.18 54.09 3.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.016 -0.993 . . . . 2.76 110.364 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.8 mp -83.5 26.52 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 2.2 111.822 -175.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.0 m -95.85 -48.78 5.6 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.666 0.269 . . . . 2.49 111.171 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.52 46.03 3.49 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 121.143 -0.551 . . . . 1.85 113.346 -174.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 61.97 104.31 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.764 0.793 . . . . 2.77 112.34 176.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -110.38 1.8 18.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.049 -0.978 . . . . 1.19 111.467 -172.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.507 ' O ' ' HB ' ' A' ' 70' ' ' THR . 26.5 mt -53.23 -37.13 61.77 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.086 0.773 . . . . 1.4 113.086 -174.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -92.13 1.08 57.43 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.932 0.345 . . . . 2.29 111.932 -176.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.8 mt -92.35 132.25 36.88 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.29 -0.634 . . . . 1.78 109.29 174.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -71.43 164.61 25.46 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.875 -0.33 . . . . 3.44 110.161 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -58.06 -29.63 65.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.901 0.381 . . . . 0.68 110.121 174.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -58.97 -32.19 69.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.461 -0.791 . . . . 2.6 111.526 172.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -80.45 -40.57 26.03 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.328 -0.397 . . . . 2.03 110.411 -175.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.402 HG13 ' HD1' ' A' ' 40' ' ' TYR . 23.7 pt -89.66 6.69 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.282 -0.417 . . . . 1.29 111.678 -178.376 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.13 45.55 95.17 Favored Glycine 0 CA--C 1.518 0.254 0 CA-C-N 115.94 -0.573 . . . . 0.68 114.063 173.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.402 ' HD1' HG13 ' A' ' 38' ' ' ILE . 22.9 m-85 -110.99 113.48 26.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.395 0.617 . . . . 1.09 111.506 178.153 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.89 164.17 24.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.854 -1.066 . . . . 1.93 111.808 -178.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.1 p -49.58 -53.62 22.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.808 -1.087 . . . . 0.92 111.573 174.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.401 ' O ' ' HG2' ' A' ' 46' ' ' MET . 54.1 tp -58.49 -40.3 82.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.335 -0.848 . . . . 1.8 110.954 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.68 95.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.083 0.468 . . . . 1.21 110.499 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.511 ' HB3' ' H6A' ' A' ' 87' ' ' SXO . 83.0 mt -62.99 -48.33 79.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.635 -0.711 . . . . 1.38 111.56 -179.102 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.401 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 27.3 ptm -64.7 -34.49 78.44 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.948 -0.301 . . . . 1.79 110.926 -177.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -67.53 -42.72 82.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.358 . . . . 2.2 110.168 174.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.553 HG23 HD13 ' A' ' 14' ' ' LEU . 43.3 m -63.47 -36.51 83.98 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.108 -0.496 . . . . 1.25 111.61 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.462 ' HB3' HD13 ' A' ' 60' ' ' ILE . . . -54.84 -40.6 69.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.366 -0.379 . . . . 1.17 111.488 -178.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.94 -31.83 72.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.042 -0.526 . . . . 1.2 111.1 -176.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -69.33 -44.23 72.09 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.622 -0.717 . . . . 3.4 109.774 -177.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.6 HD21 HD13 ' A' ' 5' ' ' LEU . 48.2 mt -68.53 -48.1 65.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.576 -0.738 . . . . 1.25 110.486 -178.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.52 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 53.0 mt-10 -57.34 -51.89 67.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.884 -0.598 . . . . 0.51 111.145 -177.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.7 t -66.36 -42.79 87.53 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.524 -0.307 . . . . 1.97 111.344 -176.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -70.83 -48.78 52.21 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.285 0.476 . . . . 2.83 112.285 -174.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.642 ' OH ' ' HB3' ' A' ' 9' ' ' ASP . 70.7 m-85 -94.36 6.89 47.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.935 0.398 . . . . 1.36 111.142 -172.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 65.88 44.07 92.6 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.655 -0.702 . . . . 0.58 112.562 175.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.52 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 32.9 m -126.71 -176.06 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.076 0.465 . . . . 1.2 111.253 -176.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.4 p -150.39 135.48 17.77 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 108.732 -0.84 . . . . 2.17 108.732 172.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.462 HD13 ' HB3' ' A' ' 49' ' ' ALA . 60.8 mt -91.52 116.71 66.98 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 110.152 -0.314 . . . . 1.21 110.152 -177.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.15 127.27 24.44 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.09 2.527 . . . . 0.96 112.087 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -61.92 -19.3 62.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.689 -0.687 . . . . 1.99 112.175 -175.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -78.18 -53.76 6.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.006 0.432 . . . . 2.44 110.733 175.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.1 t -74.87 -19.51 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.951 -0.568 . . . . 1.77 111.412 -174.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.5 -39.74 84.81 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.123 0.487 . . . . 1.23 111.472 -177.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.13 35.52 4.73 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.456 -0.878 . . . . 0.77 112.419 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -142.5 42.84 1.62 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.754 0.311 . . . . 4.26 110.802 -177.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.516 HG21 HD22 ' A' ' 74' ' ' LEU . 22.3 m -140.73 166.47 18.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.245 -0.434 . . . . 1.54 110.876 179.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -138.24 -43.84 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 1.75 110.991 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.507 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 77.1 p -107.56 149.64 39.13 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.959 -0.564 . . . . 1.12 111.585 -176.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -57.73 -26.47 73.32 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.81 2.34 . . . . 0.42 111.92 172.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.545 ' HA ' ' HE ' ' A' ' 72' ' ' ARG . 1.1 tpm_? -53.89 -55.75 23.96 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.754 0.311 . . . . 4.31 110.163 174.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -63.66 -46.99 83.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.189 -0.914 . . . . 2.43 110.537 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.516 HD22 HG21 ' A' ' 68' ' ' VAL . 1.4 tm? -58.53 -51.25 70.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.735 -0.666 . . . . 1.84 110.775 -178.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.7 tp -59.18 -44.1 92.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.946 -0.57 . . . . 1.74 111.25 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.77 -36.88 83.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.791 -0.64 . . . . 1.43 111.023 -175.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.28 -52.33 64.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.034 -0.53 . . . . 2.22 110.065 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.0 mt -63.56 -46.65 94.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 1.15 110.823 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -60.64 -38.33 84.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 1.67 111.235 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.62 -37.13 93.27 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 121.117 -0.563 . . . . 0.54 112.339 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.42 -28.89 64.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.013 0.435 . . . . 1.22 110.902 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.408 HD22 ' CG1' ' A' ' 58' ' ' VAL . 67.4 mt -73.87 -19.43 60.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.044 -0.526 . . . . 1.53 111.241 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.55 -25.75 67.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.461 -0.336 . . . . 1.34 111.639 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -100.76 6.96 44.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.073 0.464 . . . . 2.67 110.613 178.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.35 -1.85 50.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.929 -0.578 . . . . 2.45 110.305 179.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.21 -0.9 . . . . 3.82 109.908 179.12 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SXO . . . . . 0.555 HN36 ' H30' ' A' ' 87' ' ' SXO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.4 mt . . . . . 0 CA--C 1.532 0.25 0 CA-C-O 120.987 0.422 . . . . 0.88 111.485 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.635 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 1.2 tt -85.2 123.75 31.07 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.591 -0.522 . . . . 1.0 109.591 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.531 ' OG1' ' HB2' ' A' ' 9' ' ' ASP . 67.9 p -106.15 173.53 6.27 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.138 -0.225 . . . . 1.21 111.437 -177.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.3 p -59.23 -56.78 17.74 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.265 0.555 . . . . 1.3 110.94 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.561 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 32.2 t70 -62.93 -38.73 92.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.49 -0.777 . . . . 2.1899999999999999 111.085 -177.274 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.531 ' HB2' ' OG1' ' A' ' 6' ' ' THR . 0.2 OUTLIER -61.31 -44.94 96.37 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.752 0.311 . . . . 1.1200000000000001 110.36 178.564 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.4 tp -62.74 -46.46 87.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 1.0800000000000001 109.851 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -55.5 -41.9 73.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.583 -0.735 . . . . 2.1699999999999999 111.08 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.561 ' HG2' ' O ' ' A' ' 8' ' ' ASP . 23.9 mmm180 -68.17 -43.47 78.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.315 -0.402 . . . . 3.6600000000000001 110.892 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.3 -41.42 93.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.451 -0.341 . . . . 0.48999999999999999 111.896 -173.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 40' ' ' TYR . 4.3 mm? -59.82 -45.57 91.96 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.976 0.417 . . . . 0.79000000000000004 110.678 176.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 52.8 t -67.66 -48.02 77.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.855 -0.611 . . . . 0.70999999999999996 110.845 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 47.3 mt-10 -57.69 -29.96 65.09 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.22 -0.445 . . . . 1.49 111.556 -177.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.498 ' OG ' ' HG3' ' A' ' 51' ' ' ARG . 18.1 m -81.61 -54.6 5.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.967 0.413 . . . . 1.25 111.405 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 CA-C-O 120.903 0.382 . . . . 1.6799999999999999 111.607 -174.571 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 N--CA 1.46 0.063 0 CA-C-O 121.097 0.475 . . . . 1.6000000000000001 110.343 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.2 m -83.62 11.53 7.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.876 -0.602 . . . . 2.0800000000000001 110.988 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.61 -117.46 1.75 Allowed Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.605 -0.807 . . . . 1.8400000000000001 112.199 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -108.16 108.69 19.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.195 0.521 . . . . 2.77 110.456 -178.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -121.24 -30.94 4.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.39 -0.823 . . . . 0.92000000000000004 111.22 -174.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.3 mt -57.22 -30.37 64.54 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.613 0.597 . . . . 0.78000000000000003 112.613 -177.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -90.62 -17.45 26.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.58 -0.282 . . . . 2.29 111.239 -175.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.0 mt -86.68 150.33 24.27 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.904 -0.406 . . . . 1.23 109.904 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.519 ' HG2' ' OD2' ' A' ' 69' ' ' ASP . 64.3 mtm180 -73.87 161.89 29.67 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.617 -0.512 . . . . 2.8799999999999999 109.617 177.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -54.78 -46.6 74.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.992 0.425 . . . . 0.58999999999999997 111.062 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -65.47 -22.27 66.73 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.117 -0.492 . . . . 2.6000000000000001 112.197 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -79.38 -32.91 43.19 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.873 -0.417 . . . . 2.0299999999999998 109.873 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.457 HG13 ' HD1' ' A' ' 40' ' ' TYR . 15.6 pt -88.93 14.95 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.67000000000000004 110.916 176.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.49 32.18 62.35 Favored Glycine 0 CA--C 1.518 0.233 0 CA-C-N 115.58 -0.736 . . . . 0.62 113.766 172.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 43.6 m-85 -109.3 118.87 37.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.193 0.521 . . . . 0.70999999999999996 111.47 178.106 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.1 150.76 47.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.078 -0.965 . . . . 1.9299999999999999 110.519 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.8 p -52.89 -45.12 67.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.131 -0.486 . . . . 0.91000000000000003 111.736 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.404 ' O ' ' HG2' ' A' ' 46' ' ' MET . 1.7 tm? -64.0 -49.39 72.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.001 -0.545 . . . . 1.3200000000000001 110.255 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.04 -31.37 72.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.231 0.539 . . . . 0.46999999999999997 110.502 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.3 tp -65.65 -46.6 78.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.588 -0.733 . . . . 0.75 111.194 177.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 21.1 ptm -71.15 -25.33 62.51 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.517 -0.473 . . . . 1.26 110.694 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 43.5 mt-10 -64.54 -41.47 96.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.017 0.437 . . . . 2.2000000000000002 109.829 171.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.439 HG21 HD22 ' A' ' 14' ' ' LEU . 42.0 m -61.07 -39.88 91.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.308 -0.86 . . . . 0.54000000000000004 110.606 177.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.494 ' HB1' HD12 ' A' ' 60' ' ' ILE . . . -56.73 -42.13 78.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.76 -0.655 . . . . 0.46000000000000002 111.245 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.16 -32.85 73.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.305 0.574 . . . . 0.48999999999999999 110.436 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.498 ' HG3' ' OG ' ' A' ' 17' ' ' SER . 10.3 mmt180 -68.19 -39.08 82.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.642 -0.708 . . . . 2.8599999999999999 110.195 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.7 mt -62.54 -48.98 77.13 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.751 -0.659 . . . . 0.56000000000000005 110.134 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.538 ' OE2' ' HA ' ' A' ' 59' ' ' SER . 55.2 mt-10 -58.6 -43.77 89.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.677 -0.692 . . . . 0.51000000000000001 110.692 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.0 m -67.24 -25.53 66.13 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.334 0.494 . . . . 1.4199999999999999 112.334 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -89.89 -47.81 7.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.976 0.417 . . . . 2.4199999999999999 111.415 -175.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.635 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 68.7 m-85 -96.75 -6.17 36.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.252 -0.431 . . . . 1.0800000000000001 111.632 -173.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.08 24.77 72.92 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.83 -0.7 . . . . 0.57999999999999996 112.114 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.6 m -97.99 -171.34 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.756 0.312 . . . . 0.45000000000000001 110.617 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.538 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 7.0 t -157.71 132.19 8.4 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.324 -0.621 . . . . 1.6200000000000001 109.324 174.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.494 HD12 ' HB1' ' A' ' 49' ' ' ALA . 56.1 mt -97.57 120.89 59.7 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.291 -0.413 . . . . 0.59999999999999998 110.934 -176.137 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 36.9 Cg_exo -63.2 154.66 66.27 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.564 2.843 . . . . 0.81000000000000005 113.68 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -58.38 -56.96 15.35 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.04 -0.982 . . . . 1.99 112.908 -174.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -72.01 -40.0 68.79 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.673 0.273 . . . . 2.4399999999999999 111.587 -169.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.1 p -73.26 -23.84 20.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.77 -0.372 . . . . 1.1399999999999999 110.995 -175.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.438 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -61.9 -40.18 94.55 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.104 0.478 . . . . 0.68000000000000005 111.127 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.18 1.32 84.54 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.85 -0.691 . . . . 0.77000000000000002 112.751 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -100.65 0.38 39.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.502 -0.41 . . . . 3.6299999999999999 111.781 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 65' ' ' ALA . 28.3 m -91.33 172.3 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.747 -0.381 . . . . 0.94999999999999996 110.355 176.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.519 ' OD2' ' HG2' ' A' ' 34' ' ' ARG . 34.1 t70 -147.71 -47.9 0.17 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.302 -0.408 . . . . 1.75 110.957 -174.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.5 p -110.65 149.68 40.65 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.43 -0.35 . . . . 0.5 111.083 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -52.98 -37.07 77.99 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.639 2.893 . . . . 0.38 113.23 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.513 ' HD2' ' OE2' ' A' ' 73' ' ' GLU . 15.9 ttm180 -54.87 -50.44 68.69 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.463 -0.335 . . . . 3.5600000000000001 110.727 -179.066 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.513 ' OE2' ' HD2' ' A' ' 72' ' ' ARG . 16.8 mm-40 -64.74 -34.3 77.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.818 -0.628 . . . . 2.4300000000000002 110.667 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.89 -47.96 75.95 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.215 -0.661 . . . . 1.22 109.215 176.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 40.9 tp -57.88 -50.35 73.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.509 -0.769 . . . . 1.1200000000000001 110.265 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.66 -42.38 83.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.474 -0.785 . . . . 1.4299999999999999 111.122 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.42 -51.97 66.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.874 -0.603 . . . . 1.6599999999999999 111.248 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.9 mt -70.51 -34.85 59.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.558 -0.292 . . . . 0.40999999999999998 110.821 -176.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -62.37 -47.02 86.0 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.878 0.37 . . . . 1.6699999999999999 110.259 174.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.16 -35.01 91.19 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.802 -0.636 . . . . 0.54000000000000004 112.522 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.18 -34.52 75.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.701 0.286 . . . . 0.72999999999999998 111.037 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.5 mt -72.37 -33.18 67.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.955 0.407 . . . . 0.87 110.45 176.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.86 -0.609 . . . . 1.05 111.521 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.5 HD22 HD13 ' A' ' 82' ' ' LEU . 35.5 mt . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.814 0.34 . . . . 0.88 110.745 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.654 HD11 HD22 ' A' ' 52' ' ' LEU . 0.8 OUTLIER -80.9 124.4 29.08 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.378 -0.601 . . . . 1.0 109.378 -177.834 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.2 p -102.43 177.89 4.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.739 0.304 . . . . 1.21 111.193 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.5 p -58.61 -56.01 27.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.555 0.693 . . . . 1.3 111.219 175.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.542 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 2.4 m-20 -65.6 -42.73 91.32 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.037 -0.983 . . . . 2.1899999999999999 111.305 -174.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -62.63 -33.86 75.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.654 0.264 . . . . 1.1200000000000001 111.009 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.21 -52.51 54.25 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.376 -0.602 . . . . 1.0800000000000001 109.376 177.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -56.63 -39.61 73.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.296 -0.865 . . . . 2.1699999999999999 111.27 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 77.8 mtp180 -64.21 -39.62 94.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 3.6600000000000001 111.367 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.9 -32.88 72.33 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.823 0.344 . . . . 0.48999999999999999 110.969 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.447 HD13 HG21 ' A' ' 48' ' ' THR . 4.2 mm? -65.17 -53.83 38.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.006 -0.543 . . . . 0.79000000000000004 110.224 174.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.3 t -64.95 -40.32 88.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.737 -0.665 . . . . 0.70999999999999996 111.863 -176.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -62.1 -28.26 69.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.972 0.415 . . . . 1.49 111.011 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.2 m -85.76 -42.59 14.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.991 0.424 . . . . 1.25 110.365 174.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 115.666 -0.697 . . . . 1.6799999999999999 110.435 179.076 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.86 0.362 . . . . 1.6000000000000001 110.745 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -88.17 -8.35 55.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.284 -0.416 . . . . 2.0800000000000001 110.915 -176.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -102.94 -161.42 25.65 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.772 -0.728 . . . . 1.8400000000000001 113.204 -175.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -74.83 77.46 2.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.973 0.416 . . . . 2.77 110.692 -178.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -74.66 -27.94 60.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.319 -0.401 . . . . 0.92000000000000004 111.082 -176.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.489 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 96.3 mt -56.09 -31.56 63.35 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.452 0.538 . . . . 0.78000000000000003 112.452 -178.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -94.23 -9.0 37.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.443 -0.344 . . . . 2.29 111.55 -177.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.9 mt -91.47 138.86 31.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.64 -0.255 . . . . 1.23 110.395 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -73.28 163.56 27.92 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.826 -0.435 . . . . 2.8799999999999999 109.826 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.411 ' HA ' HG12 ' A' ' 38' ' ' ILE . 71.2 m-85 -58.22 -35.53 71.81 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.415 -0.357 . . . . 0.58999999999999997 111.385 178.262 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -61.15 -33.88 74.13 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.683 -0.235 . . . . 2.6000000000000001 111.553 174.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -81.91 -27.81 33.18 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.77 0.319 . . . . 2.0299999999999998 110.618 -172.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.411 HG12 ' HA ' ' A' ' 35' ' ' PHE . 27.8 pt -88.81 8.17 3.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.949 0.404 . . . . 0.67000000000000004 110.977 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 60.62 47.81 89.35 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.764 -0.653 . . . . 0.62 113.573 175.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -113.75 119.06 36.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.053 0.454 . . . . 0.70999999999999996 111.191 176.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -64.37 147.58 52.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.215 -0.902 . . . . 1.9299999999999999 111.362 178.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.2 p -51.37 -44.62 62.17 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.836 -0.62 . . . . 0.91000000000000003 111.164 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.8 tp -55.2 -51.5 66.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.768 -0.651 . . . . 1.3200000000000001 110.888 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.97 -30.71 71.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.053 -0.522 . . . . 0.46999999999999997 110.95 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.0 tp -68.84 -44.21 73.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.935 -0.575 . . . . 0.75 111.485 -177.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.2 ptt? -68.13 -29.48 68.4 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.523 -0.471 . . . . 1.26 110.151 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -66.95 -39.35 87.26 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.123 0.487 . . . . 2.2000000000000002 110.432 173.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 54.1 m -63.34 -37.1 85.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.598 -0.728 . . . . 0.54000000000000004 110.9 178.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.5 -44.95 85.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.43 . . . . 0.46000000000000002 111.123 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.05 -30.24 70.21 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.444 -0.798 . . . . 0.48999999999999999 110.688 -177.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 40.0 mmt180 -58.28 -55.09 39.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.683 -0.69 . . . . 2.8599999999999999 110.576 178.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.654 HD22 HD11 ' A' ' 5' ' ' LEU . 86.0 mt -61.27 -44.39 97.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.989 -0.551 . . . . 0.56000000000000005 111.127 -174.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.567 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 53.1 mt-10 -60.48 -56.16 24.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.152 -0.476 . . . . 0.51000000000000001 111.109 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.0 t -65.08 -32.46 74.18 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.015 0.436 . . . . 1.4199999999999999 111.401 -177.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 51' ' ' ARG . 20.0 ttt180 -68.16 -40.34 82.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.918 -0.583 . . . . 2.4199999999999999 111.467 -174.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -115.93 4.62 13.86 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.189 0.44 . . . . 1.0800000000000001 112.189 -175.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.77 37.21 83.94 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.888 -0.672 . . . . 0.57999999999999996 112.499 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.567 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 29.2 m -106.95 -170.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.667 0.27 . . . . 0.45000000000000001 110.825 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 p -155.0 126.69 7.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.995 -0.548 . . . . 1.6200000000000001 109.598 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 60.3 mt -91.92 130.31 38.92 Favored Pre-proline 0 C--N 1.318 -0.778 0 N-CA-C 110.044 -0.354 . . . . 0.59999999999999998 110.044 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.563 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 54.4 Cg_exo -52.34 138.41 55.84 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.918 2.412 . . . . 0.81000000000000005 112.933 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -54.4 -53.47 53.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.017 -0.992 . . . . 1.99 112.436 -174.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -78.89 -37.59 39.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.743 0.306 . . . . 2.4399999999999999 111.259 -176.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.563 ' HB ' ' HB2' ' A' ' 61' ' ' PRO . 43.0 t -72.23 -19.79 19.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.775 0.321 . . . . 1.1399999999999999 111.68 -174.265 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.88 -44.3 94.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.107 0.48 . . . . 0.68000000000000005 111.502 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.39 33.7 5.3 Favored Glycine 0 C--N 1.321 -0.303 0 CA-C-N 115.825 -0.625 . . . . 0.77000000000000002 112.771 -176.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -133.13 9.6 4.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.971 0.415 . . . . 3.6299999999999999 110.854 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.4 m -93.72 129.47 44.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.106 -0.497 . . . . 0.94999999999999996 110.079 176.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -98.32 -44.43 6.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.873 0.368 . . . . 1.75 111.605 -175.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.2 p -117.9 155.49 50.97 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.406 -0.361 . . . . 0.5 111.147 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.489 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 87.6 Cg_exo -48.65 -37.9 35.52 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.284 2.656 . . . . 0.38 113.004 174.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -51.5 -50.93 58.95 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 120.97 0.414 . . . . 3.5600000000000001 110.812 178.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -60.76 -49.42 77.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.414 -0.812 . . . . 2.4300000000000002 110.618 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -56.58 -52.15 65.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.635 -0.711 . . . . 1.22 109.898 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 57.2 tp -59.36 -53.42 58.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.967 -0.561 . . . . 1.1200000000000001 111.313 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -57.22 -42.86 82.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.709 -0.678 . . . . 1.4299999999999999 111.65 -174.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.14 -42.97 99.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.473 -0.33 . . . . 1.6599999999999999 111.248 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.428 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 60.7 mt -67.09 -41.99 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 110.028 -0.36 . . . . 0.40999999999999998 110.028 178.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -59.94 -35.72 75.54 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.389 -0.369 . . . . 1.6699999999999999 110.441 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.43 -38.09 95.32 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.134 -0.555 . . . . 0.54000000000000004 112.069 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.13 -34.23 68.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.939 0.4 . . . . 0.72999999999999998 110.252 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.5 HD13 HD22 ' A' ' 4' ' ' LEU . 95.3 mt -70.61 -37.93 73.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.886 -0.597 . . . . 0.87 110.776 178.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.293 0 CA-C-O 121.02 0.438 . . . . 1.05 110.583 175.762 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 121.113 0.482 . . . . 0.88 111.157 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.767 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 2.8 tt -86.71 122.1 30.15 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 107.724 -1.213 . . . . 1.0 107.724 172.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.86 160.53 15.44 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.416 0.524 . . . . 1.21 112.416 -177.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.62 -51.6 68.07 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 115.547 -0.751 . . . . 1.3 112.908 -175.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -58.58 -44.48 89.82 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.022 0.439 . . . . 2.1899999999999999 111.257 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.29 -33.32 75.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.797 -0.638 . . . . 1.1200000000000001 110.832 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.7 tp -68.69 -44.01 74.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 1.0800000000000001 109.939 174.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -54.99 -43.07 73.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.97 -0.559 . . . . 2.1699999999999999 110.791 176.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -69.68 -33.68 72.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.928 -0.578 . . . . 3.6600000000000001 111.523 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.437 ' HB2' HD21 ' A' ' 52' ' ' LEU . . . -59.88 -45.72 91.58 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.11 0.411 . . . . 0.48999999999999999 112.11 -171.037 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.607 ' HB2' HD21 ' A' ' 26' ' ' LEU . 3.8 mm? -63.15 -38.88 92.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.895 0.378 . . . . 0.79000000000000004 110.649 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.7 t -69.88 -46.69 73.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.285 -0.416 . . . . 0.70999999999999996 110.668 -178.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.82 -31.58 72.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 1.49 111.457 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.5 m -79.52 -39.13 32.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.711 0.291 . . . . 1.25 111.26 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.935 0.398 . . . . 1.6799999999999999 110.372 178.857 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.607 HD21 ' HB2' ' A' ' 14' ' ' LEU . 32.5 tp . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 121.469 0.652 . . . . 1.6000000000000001 109.445 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.5 m -83.21 -47.81 11.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.623 -0.717 . . . . 2.0800000000000001 111.103 -172.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -103.27 -30.93 5.18 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.428 -0.891 . . . . 1.8400000000000001 113.051 -175.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -146.59 145.19 30.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.925 0.363 . . . . 2.77 110.161 -174.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -169.9 -29.25 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.449 0.907 . . . . 0.92000000000000004 113.449 -178.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.636 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 48.0 mt -54.47 -33.06 58.99 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.04 1.126 . . . . 0.78000000000000003 114.04 -170.003 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -102.71 4.42 38.08 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.896 -0.322 . . . . 2.29 111.497 -177.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.1 mt -90.69 130.72 36.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.9 0.381 . . . . 1.23 110.612 176.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -70.79 141.12 51.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.375 -0.375 . . . . 2.8799999999999999 110.577 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -54.54 -40.04 68.29 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.905 0.383 . . . . 0.58999999999999997 111.069 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -58.3 -36.92 74.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.845 -0.616 . . . . 2.6000000000000001 111.211 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -85.21 -18.81 32.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.232 -0.44 . . . . 2.0299999999999998 112.061 -173.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.482 HG13 ' HD1' ' A' ' 40' ' ' TYR . 22.8 pt -95.76 11.2 4.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.635 -0.426 . . . . 0.67000000000000004 111.303 177.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.15 49.64 51.62 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.983 -0.553 . . . . 0.62 113.659 174.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.482 ' HD1' HG13 ' A' ' 38' ' ' ILE . 21.2 m-85 -118.15 114.91 23.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 117.084 0.442 . . . . 0.70999999999999996 110.972 176.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.91 153.43 40.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.305 -0.861 . . . . 1.9299999999999999 110.846 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.6 p -53.64 -43.88 69.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.755 -0.657 . . . . 0.91000000000000003 111.611 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.414 ' O ' ' HG2' ' A' ' 46' ' ' MET . 53.9 tp -64.08 -46.26 85.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.393 -0.367 . . . . 1.3200000000000001 110.526 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.93 -28.18 69.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.405 0.621 . . . . 0.46999999999999997 110.825 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.6 tp -70.3 -43.96 69.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.633 -0.712 . . . . 0.75 110.615 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.414 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 27.4 ptm -72.12 -27.1 62.41 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.711 0.291 . . . . 1.26 110.438 178.451 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.59 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 19.0 mm-40 -59.77 -50.45 73.78 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.561 -0.533 . . . . 2.2000000000000002 109.561 172.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.526 HG21 HD13 ' A' ' 14' ' ' LEU . 22.8 m -61.35 -41.54 97.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.501 -0.772 . . . . 0.54000000000000004 110.745 178.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.81 -49.63 72.69 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.972 -0.558 . . . . 0.46000000000000002 111.963 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.86 -31.54 70.99 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.402 0.62 . . . . 0.48999999999999999 110.73 -175.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.59 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 19.2 mmt180 -65.3 -38.96 91.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.231 -0.895 . . . . 2.8599999999999999 110.417 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.628 HD13 HD11 ' A' ' 5' ' ' LEU . 65.6 mt -81.21 -35.55 31.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.835 -0.62 . . . . 0.56000000000000005 111.283 -177.087 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -58.9 -43.12 90.97 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.501 -0.555 . . . . 0.51000000000000001 109.501 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.2 m -65.77 -39.81 91.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.723 -0.671 . . . . 1.4199999999999999 111.33 176.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -68.66 -54.34 16.9 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.508 0.558 . . . . 2.4199999999999999 112.508 -176.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.767 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 29.8 m-85 -96.89 -1.2 46.39 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.267 -0.424 . . . . 1.0800000000000001 111.23 -170.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.12 33.43 65.1 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.793 -0.718 . . . . 0.57999999999999996 112.374 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.0 m -106.45 -173.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.064 0.459 . . . . 0.45000000000000001 111.09 -177.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.4 m -152.44 122.95 7.28 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 109.313 -0.625 . . . . 1.6200000000000001 109.313 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 63.7 mt -93.75 116.47 66.49 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 116.503 -0.317 . . . . 0.59999999999999998 110.153 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -57.79 136.13 73.5 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.064 2.509 . . . . 0.81000000000000005 112.386 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -59.37 -39.35 83.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.82 -0.627 . . . . 1.99 111.682 -175.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -77.15 -39.47 49.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.288 -0.415 . . . . 2.4399999999999999 111.332 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.1 t -73.13 -26.3 22.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.06 0.457 . . . . 1.1399999999999999 110.448 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.92 99.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.294 0.568 . . . . 0.68000000000000005 110.823 176.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.66 32.93 4.07 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.485 -0.779 . . . . 0.77000000000000002 113.267 -175.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -145.26 11.69 1.34 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 117.006 0.403 . . . . 3.6299999999999999 111.337 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.4 m -97.98 175.42 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.577 -0.283 . . . . 0.94999999999999996 110.311 176.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.47 -51.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.008 0.432 . . . . 1.75 111.287 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.5 p -100.6 142.63 24.99 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.161 -0.472 . . . . 0.5 111.72 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.636 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 79.6 Cg_exo -51.11 -32.16 38.53 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.777 2.985 . . . . 0.38 113.203 176.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -53.25 -55.05 27.63 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 123.358 0.411 . . . . 3.5600000000000001 111.05 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.36 -43.55 98.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.619 -0.718 . . . . 2.4300000000000002 109.679 -177.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 74' ' ' LEU . 1.4 tm? -59.73 -46.55 88.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.523 -0.762 . . . . 1.22 110.137 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.9 tp -60.07 -54.17 49.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.465 -0.788 . . . . 1.1200000000000001 111.323 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -70.01 -27.89 65.05 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.911 -0.586 . . . . 1.4299999999999999 111.275 -175.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.14 -55.63 20.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.483 -0.326 . . . . 1.6599999999999999 111.03 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 61.6 mt -62.08 -46.45 96.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.40999999999999998 110.367 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -66.85 -20.79 65.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 1.6699999999999999 111.032 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.11 -33.6 65.06 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.154 -0.546 . . . . 0.54000000000000004 111.899 177.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.92 -32.11 63.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.339 0.59 . . . . 0.72999999999999998 110.27 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 83.9 mt -86.01 -10.66 54.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.659 -0.7 . . . . 0.87 111.08 -178.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 120.947 0.403 . . . . 1.05 111.548 -178.02 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 C--O 1.234 0.237 0 CA-C-O 121.047 0.451 . . . . 0.88 110.983 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.539 ' HG ' ' HG ' ' A' ' 75' ' ' LEU . 11.2 tp -83.82 121.22 27.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.361 -0.836 . . . . 1.0 108.899 172.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.52 172.93 6.54 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.465 0.543 . . . . 1.21 112.465 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -55.75 -56.79 16.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.371 -0.831 . . . . 1.3 111.967 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -60.95 -38.63 86.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 2.1899999999999999 111.357 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.04 -45.32 95.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.987 -0.551 . . . . 1.1200000000000001 110.927 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.412 HD22 HD12 ' A' ' 75' ' ' LEU . 50.2 tp -63.87 -46.25 85.77 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.968 -0.382 . . . . 1.0800000000000001 109.968 176.195 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -55.31 -33.76 63.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.077 -0.511 . . . . 2.1699999999999999 111.711 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.604 ' NH2' HG21 ' A' ' 15' ' ' VAL . 4.2 mmp_? -71.19 -33.8 70.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.452 -0.155 . . . . 3.6600000000000001 111.192 177.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.76 91.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.703 0.287 . . . . 0.48999999999999999 111.451 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.468 ' HB3' ' OH ' ' A' ' 40' ' ' TYR . 3.0 mm? -67.25 -24.96 65.86 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.493 0.663 . . . . 0.79000000000000004 110.482 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.604 HG21 ' NH2' ' A' ' 12' ' ' ARG . 59.6 t -84.97 -23.56 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.601 -0.727 . . . . 0.70999999999999996 110.362 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.478 ' OE1' ' HD2' ' A' ' 51' ' ' ARG . 41.8 mt-10 -74.8 -34.84 62.47 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.982 -0.554 . . . . 1.49 110.975 175.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.8 p -82.53 -61.73 1.81 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.865 0.364 . . . . 1.25 111.299 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 CA-C-O 121.096 0.474 . . . . 1.6799999999999999 110.599 -178.848 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.407 ' N ' HD12 ' A' ' 26' ' ' LEU . 6.7 mp . . . . . 0 C--O 1.237 0.415 0 CA-C-O 120.913 0.387 . . . . 1.6000000000000001 110.873 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.0 m -81.69 85.26 6.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.032 0.444 . . . . 2.0800000000000001 110.523 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.47 -118.07 1.29 Allowed Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.648 -0.787 . . . . 1.8400000000000001 111.93 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -104.93 150.82 24.57 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.596 -0.52 . . . . 2.77 109.596 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -169.66 -24.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.701 0.286 . . . . 0.92000000000000004 111.123 -174.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.826 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 91.7 mt -56.85 -22.45 36.94 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.047 0.388 . . . . 0.78000000000000003 112.047 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -92.43 -13.39 30.09 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.247 0.546 . . . . 2.29 110.442 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.8 mt -86.12 127.45 34.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.748 -0.66 . . . . 1.23 109.999 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.9 mtt85 -67.6 152.3 45.87 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.358 -0.383 . . . . 2.8799999999999999 110.101 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -54.07 -32.89 56.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.417 -0.356 . . . . 0.58999999999999997 111.147 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.35 -31.12 68.91 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.038 -0.528 . . . . 2.6000000000000001 111.479 175.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -86.28 -33.74 20.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.337 -0.392 . . . . 2.0299999999999998 111.187 -174.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.468 HG13 ' HD1' ' A' ' 40' ' ' TYR . 28.9 pt -88.46 13.94 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.953 0.406 . . . . 0.67000000000000004 111.577 -177.366 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.56 38.12 61.83 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.734 -0.666 . . . . 0.62 114.275 171.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.468 ' OH ' ' HB3' ' A' ' 14' ' ' LEU . 34.9 m-85 -106.6 119.65 39.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.496 0.648 . . . . 0.70999999999999996 110.941 175.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -77.85 -62.48 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.836 -1.074 . . . . 1.9299999999999999 111.64 -173.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.5 p 174.1 -49.49 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.743 -0.836 . . . . 0.91000000000000003 108.743 -173.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.49 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -64.78 -46.39 82.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.128 -0.942 . . . . 1.3200000000000001 109.295 178.319 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.66 -26.02 68.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.46999999999999997 110.68 177.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.2 tp -75.37 -46.16 34.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.985 -0.552 . . . . 0.75 110.694 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.0 ptm -68.44 -31.64 71.1 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.64 -0.255 . . . . 1.26 111.333 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 11.2 mm-40 -64.25 -38.61 91.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.077 0.465 . . . . 2.2000000000000002 110.449 176.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.3 m -63.35 -33.9 76.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.737 -0.665 . . . . 0.54000000000000004 111.27 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.73 -44.81 77.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.46000000000000002 111.488 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.18 -32.54 72.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.055 -0.521 . . . . 0.48999999999999999 110.79 -176.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.478 ' HD2' ' OE1' ' A' ' 16' ' ' GLU . 10.9 mmt180 -66.92 -33.47 75.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.422 -0.808 . . . . 2.8599999999999999 110.854 -178.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.6 mt -83.48 -48.06 10.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.149 -0.478 . . . . 0.56000000000000005 110.619 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.543 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 50.3 mt-10 -58.76 -52.16 66.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.774 -0.648 . . . . 0.51000000000000001 111.374 -176.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.9 t -67.42 -21.64 65.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.291 -0.413 . . . . 1.4199999999999999 111.321 -176.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -82.89 -48.22 10.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.539 -0.301 . . . . 2.4199999999999999 111.265 -176.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -99.07 2.93 46.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.494 -0.321 . . . . 1.0800000000000001 111.494 -174.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.13 34.0 69.77 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.882 -0.675 . . . . 0.57999999999999996 112.401 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.543 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 28.2 m -110.67 -170.57 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.853 0.358 . . . . 0.45000000000000001 111.202 -177.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.456 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 19.4 p -157.78 133.88 9.42 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.011 -0.737 . . . . 1.6200000000000001 109.011 174.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.433 HG22 ' HB2' ' A' ' 65' ' ' ALA . 56.1 mt -95.9 117.37 66.41 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 116.398 -0.365 . . . . 0.59999999999999998 110.863 -175.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 23.8 Cg_exo -64.48 134.77 42.9 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.629 2.219 . . . . 0.81000000000000005 111.754 178.019 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -62.24 -22.48 66.01 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.081 -0.509 . . . . 1.99 112.263 -174.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -78.01 -50.84 11.33 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.192 0.52 . . . . 2.4399999999999999 110.251 175.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.5 t -70.75 -27.07 29.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.64 -0.709 . . . . 1.1399999999999999 110.852 -174.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.433 ' HB2' HG22 ' A' ' 60' ' ' ILE . . . -61.87 -34.4 75.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.124 0.488 . . . . 0.68000000000000005 111.331 177.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.86 10.49 74.75 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.816 -0.707 . . . . 0.77000000000000002 112.62 -177.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -91.94 -25.4 18.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.722 0.296 . . . . 3.6299999999999999 110.656 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.502 HG21 HD23 ' A' ' 74' ' ' LEU . 34.2 m -95.53 156.85 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.846 0.355 . . . . 0.94999999999999996 111.757 -177.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -135.38 -12.1 2.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.925 -0.58 . . . . 1.75 110.432 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.425 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 21.1 p -125.66 140.5 36.67 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.152 -0.476 . . . . 0.5 110.872 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.495 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 80.2 Cg_exo -51.59 -44.21 45.58 Favored 'Trans proline' 0 N--CA 1.476 0.453 0 C-N-CA 123.948 3.098 . . . . 0.38 114.299 -176.385 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.826 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 44.8 ttm105 -52.94 -45.99 67.93 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.855 0.359 . . . . 3.5600000000000001 111.723 -176.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.56 -38.66 87.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.893 -0.594 . . . . 2.4300000000000002 110.269 -176.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.502 HD23 HG21 ' A' ' 68' ' ' VAL . 2.9 tm? -65.15 -45.15 86.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.841 -0.618 . . . . 1.22 109.988 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.539 ' HG ' ' HG ' ' A' ' 5' ' ' LEU . 5.5 tt -58.75 -49.75 76.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.71 -0.677 . . . . 1.1200000000000001 110.518 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.53 -34.26 77.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.068 -0.515 . . . . 1.4299999999999999 110.889 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.9 tp -60.19 -53.4 58.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.728 -0.669 . . . . 1.6599999999999999 111.519 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.2 mt -64.38 -37.57 80.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.921 0.391 . . . . 0.40999999999999998 110.989 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -66.16 -26.14 67.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 1.6699999999999999 111.234 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -58.66 -38.88 92.63 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.527 -0.844 . . . . 0.54000000000000004 111.846 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.05 -27.77 61.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.72999999999999998 111.151 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.6 mt -81.64 -36.78 28.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.292 -0.413 . . . . 0.87 110.884 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 1.05 111.68 -176.942 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.4 mt . . . . . 0 C--O 1.236 0.354 0 N-CA-C 109.708 -0.479 . . . . 0.88 109.708 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.71 HD21 ' HB2' ' A' ' 10' ' ' LEU . 5.4 tt -82.85 121.36 26.84 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.046 -0.724 . . . . 1.0 109.046 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 50.5 p -111.5 167.91 9.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.307 -0.406 . . . . 1.21 110.463 -178.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 p -59.65 -34.27 72.61 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.083 -0.247 . . . . 1.3 111.28 175.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -72.09 -44.09 63.79 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 121.16 -0.216 . . . . 2.1899999999999999 110.646 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.86 -49.72 76.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.388 -0.369 . . . . 1.1200000000000001 110.677 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.71 ' HB2' HD21 ' A' ' 5' ' ' LEU . 50.0 tp -60.75 -46.06 91.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.955 -0.566 . . . . 1.0800000000000001 110.204 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.469 ' O ' HG23 ' A' ' 15' ' ' VAL . 46.0 ttp180 -54.0 -48.58 70.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.858 -0.61 . . . . 2.1699999999999999 110.89 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -68.51 -37.03 79.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.33 -0.396 . . . . 3.6600000000000001 110.939 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.26 -41.54 89.05 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.317 -0.401 . . . . 0.48999999999999999 111.183 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.438 ' HG ' HG21 ' A' ' 48' ' ' THR . 2.5 mt -67.86 -36.11 79.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.855 -0.611 . . . . 0.79000000000000004 111.024 178.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 11' ' ' ARG . 61.3 t -72.68 -37.0 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.70999999999999996 110.789 178.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.27 -33.35 73.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 1.49 110.669 176.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 m -82.8 -54.46 5.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.848 -0.614 . . . . 1.25 110.664 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.534 0 CA-C-N 115.896 -0.593 . . . . 1.6799999999999999 110.367 -179.906 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.243 -0.651 . . . . 1.6000000000000001 109.243 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.4 p -54.11 -67.04 0.29 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.299 -0.864 . . . . 2.0800000000000001 112.691 -173.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.99 -108.26 1.45 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.516 -0.85 . . . . 1.8400000000000001 112.683 -177.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -106.37 148.54 27.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.236 0.541 . . . . 2.77 111.079 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.419 ' HA ' HD23 ' A' ' 33' ' ' LEU . 39.2 p90 -145.96 -4.67 0.63 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.356 -0.838 . . . . 0.92000000000000004 110.281 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.637 ' O ' ' HB ' ' A' ' 70' ' ' THR . 37.0 mt -59.28 -24.22 63.06 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.454 0.538 . . . . 0.78000000000000003 112.454 -174.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -92.53 -16.0 26.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.087 0.47 . . . . 2.29 111.346 -175.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 30' ' ' PHE . 3.5 mm? -88.45 134.69 33.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 1.23 110.894 -177.3 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -71.54 143.33 49.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.529 -0.305 . . . . 2.8799999999999999 110.703 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -53.69 -39.44 65.14 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.29 -0.414 . . . . 0.58999999999999997 111.258 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -56.47 -33.13 65.65 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.759 -0.655 . . . . 2.6000000000000001 111.477 -178.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.99 -34.66 19.18 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.341 0.497 . . . . 2.0299999999999998 112.341 -174.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.469 HG13 ' HD2' ' A' ' 40' ' ' TYR . 14.9 pt -87.25 24.54 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.705 0.631 . . . . 0.67000000000000004 112.705 -173.209 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.28 35.88 83.58 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.784 -0.644 . . . . 0.62 114.198 170.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.469 ' HD2' HG13 ' A' ' 38' ' ' ILE . 53.4 m-85 -111.8 110.18 20.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.308 0.575 . . . . 0.70999999999999996 110.859 174.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -78.35 169.31 18.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.072 -0.967 . . . . 1.9299999999999999 110.069 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -53.26 44.05 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 112.54 0.57 . . . . 0.91000000000000003 112.54 -175.057 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' A' ' 46' ' ' MET . 38.7 tp -61.95 -46.12 90.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.466 -0.334 . . . . 1.3200000000000001 110.556 -178.305 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.61 -36.35 80.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.38 -0.373 . . . . 0.46999999999999997 111.075 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.9 tp -67.43 -45.37 76.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.183 -0.462 . . . . 0.75 110.915 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.448 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 4.8 ppp? -75.43 -27.62 59.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.636 0.255 . . . . 1.26 110.858 -178.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -62.17 -41.56 98.44 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.162 0.506 . . . . 2.2000000000000002 110.042 172.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.438 HG21 ' HG ' ' A' ' 14' ' ' LEU . 39.9 m -60.54 -41.85 95.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.596 -0.729 . . . . 0.54000000000000004 110.32 177.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.477 ' HB1' HD12 ' A' ' 60' ' ' ILE . . . -56.58 -42.33 78.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.972 -0.558 . . . . 0.46000000000000002 110.997 177.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.11 -38.46 91.25 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.141 -0.481 . . . . 0.48999999999999999 110.382 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -61.55 -36.42 80.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.698 -0.683 . . . . 2.8599999999999999 110.516 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.8 mt -72.12 -51.02 23.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.99 -0.55 . . . . 0.56000000000000005 110.815 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.582 ' OE2' ' HA ' ' A' ' 59' ' ' SER . 43.0 mt-10 -58.56 -42.61 88.34 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.286 -0.416 . . . . 0.51000000000000001 110.605 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.5 t -65.49 -21.49 66.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.177 -0.465 . . . . 1.4199999999999999 112.038 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -91.11 -47.43 7.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.681 0.277 . . . . 2.4199999999999999 111.376 -176.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.489 ' OH ' ' HA ' ' A' ' 5' ' ' LEU . 75.6 m-85 -95.34 -20.2 19.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.547 -0.297 . . . . 1.0800000000000001 111.733 -173.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.6 32.79 26.63 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.718 -0.754 . . . . 0.57999999999999996 111.812 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 31.0 m -101.54 -173.7 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.798 0.333 . . . . 0.45000000000000001 111.334 -176.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.582 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 8.5 p -148.51 124.93 10.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.645 -0.707 . . . . 1.6200000000000001 109.917 176.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.477 HD12 ' HB1' ' A' ' 49' ' ' ALA . 49.6 mt -94.33 120.73 64.93 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.661 -0.245 . . . . 0.59999999999999998 110.702 -177.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 43.8 Cg_exo -58.56 139.76 91.99 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.195 2.597 . . . . 0.81000000000000005 113.123 -178.051 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -56.53 -40.55 75.28 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.685 -0.689 . . . . 1.99 111.66 -177.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -79.55 -47.19 15.95 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.385 -0.825 . . . . 2.4399999999999999 111.921 -171.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.8 t -73.34 -28.34 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.841 0.353 . . . . 1.1399999999999999 111.205 -175.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.47 ' HB2' HG22 ' A' ' 60' ' ' ILE . . . -58.82 -42.39 89.08 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.41 0.522 . . . . 0.68000000000000005 112.41 -175.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.75 9.82 74.99 Favored Glycine 0 C--N 1.319 -0.365 0 C-N-CA 120.789 -0.719 . . . . 0.77000000000000002 113.085 -175.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -106.28 1.32 25.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.677 0.275 . . . . 3.6299999999999999 111.55 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.3 m -94.15 175.36 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.694 -0.23 . . . . 0.94999999999999996 111.007 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -142.7 -42.5 0.32 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.004 0.431 . . . . 1.75 111.777 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.637 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 61.2 p -104.82 143.82 27.49 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.06 -0.518 . . . . 0.5 111.196 -175.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.503 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 74.9 Cg_exo -52.97 -30.88 50.51 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.289 2.659 . . . . 0.38 112.818 176.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.555 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -56.2 -46.49 79.42 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.426 -0.352 . . . . 3.5600000000000001 110.168 178.506 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -64.31 -41.94 96.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.03 -0.532 . . . . 2.4300000000000002 110.943 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 74' ' ' LEU . 0.4 OUTLIER -61.18 -48.14 82.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.269 0.557 . . . . 1.22 109.626 179.651 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.508 ' HG ' HD22 ' A' ' 5' ' ' LEU . 10.3 tt -58.64 -48.3 81.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.402 -0.817 . . . . 1.1200000000000001 110.525 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -65.19 -37.9 88.79 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.687 -0.688 . . . . 1.4299999999999999 111.577 -177.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.32 -52.03 66.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.739 0.304 . . . . 1.6599999999999999 111.316 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.2 mt -68.21 -36.06 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.859 0.362 . . . . 0.40999999999999998 110.503 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -64.61 -40.5 95.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.458 . . . . 1.6699999999999999 110.948 177.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.94 -39.35 97.43 Favored Glycine 0 CA--C 1.516 0.124 0 C-N-CA 121.146 -0.55 . . . . 0.54000000000000004 112.78 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.89 -26.6 63.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.903 0.382 . . . . 0.72999999999999998 111.239 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.5 mt -86.13 -29.28 23.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.272 -0.422 . . . . 0.87 111.021 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.203 -0.453 . . . . 1.05 111.607 -176.679 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.9 mt . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.396 -0.594 . . . . 0.88 109.396 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.597 ' HA ' ' CZ ' ' A' ' 56' ' ' TYR . 6.1 tt -79.71 123.22 27.47 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.186 -0.672 . . . . 1.0 109.186 -177.412 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.41 148.32 22.9 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.924 -0.58 . . . . 1.21 111.452 -177.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.9 p -58.29 -36.95 74.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.599 -0.728 . . . . 1.3 110.783 177.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.33 -46.7 88.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.453 -0.794 . . . . 2.1899999999999999 110.718 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.08 -44.8 87.72 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.195 -0.457 . . . . 1.1200000000000001 110.983 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.411 ' O ' HD23 ' A' ' 14' ' ' LEU . 37.8 tp -59.63 -42.66 93.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 1.0800000000000001 110.345 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -54.04 -41.59 68.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.032 -0.531 . . . . 2.1699999999999999 110.233 176.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -72.98 -40.32 65.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.074 -0.512 . . . . 3.6600000000000001 111.296 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.66 -38.43 78.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.48999999999999999 111.604 -173.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.664 HD13 HG21 ' A' ' 48' ' ' THR . 4.6 mm? -62.58 -48.21 80.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.853 0.359 . . . . 0.79000000000000004 110.277 177.197 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.7 t -67.57 -42.83 87.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.70999999999999996 110.79 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.51 -36.98 74.66 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.191 -0.459 . . . . 1.49 111.337 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.542 ' OG ' ' HA ' ' A' ' 48' ' ' THR . 16.3 m -80.3 -33.76 37.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.443 -0.344 . . . . 1.25 111.103 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 120.967 0.413 . . . . 1.6799999999999999 110.578 177.952 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.3 mp . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 109.278 -0.638 . . . . 1.6000000000000001 109.278 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.8 m -71.31 92.82 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.333 -0.849 . . . . 2.0800000000000001 111.719 -174.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.6 -72.44 2.68 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.096 -0.573 . . . . 1.8400000000000001 112.122 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -103.79 156.19 18.01 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.318 -0.253 . . . . 2.77 110.318 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -178.8 -25.13 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.07 -0.514 . . . . 0.92000000000000004 110.473 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.728 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 87.2 mt -54.47 -23.64 17.03 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.831 -0.622 . . . . 0.78000000000000003 112.116 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -89.81 -18.06 26.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.855 -0.612 . . . . 2.29 111.155 -170.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.9 mt -89.99 152.89 20.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.383 -0.371 . . . . 1.23 110.619 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -69.59 152.41 44.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.602 0.239 . . . . 2.8799999999999999 110.702 175.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -57.55 -41.78 81.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.899 0.381 . . . . 0.58999999999999997 110.557 173.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -60.74 -23.19 64.76 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.964 -0.562 . . . . 2.6000000000000001 111.4 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -85.89 -33.25 21.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.094 0.473 . . . . 2.0299999999999998 109.994 -173.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.483 HG13 ' HD1' ' A' ' 40' ' ' TYR . 13.0 pt -90.31 14.71 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.922 -0.581 . . . . 0.67000000000000004 111.833 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.46 25.72 56.17 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 114.58 0.592 . . . . 0.62 114.58 171.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.483 ' HD1' HG13 ' A' ' 38' ' ' ILE . 85.8 m-85 -111.69 118.84 36.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.586 0.693 . . . . 0.70999999999999996 110.879 178.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -94.95 -172.49 2.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.535 -0.757 . . . . 1.9299999999999999 110.811 -175.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 80.5 p -51.17 -61.18 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 123.406 0.682 . . . . 0.91000000000000003 112.527 -173.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.425 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 57.6 tp -59.54 -51.62 69.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.789 -0.641 . . . . 1.3200000000000001 111.618 -175.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.19 -29.76 70.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.46999999999999997 111.324 -175.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.2 tp -62.26 -51.24 68.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.172 -0.467 . . . . 0.75 111.11 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.4 ptm -70.03 -31.76 69.57 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.932 -0.307 . . . . 1.26 110.989 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 50.7 mt-10 -64.92 -39.5 93.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.89 0.376 . . . . 2.2000000000000002 110.044 178.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.664 HG21 HD13 ' A' ' 14' ' ' LEU . 32.9 m -62.16 -42.6 99.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.808 -0.633 . . . . 0.54000000000000004 110.895 176.622 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.33 -39.13 72.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.032 -0.531 . . . . 0.46000000000000002 111.909 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.47 -30.39 71.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.186 0.517 . . . . 0.48999999999999999 110.967 -177.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.763 ' HE ' ' HA ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -66.79 -36.19 81.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.81 -0.632 . . . . 2.8599999999999999 110.718 -179.248 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.467 HD22 HD11 ' A' ' 5' ' ' LEU . 86.3 mt -69.79 -44.11 70.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.737 -0.665 . . . . 0.56000000000000005 110.279 179.074 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.538 ' HA ' HG22 ' A' ' 58' ' ' VAL . 51.5 mt-10 -58.58 -49.15 78.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.856 -0.611 . . . . 0.51000000000000001 111.121 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.4 m -62.31 -35.72 79.91 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.404 -0.362 . . . . 1.4199999999999999 111.633 -176.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -75.58 -44.61 42.28 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.268 -0.424 . . . . 2.4199999999999999 111.663 -173.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.597 ' CZ ' ' HA ' ' A' ' 5' ' ' LEU . 93.3 m-85 -98.5 -8.98 25.71 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.043 0.386 . . . . 1.0800000000000001 112.043 -175.306 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.65 42.98 45.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.674 -0.774 . . . . 0.57999999999999996 112.074 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.538 HG22 ' HA ' ' A' ' 53' ' ' GLU . 28.9 m -112.36 -174.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.739 0.304 . . . . 0.45000000000000001 110.883 -178.298 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.7 m -143.62 117.8 9.54 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.416 -0.587 . . . . 1.6200000000000001 109.416 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 69.1 mt -91.96 111.94 52.35 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.939 0.4 . . . . 0.59999999999999998 110.854 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 17.5 Cg_exo -66.53 125.81 14.48 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.784 2.323 . . . . 0.81000000000000005 111.671 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -65.2 -7.39 12.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.401 . . . . 1.99 111.403 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -74.98 -55.62 5.58 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.645 -0.502 . . . . 2.4399999999999999 109.645 172.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.494 HG11 HD13 ' A' ' 77' ' ' LEU . 4.0 t -76.71 -20.47 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.869 -0.605 . . . . 1.1399999999999999 110.766 -177.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.84 -28.57 68.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.9 -0.591 . . . . 0.68000000000000005 110.798 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -97.41 12.79 64.86 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.658 -0.782 . . . . 0.77000000000000002 112.002 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.459 ' HD3' ' HA ' ' A' ' 64' ' ' VAL . 79.8 mtp180 -107.67 -6.29 16.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.969 0.414 . . . . 3.6299999999999999 110.776 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.3 m -99.43 167.61 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.289 -0.414 . . . . 0.94999999999999996 110.935 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -147.87 -37.08 0.2 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.341 0.591 . . . . 1.75 109.454 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.5 p -112.4 148.34 38.97 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.834 -0.621 . . . . 0.5 110.809 177.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.728 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 53.2 Cg_exo -55.53 -29.11 68.03 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.118 2.546 . . . . 0.38 112.001 176.453 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.402 ' NH2' ' HB2' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -53.08 -47.78 68.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.802 -0.635 . . . . 3.5600000000000001 110.164 175.877 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -68.67 -45.1 72.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.78 -0.645 . . . . 2.4300000000000002 110.951 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 74' ' ' LEU . 1.9 tm? -57.26 -45.12 84.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.878 -0.601 . . . . 1.22 110.113 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.8 tp -57.12 -45.81 83.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.458 -0.792 . . . . 1.1200000000000001 110.968 177.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.402 ' HB2' ' NH2' ' A' ' 72' ' ' ARG . 7.9 t70 -69.62 -27.04 64.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.249 0.547 . . . . 1.4299999999999999 110.907 -175.152 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.494 HD13 HG11 ' A' ' 64' ' ' VAL . 61.7 tp -65.16 -59.4 4.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.798 -0.637 . . . . 1.6599999999999999 110.895 177.155 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 50.6 mt -67.87 -45.22 84.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.095 -0.502 . . . . 0.40999999999999998 110.913 -175.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -61.87 -36.7 82.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.597 -0.274 . . . . 1.6699999999999999 110.974 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.42 -35.92 91.75 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 121.107 -0.568 . . . . 0.54000000000000004 112.419 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.31 -45.38 55.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.772 0.32 . . . . 0.72999999999999998 110.858 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.1 mt -68.43 -28.58 67.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.87 111.744 -176.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.408 0 N-CA-C 112.197 0.444 . . . . 1.05 112.197 -177.98 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 45.0 mt . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.987 0.422 . . . . 0.88 111.227 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.482 HD11 HD22 ' A' ' 52' ' ' LEU . 1.6 tt -81.13 122.94 27.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.661 -0.699 . . . . 1.0 109.512 -177.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.447 ' H ' ' HB2' ' A' ' 9' ' ' ASP . 41.6 p -104.39 171.06 7.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.691 0.282 . . . . 1.21 111.063 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p -62.41 -36.16 81.48 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.825 -0.17 . . . . 1.3 111.34 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -71.38 -37.33 71.61 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.067 0.461 . . . . 2.1899999999999999 110.243 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.447 ' HB2' ' H ' ' A' ' 6' ' ' THR . 1.6 m-20 -58.5 -45.47 88.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.638 -0.71 . . . . 1.1200000000000001 110.172 174.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.5 tp -68.61 -39.54 80.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.528 -0.76 . . . . 1.0800000000000001 110.081 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.0 ttp85 -53.41 -51.51 62.36 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.205 -0.452 . . . . 2.1699999999999999 110.614 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.477 ' HB3' ' OE1' ' A' ' 16' ' ' GLU . 17.3 mtp180 -61.83 -41.78 98.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.869 -0.605 . . . . 3.6600000000000001 111.344 178.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.19 -38.05 85.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.48999999999999999 112.08 -173.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.481 HD13 HG21 ' A' ' 48' ' ' THR . 4.5 mm? -72.86 -49.27 31.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.662 -0.245 . . . . 0.79000000000000004 111.009 178.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.02 -52.09 63.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 120.813 0.34 . . . . 0.70999999999999996 111.651 -176.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.477 ' OE1' ' HB3' ' A' ' 12' ' ' ARG . 44.6 mt-10 -68.17 -23.32 64.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.335 -0.393 . . . . 1.49 111.994 -177.14 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -83.56 -29.51 27.77 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.957 -0.297 . . . . 1.25 110.528 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.358 . . . . 1.6799999999999999 110.86 179.923 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.513 -0.551 . . . . 1.6000000000000001 109.513 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 t -95.31 -25.92 16.13 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.729 -0.669 . . . . 2.0800000000000001 109.923 -177.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.02 -166.43 28.37 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.626 -0.797 . . . . 1.8400000000000001 112.112 175.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -78.66 87.14 4.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.178 0.513 . . . . 2.77 109.898 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -92.55 2.36 56.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.287 -0.415 . . . . 0.92000000000000004 111.883 -173.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.847 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 23.8 mt -56.4 -23.97 41.66 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.878 0.695 . . . . 0.78000000000000003 112.878 -177.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -93.0 -11.35 33.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.936 0.398 . . . . 2.29 111.467 -177.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.8 mt -87.33 113.01 22.67 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.049 -0.523 . . . . 1.23 110.213 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.501 ' HD2' ' OD2' ' A' ' 69' ' ' ASP . 23.1 mtm180 -67.65 147.92 52.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.405 -0.361 . . . . 2.8799999999999999 110.673 -175.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -53.07 -43.31 66.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.58999999999999997 110.772 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -54.26 -37.52 64.77 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.768 -0.651 . . . . 2.6000000000000001 112.08 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -85.0 -27.7 26.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.644 -0.253 . . . . 2.0299999999999998 111.106 -173.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.484 HG12 ' O ' ' A' ' 34' ' ' ARG . 17.3 pt -93.97 18.64 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.884 0.373 . . . . 0.67000000000000004 111.849 -178.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.64 -0.28 89.48 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 121.132 -0.556 . . . . 0.62 113.848 171.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.469 ' HD2' HG13 ' A' ' 38' ' ' ILE . 56.8 m-85 -89.35 98.71 11.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.441 -0.447 . . . . 0.70999999999999996 110.839 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -83.78 178.65 7.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.496 -0.774 . . . . 1.9299999999999999 110.093 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.7 p -51.16 -45.52 61.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.611 -0.722 . . . . 0.91000000000000003 111.841 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.596 ' O ' ' HG3' ' A' ' 46' ' ' MET . 51.1 tp -66.73 -48.5 68.97 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 116.499 -0.319 . . . . 1.3200000000000001 110.694 -177.562 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.27 77.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.332 0.587 . . . . 0.46999999999999997 110.702 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.8 tp -68.9 -46.9 67.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.892 -0.594 . . . . 0.75 111.118 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.596 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 4.4 ppp? -66.24 -31.69 72.65 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.628 -0.26 . . . . 1.26 110.918 -177.544 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -62.23 -46.36 89.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.621 0.724 . . . . 2.2000000000000002 110.032 174.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.481 HG21 HD13 ' A' ' 14' ' ' LEU . 22.6 m -66.07 -19.7 65.93 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.133 -0.939 . . . . 0.54000000000000004 112.038 -178.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.42 -41.54 80.59 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.067 0.461 . . . . 0.46000000000000002 111.344 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.49 -29.92 70.28 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.637 -0.711 . . . . 0.48999999999999999 110.817 -177.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.594 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 39.4 mmt180 -62.4 -39.23 92.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.201 -0.908 . . . . 2.8599999999999999 110.844 -176.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.482 HD22 HD11 ' A' ' 5' ' ' LEU . 76.8 mt -83.24 -46.26 12.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.068 -0.515 . . . . 0.56000000000000005 111.305 -176.14 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.469 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 55.4 mt-10 -57.41 -53.3 59.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.337 -0.392 . . . . 0.51000000000000001 111.622 -177.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.5 t -64.53 -35.48 81.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.778 0.323 . . . . 1.4199999999999999 111.146 -178.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.594 ' HB2' ' O ' ' A' ' 51' ' ' ARG . 50.6 ttt180 -64.05 -51.53 63.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 2.4199999999999999 111.431 -173.314 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.467 ' CZ ' ' HG ' ' A' ' 5' ' ' LEU . 58.5 m-85 -98.18 -14.94 20.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.532 -0.304 . . . . 1.0800000000000001 111.641 -174.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.65 34.82 10.99 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.81 -0.71 . . . . 0.57999999999999996 111.927 -178.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.469 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 32.9 m -106.5 -169.42 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.672 0.272 . . . . 0.45000000000000001 110.7 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.8 t -157.35 135.71 11.22 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.124 -0.695 . . . . 1.6200000000000001 109.124 172.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 43.7 mt -96.34 122.26 58.12 Favored Pre-proline 0 C--N 1.317 -0.817 0 CA-C-N 116.361 -0.382 . . . . 0.59999999999999998 110.358 -177.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.434 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 76.7 Cg_exo -51.55 133.08 42.84 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.868 2.379 . . . . 0.81000000000000005 112.036 178.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.15 -50.27 69.72 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.834 -0.621 . . . . 1.99 111.859 -171.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -79.01 -38.08 37.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.212 -0.449 . . . . 2.4399999999999999 111.427 -174.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.434 ' HB ' ' HB2' ' A' ' 61' ' ' PRO . 42.7 t -72.36 -22.87 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.081 0.467 . . . . 1.1399999999999999 111.099 -176.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.27 -29.47 69.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.137 -0.483 . . . . 0.68000000000000005 111.479 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -105.01 21.68 35.29 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 121.054 -0.593 . . . . 0.77000000000000002 112.049 -177.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.597 ' HA ' ' HE ' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -99.95 -12.73 19.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.095 0.474 . . . . 3.6299999999999999 111.003 -179.513 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.569 HG21 HD23 ' A' ' 74' ' ' LEU . 35.2 m -89.7 172.88 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.387 -0.369 . . . . 0.94999999999999996 111.214 -176.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.501 ' OD2' ' HD2' ' A' ' 34' ' ' ARG . 19.2 t70 -143.84 -45.32 0.27 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.958 -0.565 . . . . 1.75 110.322 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.9 p -104.12 150.49 38.39 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.021 -0.536 . . . . 0.5 111.399 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.473 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 50.8 Cg_exo -56.05 -33.89 90.98 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.183 2.588 . . . . 0.38 112.748 178.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.847 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 45.4 ttm180 -56.36 -46.79 79.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.341 -0.39 . . . . 3.5600000000000001 110.776 177.112 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -65.04 -41.87 94.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.094 -0.503 . . . . 2.4300000000000002 110.541 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.569 HD23 HG21 ' A' ' 68' ' ' VAL . 2.5 tm? -60.22 -50.52 73.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.832 -0.622 . . . . 1.22 109.96 178.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 46.3 tp -59.52 -53.09 62.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.96 -0.564 . . . . 1.1200000000000001 110.919 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -62.19 -34.82 77.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 1.4299999999999999 111.359 -174.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -63.7 -54.42 35.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.813 0.34 . . . . 1.6599999999999999 110.249 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 66.1 mt -67.68 -39.26 81.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.038 0.447 . . . . 0.40999999999999998 110.845 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -63.13 -43.6 97.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.103 -0.499 . . . . 1.6699999999999999 110.018 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.4 -32.79 80.2 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.654 -0.703 . . . . 0.54000000000000004 112.492 178.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.28 -38.37 84.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.956 0.408 . . . . 0.72999999999999998 110.031 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.417 HD21 ' CG1' ' A' ' 58' ' ' VAL . 91.1 mt -70.63 -34.26 71.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.487 -0.778 . . . . 0.87 110.6 178.036 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.015 -0.539 . . . . 1.05 111.57 -179.524 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 CA--C 1.518 -0.286 0 CA-C-O 120.855 0.36 . . . . 0.88 110.774 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.615 ' HG ' ' HG ' ' A' ' 75' ' ' LEU . 15.5 tp -83.93 121.04 26.83 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.631 -0.877 . . . . 1.0 108.631 173.186 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.463 ' H ' ' HB2' ' A' ' 9' ' ' ASP . 73.2 p -114.49 -179.41 3.62 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.471 -0.492 . . . . 1.21 111.361 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.584 HG22 HD11 ' A' ' 31' ' ' LEU . 2.9 p -56.82 -57.01 14.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.533 -0.758 . . . . 1.3 111.267 177.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.464 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 20.3 m-20 -66.32 -27.14 67.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.926 -0.579 . . . . 2.1899999999999999 111.631 -177.582 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.463 ' HB2' ' H ' ' A' ' 6' ' ' THR . 22.6 m-20 -64.61 -53.22 51.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.774 0.321 . . . . 1.1200000000000001 110.569 174.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.6 tp -61.26 -39.18 89.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.65 0.738 . . . . 1.0800000000000001 109.338 176.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.496 HH21 ' HA ' ' A' ' 27' ' ' SER . 68.5 ttt180 -53.33 -34.71 58.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.567 -1.197 . . . . 2.1699999999999999 110.969 175.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.804 ' HA ' ' HE ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -82.01 -42.86 18.75 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.543 -0.299 . . . . 3.6600000000000001 111.597 177.019 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.66 91.44 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.6 0.593 . . . . 0.48999999999999999 112.6 -171.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.454 HD12 ' CE1' ' A' ' 40' ' ' TYR . 4.2 mm? -63.07 -38.39 91.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.979 0.418 . . . . 0.79000000000000004 110.266 177.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.2 t -68.59 -35.57 70.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.885 -0.598 . . . . 0.70999999999999996 110.74 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.455 ' CD ' HH21 ' A' ' 51' ' ' ARG . 48.0 mt-10 -57.64 -43.02 84.55 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.998 0.428 . . . . 1.49 110.813 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.9 m -82.32 -30.18 30.63 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.917 -0.583 . . . . 1.25 111.548 -176.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.384 0 N-CA-C 111.85 0.315 . . . . 1.6799999999999999 111.85 -175.908 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 N--CA 1.446 -0.645 0 N-CA-C 108.839 -0.8 . . . . 1.6000000000000001 108.839 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.496 ' HA ' HH21 ' A' ' 11' ' ' ARG . 7.7 t -124.72 -48.06 1.8 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.51 -0.768 . . . . 2.0800000000000001 110.24 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.78 -141.45 5.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 1.8400000000000001 112.633 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -84.15 87.08 7.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.543 0.687 . . . . 2.77 111.038 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -92.34 -24.87 18.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.583 -0.735 . . . . 0.92000000000000004 111.616 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.584 HD11 HG22 ' A' ' 7' ' ' THR . 62.5 mt -56.75 -28.19 60.72 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.529 0.566 . . . . 0.78000000000000003 112.529 -178.209 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -94.13 -5.62 46.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.104 0.478 . . . . 2.29 110.691 -174.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.5 mt -91.22 127.87 36.82 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.815 -0.439 . . . . 1.23 109.815 177.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.478 HH11 ' HD2' ' A' ' 34' ' ' ARG . 34.7 mtm105 -69.95 153.86 42.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.801 -0.181 . . . . 2.8799999999999999 110.836 -174.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -54.28 -52.26 61.99 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.391 0.515 . . . . 0.58999999999999997 112.391 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -62.7 -21.29 65.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.001 0.429 . . . . 2.6000000000000001 111.216 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.418 ' HB3' ' O ' ' A' ' 34' ' ' ARG . 9.6 t70 -82.19 -34.68 28.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.058 -0.519 . . . . 2.0299999999999998 110.337 -176.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.448 HG13 ' HD2' ' A' ' 40' ' ' TYR . 7.3 pt -89.07 5.97 4.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.273 -0.422 . . . . 0.67000000000000004 111.312 177.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.17 44.98 42.38 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.953 -0.567 . . . . 0.62 113.426 174.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.454 ' CE1' HD12 ' A' ' 14' ' ' LEU . 24.6 m-85 -111.43 120.45 42.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.124 0.462 . . . . 0.70999999999999996 110.968 175.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -76.42 162.86 27.5 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.426 -0.806 . . . . 1.9299999999999999 111.094 -177.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.4 p -50.98 -50.57 58.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.466 -0.788 . . . . 0.91000000000000003 110.621 174.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.46 ' O ' ' HG2' ' A' ' 46' ' ' MET . 56.3 tp -54.37 -53.38 54.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.003 -0.998 . . . . 1.3200000000000001 111.175 179.222 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.26 -35.91 81.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.341 -0.39 . . . . 0.46999999999999997 111.283 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.2 tp -69.01 -39.65 79.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.059 -0.519 . . . . 0.75 110.836 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.46 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 11.5 ptt? -69.81 -34.84 74.24 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.795 0.331 . . . . 1.26 110.295 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 5.6 mm-40 -64.06 -40.93 97.36 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.913 0.387 . . . . 2.2000000000000002 110.032 176.18 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.1 m -61.81 -43.69 98.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.671 -0.695 . . . . 0.54000000000000004 110.599 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.588 ' HB1' HD12 ' A' ' 60' ' ' ILE . . . -56.88 -43.71 81.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.97 -0.559 . . . . 0.46000000000000002 111.062 177.282 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.99 -36.12 80.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.988 -0.551 . . . . 0.48999999999999999 110.43 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 13.6 mmm180 -59.09 -46.78 87.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.573 -0.739 . . . . 2.8599999999999999 109.73 176.325 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.0 mt -65.1 -46.07 82.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.827 -0.624 . . . . 0.56000000000000005 111.231 -178.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.52 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 51.8 mt-10 -55.28 -60.44 3.4 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.23 -0.441 . . . . 0.51000000000000001 111.627 -177.195 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.7 t -68.13 -21.79 64.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.404 -0.362 . . . . 1.4199999999999999 111.638 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -77.67 -47.13 19.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.977 0.418 . . . . 2.4199999999999999 111.234 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -94.97 -15.32 23.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.274 -0.421 . . . . 1.0800000000000001 111.405 -175.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.44 47.51 5.4 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.613 -0.803 . . . . 0.57999999999999996 111.512 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.52 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 31.8 m -128.58 -169.24 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.496 -0.352 . . . . 0.45000000000000001 110.677 -177.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.9 t -158.93 135.61 9.44 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.137 -0.69 . . . . 1.6200000000000001 109.137 173.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.588 HD12 ' HB1' ' A' ' 49' ' ' ALA . 50.6 mt -96.14 124.47 51.59 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 116.32 -0.4 . . . . 0.59999999999999998 110.127 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 24.2 Cg_exo -63.36 145.35 92.61 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.873 2.382 . . . . 0.81000000000000005 112.417 -177.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.53 -40.32 78.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.31 -0.859 . . . . 1.99 111.739 -175.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -84.36 -45.26 12.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.256 -0.429 . . . . 2.4399999999999999 111.501 -175.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.2 t -70.7 -13.41 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 1.1399999999999999 111.061 -173.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.92 -36.23 80.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.559 0.695 . . . . 0.68000000000000005 111.039 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.61 49.02 2.07 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.671 -0.695 . . . . 0.77000000000000002 112.275 -177.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -134.18 14.98 3.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.928 0.394 . . . . 3.6299999999999999 110.801 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.6 m -137.59 151.38 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.94999999999999996 110.163 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -136.08 -5.17 2.13 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.081 -0.248 . . . . 1.75 111.219 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 64.2 p -126.58 147.76 61.85 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.455 -0.339 . . . . 0.5 110.68 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.43 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 50.8 Cg_exo -56.41 -34.36 94.29 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.276 2.651 . . . . 0.38 112.273 177.044 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.41 -45.45 72.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.631 -0.713 . . . . 3.5600000000000001 110.443 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -65.89 -48.58 71.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.126 -0.488 . . . . 2.4300000000000002 110.857 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.94 -52.04 66.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.675 -0.693 . . . . 1.22 110.239 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.615 ' HG ' ' HG ' ' A' ' 5' ' ' LEU . 3.7 tt -59.55 -44.09 93.36 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.724 -0.671 . . . . 1.1200000000000001 110.767 -178.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -65.45 -44.54 86.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.959 -0.564 . . . . 1.4299999999999999 111.751 -177.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.6 tp -61.41 -47.4 85.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.894 -0.594 . . . . 1.6599999999999999 111.916 -173.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.6 mt -69.57 -28.32 37.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.798 0.333 . . . . 0.40999999999999998 111.019 -177.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -68.13 -36.72 80.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.373 . . . . 1.6699999999999999 110.998 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -59.69 -38.4 93.76 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.107 -0.568 . . . . 0.54000000000000004 112.127 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.44 -40.48 64.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.021 0.438 . . . . 0.72999999999999998 111.313 -178.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.33 -35.6 80.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.195 -0.457 . . . . 0.87 110.985 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.987 -0.551 . . . . 1.05 112.057 -177.901 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.1 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.753 0.311 . . . . 0.88 110.42 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.613 HD21 ' HB2' ' A' ' 10' ' ' LEU . 7.6 tt -78.05 123.49 26.91 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.205 -0.665 . . . . 1.0 109.205 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.4 p -100.08 164.87 11.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.198 -0.455 . . . . 1.21 111.409 -175.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.487 HG22 HD11 ' A' ' 31' ' ' LEU . 6.6 p -56.31 -49.26 74.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.718 -0.673 . . . . 1.3 110.947 175.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.496 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 3.5 m-20 -66.88 -44.15 81.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.438 -0.801 . . . . 2.1899999999999999 111.398 -175.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.57 -37.67 84.71 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.014 -0.274 . . . . 1.1200000000000001 110.851 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.613 ' HB2' HD21 ' A' ' 5' ' ' LEU . 59.1 tp -65.16 -51.79 59.0 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.765 -0.458 . . . . 1.0800000000000001 109.765 175.419 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -55.97 -47.76 77.06 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.82 -0.627 . . . . 2.1699999999999999 112.024 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.534 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 15.0 ptm180 -67.46 -28.86 68.23 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 121.173 -0.211 . . . . 3.6600000000000001 111.504 -177.438 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.88 -35.76 79.26 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.743 0.306 . . . . 0.48999999999999999 111.133 -177.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.692 HD13 HG21 ' A' ' 48' ' ' THR . 4.1 mm? -63.54 -43.88 95.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.79000000000000004 110.373 178.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.0 t -71.73 -34.26 51.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.926 -0.579 . . . . 0.70999999999999996 111.079 -177.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 45.3 mt-10 -67.51 -35.65 79.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.294 -0.412 . . . . 1.49 111.321 -177.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.8 m -83.7 -17.64 40.64 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.933 -0.307 . . . . 1.25 111.152 175.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.457 -0.338 . . . . 1.6799999999999999 110.816 178.063 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.8 mt . . . . . 0 C--O 1.235 0.291 0 CA-C-O 120.92 0.39 . . . . 1.6000000000000001 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.8 t -80.34 98.94 7.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.325 0.583 . . . . 2.0800000000000001 109.971 176.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 154.32 -149.54 20.93 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.297 -0.865 . . . . 1.8400000000000001 111.333 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -87.34 69.52 9.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.094 0.473 . . . . 2.77 110.163 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.436 ' O ' ' HG2' ' A' ' 71' ' ' PRO . 37.6 p90 -72.96 -31.3 64.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.005 -0.543 . . . . 0.92000000000000004 110.433 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.74 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 95.6 mt -58.23 -21.23 47.25 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.972 -0.558 . . . . 0.78000000000000003 111.944 177.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -94.47 -19.61 20.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.07 0.462 . . . . 2.29 110.6 -176.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.9 mt -90.67 131.61 36.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.993 -0.549 . . . . 1.23 111.235 -176.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -66.43 143.68 56.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.751 -0.204 . . . . 2.8799999999999999 111.291 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -53.55 -42.21 67.26 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.346 -0.388 . . . . 0.58999999999999997 111.224 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -54.42 -33.14 58.81 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.683 -0.69 . . . . 2.6000000000000001 111.625 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -89.74 -27.38 20.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.802 0.334 . . . . 2.0299999999999998 111.406 -173.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.504 HG13 ' HD2' ' A' ' 40' ' ' TYR . 25.5 pt -87.36 19.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.996 0.427 . . . . 0.67000000000000004 111.54 -178.092 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.44 21.73 59.8 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.637 -0.792 . . . . 0.62 113.5 172.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.504 ' HD2' HG13 ' A' ' 38' ' ' ILE . 76.1 m-85 -116.21 98.86 6.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.262 0.554 . . . . 0.70999999999999996 110.803 177.438 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -80.13 -179.74 7.2 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.87 -1.059 . . . . 1.9299999999999999 109.911 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.5 p -50.93 -49.88 58.82 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 122.87 0.468 . . . . 0.91000000000000003 111.706 -177.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.92 -51.39 69.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.816 -0.629 . . . . 1.3200000000000001 111.258 -178.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.1 -37.82 88.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.15 0.5 . . . . 0.46999999999999997 111.007 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.1 tp -63.5 -46.98 83.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.773 -0.648 . . . . 0.75 111.374 -178.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.1 ptm -65.31 -38.59 90.65 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 121.014 -0.274 . . . . 1.26 111.328 -177.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -66.36 -31.57 72.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.132 0.491 . . . . 2.2000000000000002 110.826 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.692 HG21 HD13 ' A' ' 14' ' ' LEU . 43.4 m -67.16 -27.44 67.3 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.237 -0.438 . . . . 0.54000000000000004 111.544 178.486 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.94 -35.82 71.66 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.066 0.395 . . . . 0.46000000000000002 112.066 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.99 -26.52 68.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.108 -0.496 . . . . 0.48999999999999999 111.066 -175.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -66.53 -35.65 80.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.686 -0.688 . . . . 2.8599999999999999 111.454 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 68.6 mt -83.23 -45.33 13.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.111 0.481 . . . . 0.56000000000000005 110.905 -176.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.422 ' OE1' ' HA ' ' A' ' 59' ' ' SER . 38.7 mt-10 -56.58 -55.44 33.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.472 -0.785 . . . . 0.51000000000000001 111.559 -178.321 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 55.4 p -66.83 -22.75 65.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 1.4199999999999999 111.738 -175.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -80.34 -51.85 8.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.306 -0.406 . . . . 2.4199999999999999 111.17 -175.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.571 ' CZ ' ' HA ' ' A' ' 5' ' ' LEU . 93.5 m-85 -94.69 -7.49 40.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.613 0.244 . . . . 1.0800000000000001 111.562 -175.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.85 47.17 20.7 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.514 -0.85 . . . . 0.57999999999999996 111.131 -176.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.8 m -124.39 -171.76 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.461 -0.369 . . . . 0.45000000000000001 110.18 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.422 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . 8.6 t -153.97 135.55 14.33 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.149 -0.686 . . . . 1.6200000000000001 109.149 173.217 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 70.6 mt -93.42 118.15 67.53 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 116.074 -0.512 . . . . 0.59999999999999998 109.965 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.44 127.63 26.07 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.871 2.381 . . . . 0.81000000000000005 112.286 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.3 p-10 -59.77 -34.3 72.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.54 -0.754 . . . . 1.99 112.379 -174.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -77.42 -44.95 27.36 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.767 0.318 . . . . 2.4399999999999999 110.464 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 44.5 t -71.19 -22.06 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.13 -0.486 . . . . 1.1399999999999999 110.54 -176.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.73 -23.42 67.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.961 0.41 . . . . 0.68000000000000005 110.974 176.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.55 -3.34 62.85 Favored Glycine 0 C--O 1.228 -0.254 0 C-N-CA 121.0 -0.619 . . . . 0.77000000000000002 112.159 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.42 -11.98 24.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.846 0.355 . . . . 3.6299999999999999 110.727 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.6 m -89.56 158.88 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.708 -0.478 . . . . 0.94999999999999996 109.708 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -142.68 -47.15 0.32 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.082 0.468 . . . . 1.75 110.901 -176.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.9 p -103.25 150.13 37.63 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.018 -0.537 . . . . 0.5 110.964 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.74 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 53.2 Cg_exo -55.54 -32.75 84.1 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.132 2.555 . . . . 0.38 112.305 177.06 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -53.46 -52.49 59.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.011 -0.54 . . . . 3.5600000000000001 110.491 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.73 -40.04 90.9 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.895 -0.593 . . . . 2.4300000000000002 110.625 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.56 -48.56 78.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.924 -0.58 . . . . 1.22 110.205 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.538 ' HG ' HD22 ' A' ' 5' ' ' LEU . 5.4 tt -61.05 -51.17 70.33 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.879 -0.6 . . . . 1.1200000000000001 109.966 178.181 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -56.23 -42.06 76.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.241 -0.436 . . . . 1.4299999999999999 111.564 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.74 -54.0 48.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 1.6599999999999999 111.433 -177.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 43.8 mt -68.51 -33.11 58.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.375 -0.375 . . . . 0.40999999999999998 111.034 -176.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -68.48 -44.36 74.94 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.859 -0.336 . . . . 1.6699999999999999 110.23 176.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.16 -33.51 87.44 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.203 -0.522 . . . . 0.54000000000000004 112.61 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.3 -39.31 78.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.72999999999999998 110.557 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.3 mt -74.19 -37.9 63.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.031 -0.531 . . . . 0.87 111.514 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 1.05 111.993 -178.396 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.7 mt . . . . . 0 C--O 1.231 0.122 0 N-CA-C 109.718 -0.475 . . . . 0.88 109.718 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.823 HD22 ' HG ' ' A' ' 75' ' ' LEU . 4.1 tt -84.39 122.71 29.32 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.513 -0.551 . . . . 1.0 109.513 -177.079 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.452 ' H ' ' HB2' ' A' ' 9' ' ' ASP . 38.9 p -111.11 165.97 11.45 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.927 -0.397 . . . . 1.21 109.927 178.319 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.491 HG23 HD11 ' A' ' 31' ' ' LEU . 3.4 m -56.99 -40.39 76.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 1.3 110.839 175.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -70.71 -39.86 73.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.187 -0.461 . . . . 2.1899999999999999 111.011 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.452 ' HB2' ' H ' ' A' ' 6' ' ' THR . 3.9 m-20 -62.08 -42.77 99.55 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 120.874 0.369 . . . . 1.1200000000000001 110.196 176.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.463 ' HB2' HD21 ' A' ' 5' ' ' LEU . 44.0 tp -63.62 -46.03 87.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.978 -0.555 . . . . 1.0800000000000001 110.024 177.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -54.91 -53.27 57.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.753 -0.658 . . . . 2.1699999999999999 111.115 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -66.83 -29.62 69.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.308 -0.406 . . . . 3.6600000000000001 110.923 -175.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.73 -45.98 90.19 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.432 -0.349 . . . . 0.48999999999999999 110.791 -178.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.568 HD13 HG21 ' A' ' 48' ' ' THR . 4.5 mm? -62.44 -43.52 98.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.078 0.466 . . . . 0.79000000000000004 110.819 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 67.9 t -66.11 -56.19 15.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.704 -0.68 . . . . 0.70999999999999996 111.339 -177.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -76.14 -9.17 58.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.415 . . . . 1.49 111.926 -173.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.2 t -80.44 -40.72 25.79 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.986 -0.376 . . . . 1.25 109.986 174.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.989 -0.55 . . . . 1.6799999999999999 111.139 -178.574 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.7 tp . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 122.051 0.929 . . . . 1.6000000000000001 109.239 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.67 0.58 57.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.853 -1.067 . . . . 2.0800000000000001 111.195 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.08 41.65 2.59 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.955 -0.64 . . . . 1.8400000000000001 112.307 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.7 t0 71.06 156.78 0.16 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.451 0.7 . . . . 2.77 111.174 -176.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -165.45 -26.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.909 -0.587 . . . . 0.92000000000000004 111.05 -176.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.696 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 97.1 mt -55.74 -40.51 72.6 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.818 0.673 . . . . 0.78000000000000003 112.818 -174.023 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -93.2 -14.6 26.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.206 0.527 . . . . 2.29 110.875 -175.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.6 mt -86.13 146.72 26.47 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.974 -0.557 . . . . 1.23 110.212 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -71.35 149.39 46.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.525 -0.307 . . . . 2.8799999999999999 110.751 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.42 ' HA ' HG12 ' A' ' 38' ' ' ILE . 67.5 m-85 -54.48 -37.43 65.26 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.949 0.404 . . . . 0.58999999999999997 110.492 176.083 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -56.13 -30.37 62.03 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.5 -0.773 . . . . 2.6000000000000001 111.331 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -92.06 -25.08 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 2.0299999999999998 112.141 -172.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.472 HG13 ' HD2' ' A' ' 40' ' ' TYR . 26.2 pt -87.34 21.97 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.589 -0.445 . . . . 0.67000000000000004 111.844 -176.14 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.64 17.17 80.22 Favored Glycine 0 CA--C 1.52 0.356 0 CA-C-N 115.928 -0.578 . . . . 0.62 114.085 172.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.472 ' HD2' HG13 ' A' ' 38' ' ' ILE . 57.5 m-85 -107.48 115.41 30.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.55 0.675 . . . . 0.70999999999999996 111.034 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -73.52 161.38 30.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.638 -0.71 . . . . 1.9299999999999999 110.024 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -44.06 55.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 123.438 0.461 . . . . 0.91000000000000003 111.984 178.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.499 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 63.0 tp -57.28 -57.83 10.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 1.3200000000000001 110.868 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.69 -28.65 70.09 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.188 0.518 . . . . 0.46999999999999997 111.189 -177.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.3 tp -64.65 -51.08 64.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.946 -0.57 . . . . 0.75 110.769 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.9 ptt? -72.68 -24.28 61.0 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.821 -0.351 . . . . 1.26 111.153 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 9.9 mm-40 -63.08 -45.9 89.96 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.583 0.706 . . . . 2.2000000000000002 109.536 175.123 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.568 HG21 HD13 ' A' ' 14' ' ' LEU . 35.6 m -63.36 -29.25 70.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.215 -0.902 . . . . 0.54000000000000004 111.592 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.442 ' HB1' HD12 ' A' ' 60' ' ' ILE . . . -57.53 -41.7 81.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.904 0.383 . . . . 0.46000000000000002 111.398 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.22 -29.35 70.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.747 -0.66 . . . . 0.48999999999999999 110.827 -177.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 51' ' ' ARG . 8.5 mmm180 -72.06 -36.75 69.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.569 -0.741 . . . . 2.8599999999999999 110.447 -177.224 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.7 mt -67.71 -47.18 70.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.973 0.416 . . . . 0.56000000000000005 110.114 178.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.458 ' OE2' ' HA ' ' A' ' 59' ' ' SER . 55.2 mt-10 -59.04 -47.62 84.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.566 -0.743 . . . . 0.51000000000000001 110.499 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.1 m -65.4 -30.95 71.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.251 -0.431 . . . . 1.4199999999999999 111.705 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -71.71 -53.62 12.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 2.4199999999999999 110.503 -177.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.403 ' OH ' ' HA ' ' A' ' 5' ' ' LEU . 87.9 m-85 -93.74 -8.79 39.74 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.139 0.422 . . . . 1.0800000000000001 112.139 -172.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.45 34.82 49.3 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.33 -0.938 . . . . 0.57999999999999996 111.156 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.45 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 21.7 m -112.2 -173.75 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.039 0.447 . . . . 0.45000000000000001 110.884 -176.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.458 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 8.2 t -146.93 138.14 24.06 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.95 -0.759 . . . . 1.6200000000000001 108.95 170.175 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.442 HD12 ' HB1' ' A' ' 49' ' ' ALA . 67.6 mt -90.86 118.87 68.92 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.232 -0.44 . . . . 0.59999999999999998 110.072 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.431 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 52.5 Cg_exo -52.95 120.64 7.98 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.718 2.278 . . . . 0.81000000000000005 112.317 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -56.87 -38.51 72.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.387 -0.824 . . . . 1.99 112.348 -175.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -78.92 -40.04 33.12 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.353 0.597 . . . . 2.4399999999999999 110.478 -177.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.431 ' HB ' ' HB2' ' A' ' 61' ' ' PRO . 21.9 t -76.02 -27.03 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.922 -0.581 . . . . 1.1399999999999999 111.544 -176.381 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.422 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -61.24 -37.2 82.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.359 . . . . 0.68000000000000005 111.108 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.54 9.74 41.01 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.724 -0.671 . . . . 0.77000000000000002 112.702 -178.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -100.52 -16.62 17.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.618 0.246 . . . . 3.6299999999999999 110.818 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 65' ' ' ALA . 18.9 m -96.2 159.78 2.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 120.898 0.38 . . . . 0.94999999999999996 111.352 -176.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -143.68 -1.4 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.785 -0.643 . . . . 1.75 110.345 174.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 p -135.53 136.86 24.72 Favored Pre-proline 0 N--CA 1.449 -0.482 0 CA-C-N 115.855 -0.611 . . . . 0.5 111.314 -173.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.696 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 89.8 Cg_exo -50.53 -40.77 54.37 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 124.051 3.167 . . . . 0.38 113.619 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -54.0 -52.13 61.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.954 0.406 . . . . 3.5600000000000001 111.281 -178.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -64.83 -31.23 72.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.945 -0.57 . . . . 2.4300000000000002 111.364 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.24 -43.85 76.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.137 -0.483 . . . . 1.22 110.097 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.823 ' HG ' HD22 ' A' ' 5' ' ' LEU . 8.8 tt -58.49 -55.98 27.99 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.905 -0.589 . . . . 1.1200000000000001 110.666 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.11 -26.98 67.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.224 -0.444 . . . . 1.4299999999999999 111.555 -178.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.7 tp -64.11 -52.68 58.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.657 0.265 . . . . 1.6599999999999999 111.178 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.7 mt -67.54 -44.16 86.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.40999999999999998 110.628 -177.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -64.87 -32.25 73.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.411 -0.359 . . . . 1.6699999999999999 111.388 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.08 -35.46 91.51 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.522 -0.847 . . . . 0.54000000000000004 111.918 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.45 -30.43 61.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.103 0.478 . . . . 0.72999999999999998 110.764 177.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.402 HD21 ' CG1' ' A' ' 58' ' ' VAL . 94.4 mt -72.52 -42.25 65.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.837 -0.62 . . . . 0.87 110.869 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.054 0.454 . . . . 1.05 110.965 177.767 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.3 mt . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.899 -0.408 . . . . 0.88 109.899 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.689 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 2.3 tt -80.4 121.76 26.11 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.932 -1.136 . . . . 1.0 107.932 176.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -121.35 159.26 26.46 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.194 -0.298 . . . . 1.21 110.194 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.456 ' CG2' HD11 ' A' ' 31' ' ' LEU . 3.1 m -55.77 -33.53 64.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.973 -0.558 . . . . 1.3 111.649 -177.464 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.35 -60.91 3.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.823 -0.626 . . . . 2.1899999999999999 110.539 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -67.12 -29.47 69.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.192 -0.913 . . . . 1.1200000000000001 111.434 -178.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.21 -44.16 97.71 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.819 -0.437 . . . . 1.0800000000000001 109.819 176.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -56.29 -32.43 64.58 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.609 -0.723 . . . . 2.1699999999999999 111.097 176.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -77.48 -42.37 36.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 3.6600000000000001 111.555 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.73 -37.63 82.4 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.155 0.428 . . . . 0.48999999999999999 112.155 -173.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.406 ' HB3' ' OH ' ' A' ' 40' ' ' TYR . 4.5 mm? -63.36 -37.12 86.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.102 0.477 . . . . 0.79000000000000004 110.706 177.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.1 t -73.2 -39.65 56.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.004 0.431 . . . . 0.70999999999999996 110.036 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -61.38 -37.94 85.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.905 -0.589 . . . . 1.49 111.169 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.807 ' HB3' ' HG3' ' A' ' 51' ' ' ARG . 18.4 p -78.01 -39.88 40.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.577 0.227 . . . . 1.25 111.219 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.946 0.403 . . . . 1.6799999999999999 110.77 178.726 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 120.995 0.426 . . . . 1.6000000000000001 110.103 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.1 t -70.7 -26.81 63.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 2.0800000000000001 110.168 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -103.81 -162.84 25.0 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.885 -0.674 . . . . 1.8400000000000001 111.833 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -81.34 131.18 35.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.811 0.339 . . . . 2.77 110.327 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -117.42 -22.98 7.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.971 -0.559 . . . . 0.92000000000000004 111.045 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.7 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 3.8 mp -60.18 -30.11 69.13 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 112.299 0.481 . . . . 0.78000000000000003 112.299 -176.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -89.29 -19.6 25.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.178 0.513 . . . . 2.29 110.891 -174.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.5 mt -88.99 151.43 22.3 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.741 -0.663 . . . . 1.23 109.67 177.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.453 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 93.0 mtt180 -73.02 153.96 40.68 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.231 -0.293 . . . . 2.8799999999999999 110.291 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -55.55 -52.51 63.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.719 0.295 . . . . 0.58999999999999997 111.44 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.486 ' H ' ' CD ' ' A' ' 36' ' ' GLU . 1.2 mp0 -60.62 -22.44 63.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.3 0.572 . . . . 2.6000000000000001 110.651 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -82.79 -32.47 27.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.72 -0.673 . . . . 2.0299999999999998 109.82 -174.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.436 HG13 ' HD2' ' A' ' 40' ' ' TYR . 14.4 pt -91.86 14.66 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.302 -0.408 . . . . 0.67000000000000004 111.549 176.096 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.94 20.44 61.14 Favored Glycine 0 CA--C 1.516 0.137 0 C-N-CA 121.021 -0.609 . . . . 0.62 113.632 174.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.436 ' HD2' HG13 ' A' ' 38' ' ' ILE . 55.1 m-85 -108.52 103.57 12.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.192 0.52 . . . . 0.70999999999999996 110.604 176.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -88.57 -172.67 3.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.445 -0.798 . . . . 1.9299999999999999 110.55 -175.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.7 p -52.56 -55.3 23.19 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.378 0.671 . . . . 0.91000000000000003 112.161 -173.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' A' ' 46' ' ' MET . 59.9 tp -61.16 -46.3 91.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.833 -0.621 . . . . 1.3200000000000001 111.452 -176.362 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.43 -36.82 85.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.116 0.484 . . . . 0.46999999999999997 110.979 -178.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.3 tp -67.62 -46.64 71.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.875 -0.602 . . . . 0.75 111.103 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.496 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 5.2 ppp? -66.65 -34.52 78.05 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.119 -0.232 . . . . 1.26 111.176 -176.213 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.45 -35.23 79.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.942 0.401 . . . . 2.2000000000000002 110.718 175.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 53.1 m -63.22 -32.49 73.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.985 -0.552 . . . . 0.54000000000000004 111.045 178.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.48 -48.82 76.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.325 -0.398 . . . . 0.46000000000000002 110.507 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.81 -26.21 68.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.388 0.613 . . . . 0.48999999999999999 110.723 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.807 ' HG3' ' HB3' ' A' ' 17' ' ' SER . 3.9 mmp_? -72.3 -35.73 68.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.683 -0.689 . . . . 2.8599999999999999 110.974 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.552 HD22 HD11 ' A' ' 5' ' ' LEU . 77.8 mt -83.64 -47.95 10.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.584 -0.28 . . . . 0.56000000000000005 111.554 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.486 ' HA ' HG22 ' A' ' 58' ' ' VAL . 52.5 mt-10 -59.44 -55.51 33.77 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.292 -0.413 . . . . 0.51000000000000001 111.902 -174.629 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.5 m -66.14 -20.75 66.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.888 0.375 . . . . 1.4199999999999999 111.578 -177.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 51' ' ' ARG . 42.8 ttt180 -81.3 -47.56 13.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.117 -0.492 . . . . 2.4199999999999999 111.15 -175.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.689 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 99.1 m-85 -100.47 -9.33 22.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.169 -0.469 . . . . 1.0800000000000001 111.845 -175.315 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.42 50.86 7.82 Favored Glycine 0 N--CA 1.453 -0.175 0 C-N-CA 120.639 -0.791 . . . . 0.57999999999999996 112.141 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.486 HG22 ' HA ' ' A' ' 53' ' ' GLU . 34.2 m -121.67 -171.81 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.985 0.422 . . . . 0.45000000000000001 111.016 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.0 m -147.81 117.53 7.1 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.19 -0.67 . . . . 1.6200000000000001 109.19 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.1 mt -90.08 123.01 67.07 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.831 0.348 . . . . 0.59999999999999998 110.92 -176.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.425 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 48.1 Cg_exo -56.26 128.88 31.98 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.306 2.671 . . . . 0.81000000000000005 112.821 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -56.56 -53.04 62.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.485 -0.78 . . . . 1.99 112.375 -175.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -79.71 -29.96 40.86 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.865 -0.334 . . . . 2.4399999999999999 111.583 -171.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.425 ' HB ' ' HB2' ' A' ' 61' ' ' PRO . 45.4 t -72.71 -36.37 52.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.065 0.459 . . . . 1.1399999999999999 110.17 -179.226 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.8 -15.45 61.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.948 -0.569 . . . . 0.68000000000000005 111.918 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.4 -11.85 65.97 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.483 -0.865 . . . . 0.77000000000000002 112.28 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -97.88 -7.77 29.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.649 0.262 . . . . 3.6299999999999999 111.229 -176.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.4 m -90.16 106.65 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.732 0.777 . . . . 0.94999999999999996 110.689 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.453 ' O ' ' HA ' ' A' ' 34' ' ' ARG . 12.7 p-10 -91.61 -13.44 31.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.502 -0.772 . . . . 1.75 110.27 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.3 p -130.42 140.55 39.01 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.783 -0.644 . . . . 0.5 110.761 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.7 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 46.6 Cg_exo -57.38 -23.6 55.95 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 123.095 2.53 . . . . 0.38 112.222 176.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -51.44 -55.55 18.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.715 -0.675 . . . . 3.5600000000000001 110.645 178.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -66.87 -38.21 85.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.641 -0.709 . . . . 2.4300000000000002 111.545 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.27 -51.54 69.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.327 -0.397 . . . . 1.22 110.227 -177.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.449 ' CD1' HD22 ' A' ' 5' ' ' LEU . 46.8 tp -59.65 -47.27 86.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.369 -0.378 . . . . 1.1200000000000001 110.451 178.074 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -56.0 -41.51 74.99 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.798 -0.637 . . . . 1.4299999999999999 110.78 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.1 tp -61.81 -56.19 22.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.458 -0.792 . . . . 1.6599999999999999 111.31 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 65.9 mt -61.54 -41.48 90.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.425 . . . . 0.40999999999999998 111.006 -176.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.438 HD22 ' HA ' ' A' ' 79' ' ' ASN . 8.9 m120 -58.92 -48.82 80.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.363 -0.381 . . . . 1.6699999999999999 110.922 176.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.68 -34.4 89.53 Favored Glycine 0 C--N 1.329 0.152 0 C-N-CA 121.042 -0.599 . . . . 0.54000000000000004 112.491 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.36 -32.58 70.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.042 0.449 . . . . 0.72999999999999998 110.599 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.6 mt -79.73 -25.61 41.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.96 -0.564 . . . . 0.87 110.797 178.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.044 -0.526 . . . . 1.05 111.434 -179.869 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.773 0.32 . . . . 0.88 110.756 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.731 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -80.93 125.17 29.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 1.0 109.736 -177.379 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.5 p -107.34 167.76 9.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.97 0.415 . . . . 1.21 111.409 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.522 HG22 HD11 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -58.04 -56.43 22.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.821 -0.627 . . . . 1.3 112.53 178.716 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -63.02 -32.32 73.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.162 -0.472 . . . . 2.1899999999999999 111.537 -176.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -63.02 -48.15 79.98 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.153 -0.684 . . . . 1.1200000000000001 109.153 176.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.466 HD21 ' HB3' ' A' ' 71' ' ' PRO . 54.9 tp -60.09 -43.58 95.42 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.181 -0.918 . . . . 1.0800000000000001 110.306 177.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 11' ' ' ARG . 38.1 ttm180 -53.0 -40.82 64.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 2.1699999999999999 110.878 178.1 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -70.37 -33.38 71.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.447 -0.342 . . . . 3.6600000000000001 111.156 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.79 88.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.375 -0.375 . . . . 0.48999999999999999 110.979 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.549 ' HB3' ' OH ' ' A' ' 40' ' ' TYR . 3.6 mm? -65.02 -41.33 95.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.922 0.392 . . . . 0.79000000000000004 110.195 176.632 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 82.8 t -61.29 -47.56 92.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.092 -0.503 . . . . 0.70999999999999996 110.744 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.75 -17.81 61.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.453 -0.339 . . . . 1.49 111.628 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.8 m -84.1 -13.91 51.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 1.25 111.187 177.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.369 -0.378 . . . . 1.6799999999999999 110.705 179.719 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.2 tp . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.194 0.521 . . . . 1.6000000000000001 110.252 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.6 p -72.72 -21.67 61.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.678 -0.692 . . . . 2.0800000000000001 110.616 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -103.67 -101.77 2.68 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.872 -0.68 . . . . 1.8400000000000001 112.492 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -96.45 160.18 14.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.864 0.364 . . . . 2.77 110.622 -174.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -176.44 -32.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.414 -0.812 . . . . 0.92000000000000004 109.812 -175.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.582 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 29.0 mt -55.91 -49.03 74.58 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 113.755 1.02 . . . . 0.78000000000000003 113.755 -175.095 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -93.95 -0.11 55.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.299 0.571 . . . . 2.29 111.049 -170.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.7 mt -87.7 140.31 29.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.91 -0.586 . . . . 1.23 109.864 175.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.436 ' HB3' ' OE1' ' A' ' 36' ' ' GLU . 79.9 mtm180 -70.63 158.55 35.99 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.776 -0.453 . . . . 2.8799999999999999 109.776 178.535 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -57.15 -40.82 78.0 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.565 -0.288 . . . . 0.58999999999999997 111.539 -178.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.436 ' OE1' ' HB3' ' A' ' 34' ' ' ARG . 3.0 pm0 -64.64 -26.48 68.41 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.635 -0.257 . . . . 2.6000000000000001 111.608 175.057 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -82.07 -28.57 32.31 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 120.929 0.395 . . . . 2.0299999999999998 110.144 -175.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.49 HG13 ' HD1' ' A' ' 40' ' ' TYR . 21.2 pt -90.49 3.68 6.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.67000000000000004 111.028 176.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.31 49.45 20.41 Favored Glycine 0 C--N 1.332 0.324 0 CA-C-N 115.964 -0.562 . . . . 0.62 114.097 173.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.549 ' OH ' ' HB3' ' A' ' 14' ' ' LEU . 37.7 m-85 -118.9 122.98 43.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.421 0.61 . . . . 0.70999999999999996 111.509 177.294 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -71.67 166.61 21.56 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.288 -0.869 . . . . 1.9299999999999999 111.347 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.4 p -53.9 -51.27 64.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.848 -0.615 . . . . 0.91000000000000003 110.896 175.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.509 ' O ' ' HG3' ' A' ' 46' ' ' MET . 33.6 tp -59.63 -40.16 86.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.41 -0.814 . . . . 1.3200000000000001 111.428 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.33 -41.68 89.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.144 0.497 . . . . 0.46999999999999997 110.59 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.4 tp -63.79 -39.03 93.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.509 -0.769 . . . . 0.75 111.968 -175.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.509 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 5.1 ppp? -69.16 -32.22 71.4 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.784 -0.367 . . . . 1.26 110.718 -179.467 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.59 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 30.0 mm-40 -67.07 -38.85 86.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.608 -0.269 . . . . 2.2000000000000002 110.619 173.222 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.2 m -57.63 -41.0 80.47 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.163 -0.471 . . . . 0.54000000000000004 110.81 177.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.489 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -57.22 -49.15 76.9 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.049 -0.523 . . . . 0.46000000000000002 110.414 176.205 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.69 -33.21 73.59 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.557 -0.747 . . . . 0.48999999999999999 111.0 -177.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.59 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 4.8 mmp_? -57.71 -45.25 85.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.473 -0.785 . . . . 2.8599999999999999 110.552 178.051 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.479 HD22 HD11 ' A' ' 5' ' ' LEU . 70.9 mt -75.09 -45.76 39.15 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.946 -0.57 . . . . 0.56000000000000005 111.059 -176.659 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 46.8 mt-10 -56.46 -49.49 74.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.885 -0.598 . . . . 0.51000000000000001 110.948 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.2 t -63.74 -35.98 82.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.954 -0.566 . . . . 1.4199999999999999 111.508 -176.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -76.68 -50.04 14.66 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.864 0.32 . . . . 2.4199999999999999 111.864 -174.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.731 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 89.8 m-85 -93.08 -1.8 56.16 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.249 0.462 . . . . 1.0800000000000001 112.249 -172.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.48 34.62 79.73 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.257 -0.973 . . . . 0.57999999999999996 111.531 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.8 m -111.74 -169.17 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.61 -0.295 . . . . 0.45000000000000001 110.523 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 t -157.66 138.04 12.78 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.718 -0.845 . . . . 1.6200000000000001 108.718 174.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.8 mt -95.45 112.44 58.84 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 116.192 -0.458 . . . . 0.59999999999999998 110.16 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -61.05 117.74 4.55 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.155 1.903 . . . . 0.81000000000000005 111.493 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -66.97 -6.85 18.45 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.471 0.545 . . . . 1.99 112.471 -175.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -78.02 -56.73 4.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.178 0.513 . . . . 2.4399999999999999 110.364 174.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.4 t -78.83 -12.68 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.998 -0.546 . . . . 1.1399999999999999 110.962 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.495 ' O ' HG12 ' A' ' 68' ' ' VAL . . . -62.12 -38.72 90.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.68000000000000005 111.792 -178.389 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.03 38.08 2.71 Favored Glycine 0 C--N 1.321 -0.258 0 C-N-CA 120.72 -0.753 . . . . 0.77000000000000002 112.153 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -144.77 31.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.896 0.379 . . . . 3.6299999999999999 110.309 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 65' ' ' ALA . 7.3 p -132.87 126.08 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.178 -0.465 . . . . 0.94999999999999996 110.263 -178.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -94.08 -43.17 8.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.178 -0.464 . . . . 1.75 111.437 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.558 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 77.0 p -125.98 149.58 66.65 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.953 0.406 . . . . 0.5 112.007 -172.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.582 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 72.1 Cg_exo -47.22 -38.87 26.3 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.763 2.975 . . . . 0.38 112.931 173.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.475 ' HG2' HD13 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -56.09 -41.37 75.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 3.5600000000000001 110.966 -179.692 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.45 ' HB2' HG23 ' A' ' 68' ' ' VAL . 34.2 mt-10 -68.29 -50.37 54.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.973 -0.558 . . . . 2.4300000000000002 110.285 175.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.29 -46.63 65.99 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.173 -0.921 . . . . 1.22 111.137 -178.435 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.7 tp -54.83 -54.81 37.51 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.228 -0.896 . . . . 1.1200000000000001 110.983 -177.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -64.32 -37.42 87.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.958 -0.565 . . . . 1.4299999999999999 111.06 -176.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.7 tp -63.25 -47.31 82.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.005 -0.543 . . . . 1.6599999999999999 111.147 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 70.6 mt -65.04 -37.82 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 0.40999999999999998 110.683 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -60.8 -42.04 96.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 1.6699999999999999 110.541 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.96 -40.66 99.17 Favored Glycine 0 C--N 1.331 0.269 0 CA-C-N 116.109 -0.496 . . . . 0.54000000000000004 112.468 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.49 68.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.16 0.505 . . . . 0.72999999999999998 111.197 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.75 -29.41 45.16 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.726 -0.67 . . . . 0.87 110.671 -177.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.301 -0.408 . . . . 1.05 112.006 -177.3 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.4 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.58 0.229 . . . . 0.88 110.799 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.557 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 1.8 tt -84.95 122.27 28.96 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.188 -1.041 . . . . 1.0 108.188 174.672 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.43 165.45 11.39 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.36 0.504 . . . . 1.21 112.36 -174.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.474 HG22 HD11 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -57.7 -57.65 11.81 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.599 0.592 . . . . 1.3 112.599 -178.46 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -62.11 -39.94 94.23 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.076 0.465 . . . . 2.1899999999999999 110.702 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.468 ' HB3' ' OH ' ' A' ' 56' ' ' TYR . 5.1 m-20 -67.99 -27.92 66.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.825 -0.625 . . . . 1.1200000000000001 111.186 178.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.4 tp -70.43 -41.76 72.46 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.353 -0.61 . . . . 1.0800000000000001 109.353 173.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.805 ' HG3' ' HG ' ' A' ' 26' ' ' LEU . 39.2 ttp180 -55.46 -43.92 75.93 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 109.385 -0.598 . . . . 2.1699999999999999 109.385 173.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.529 ' HB3' ' OE2' ' A' ' 16' ' ' GLU . 53.6 mtp180 -57.69 -39.57 77.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.154 -0.93 . . . . 3.6600000000000001 111.479 175.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.72 -41.63 91.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.957 -0.565 . . . . 0.48999999999999999 111.728 -173.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.6 mm? -62.74 -48.59 78.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.771 0.319 . . . . 0.79000000000000004 110.532 178.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 52.1 t -63.37 -51.05 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.688 -0.687 . . . . 0.70999999999999996 110.699 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.529 ' OE2' ' HB3' ' A' ' 12' ' ' ARG . 53.1 mt-10 -64.61 -19.19 65.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.961 -0.563 . . . . 1.49 112.443 -176.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.426 ' OG ' ' HA ' ' A' ' 48' ' ' THR . 49.6 m -90.17 -63.0 1.34 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.179 0.437 . . . . 1.25 112.179 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.705 0.288 . . . . 1.6799999999999999 111.553 -174.374 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.805 ' HG ' ' HG3' ' A' ' 11' ' ' ARG . 38.2 tp . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.997 0.427 . . . . 1.6000000000000001 110.069 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.5 m -87.87 -9.27 54.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.905 -0.589 . . . . 2.0800000000000001 111.121 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.94 -136.39 8.46 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.938 -0.648 . . . . 1.8400000000000001 111.974 178.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -81.04 59.5 3.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.765 0.317 . . . . 2.77 110.835 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -65.96 -29.94 70.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.233 0.539 . . . . 0.92000000000000004 109.971 -178.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.647 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 92.1 mt -57.49 -23.84 52.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.505 -0.77 . . . . 0.78000000000000003 111.728 176.189 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -94.85 -22.85 17.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 2.29 111.053 -172.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -90.53 150.96 21.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.259 -0.428 . . . . 1.23 110.453 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.554 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . 32.0 mtt180 -72.42 156.41 39.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.946 0.403 . . . . 2.8799999999999999 111.345 177.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -55.53 -43.05 75.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.025 -0.534 . . . . 0.58999999999999997 110.623 173.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.419 ' HG2' ' HB3' ' A' ' 34' ' ' ARG . 13.2 pt-20 -61.18 -28.79 69.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.858 -0.61 . . . . 2.6000000000000001 111.557 176.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.554 ' OD2' ' HB2' ' A' ' 34' ' ' ARG . 59.7 m-20 -80.49 -29.68 37.38 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 110.332 -0.247 . . . . 2.0299999999999998 110.332 -175.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.437 HG13 ' HD1' ' A' ' 40' ' ' TYR . 22.0 pt -89.11 5.73 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.839 0.352 . . . . 0.67000000000000004 110.927 176.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.08 34.52 12.59 Favored Glycine 0 CA--C 1.519 0.316 0 CA-C-N 115.913 -0.585 . . . . 0.62 114.473 172.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.437 ' HD1' HG13 ' A' ' 38' ' ' ILE . 50.3 m-85 -118.27 121.93 41.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 117.332 0.566 . . . . 0.70999999999999996 110.738 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -93.18 -174.57 3.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.396 -0.82 . . . . 1.9299999999999999 110.778 -176.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.1 p -56.26 -47.38 78.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.989 -0.551 . . . . 0.91000000000000003 111.544 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.5 tp -64.7 -51.05 64.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.15 -0.477 . . . . 1.3200000000000001 110.626 -176.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.29 80.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.845 0.355 . . . . 0.46999999999999997 110.566 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.0 tp -65.64 -45.81 81.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.101 -0.5 . . . . 0.75 110.975 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.8 ptm -68.89 -34.94 76.24 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.994 -0.283 . . . . 1.26 111.056 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.14 -36.46 83.18 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.867 0.365 . . . . 2.2000000000000002 110.514 175.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.426 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 50.3 m -63.01 -40.05 96.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.54000000000000004 110.562 175.653 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -56.55 -49.67 74.13 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.07 -0.514 . . . . 0.46000000000000002 111.063 176.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.12 -27.25 65.42 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.766 -0.652 . . . . 0.48999999999999999 111.516 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -76.18 -29.66 57.76 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.951 -0.568 . . . . 2.8599999999999999 110.2 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.8 mt -82.24 -39.41 23.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.085 -0.507 . . . . 0.56000000000000005 111.116 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 51.3 mt-10 -55.9 -57.89 10.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.758 -0.655 . . . . 0.51000000000000001 111.692 -176.507 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.2 p -68.88 -27.15 65.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.184 -0.462 . . . . 1.4199999999999999 111.97 -177.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -77.75 -44.0 29.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.192 -0.458 . . . . 2.4199999999999999 111.213 -174.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.557 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 90.1 m-85 -105.85 -2.09 23.48 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.815 0.302 . . . . 1.0800000000000001 111.815 -174.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.16 52.33 6.29 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.762 -0.732 . . . . 0.57999999999999996 113.055 176.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.472 HG23 ' HA ' ' A' ' 53' ' ' GLU . 2.5 m -132.88 -176.26 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.133 0.492 . . . . 0.45000000000000001 111.398 177.129 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.8 t -145.13 116.61 8.05 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.983 -1.117 . . . . 1.6200000000000001 107.983 177.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.484 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 91.4 mt -97.79 111.16 58.23 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-O 121.041 0.448 . . . . 0.59999999999999998 110.987 -172.189 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 5.7 Cg_exo -75.89 149.62 33.42 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.579 2.853 . . . . 0.81000000000000005 113.154 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.12 -51.47 69.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.382 -0.827 . . . . 1.99 111.858 -175.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -72.58 -29.63 63.69 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.906 -0.588 . . . . 2.4399999999999999 110.988 -171.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.737 HG12 HD21 ' A' ' 77' ' ' LEU . 43.8 t -78.35 -40.62 25.27 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 116.178 -0.464 . . . . 1.1399999999999999 110.311 178.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.75 -45.85 81.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.995 -0.548 . . . . 0.68000000000000005 111.624 -176.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.91 37.18 1.47 Allowed Glycine 0 CA--C 1.52 0.357 0 CA-C-N 115.811 -0.631 . . . . 0.77000000000000002 113.159 -175.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -133.39 6.47 3.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.964 0.411 . . . . 3.6299999999999999 110.577 177.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.506 HG21 HD23 ' A' ' 74' ' ' LEU . 34.6 m -93.53 -180.0 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.94999999999999996 109.823 174.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -145.05 -55.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.026 0.441 . . . . 1.75 109.966 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.9 p -108.43 159.47 30.66 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.942 -0.572 . . . . 0.5 110.854 177.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.647 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 87.9 Cg_exo -51.48 -33.28 46.62 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.237 2.625 . . . . 0.38 112.562 175.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -52.29 -53.62 41.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.946 -0.57 . . . . 3.5600000000000001 110.646 176.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -64.31 -44.0 92.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.328 -0.851 . . . . 2.4300000000000002 110.417 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.506 HD23 HG21 ' A' ' 68' ' ' VAL . 2.7 tm? -60.59 -47.2 87.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.543 -0.753 . . . . 1.22 110.709 -178.348 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 41.5 tp -58.06 -51.87 67.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.256 -0.429 . . . . 1.1200000000000001 110.952 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -64.92 -33.78 76.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.972 -0.558 . . . . 1.4299999999999999 111.424 -176.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.737 HD21 HG12 ' A' ' 64' ' ' VAL . 54.0 tp -61.37 -42.94 99.51 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.089 0.471 . . . . 1.6599999999999999 110.414 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 60.6 mt -79.48 -35.03 16.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.816 -0.629 . . . . 0.40999999999999998 110.433 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.408 HD22 ' HA ' ' A' ' 79' ' ' ASN . 9.1 m120 -57.87 -44.07 86.42 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.472 -0.331 . . . . 1.6699999999999999 110.522 175.384 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -54.82 -39.47 67.99 Favored Glycine 0 C--N 1.334 0.425 0 CA-C-N 115.998 -0.546 . . . . 0.54000000000000004 113.266 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.72 -42.52 58.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.257 0.551 . . . . 0.72999999999999998 111.14 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 34.1 mt -68.49 -27.88 66.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.92 -0.582 . . . . 0.87 111.048 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.216 -0.447 . . . . 1.05 112.065 179.429 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.95 0.405 . . . . 0.88 111.18 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.6 tp -84.17 127.65 34.06 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.189 -0.671 . . . . 1.0 109.189 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.1 p -110.28 176.47 5.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.872 0.368 . . . . 1.21 111.557 -176.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.494 HG23 HD11 ' A' ' 31' ' ' LEU . 17.7 m -58.13 -53.23 60.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.409 -0.814 . . . . 1.3 110.784 174.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.574 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 37.9 t70 -69.64 -37.97 76.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.021 -0.536 . . . . 2.1899999999999999 111.38 -174.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -62.81 -37.73 87.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.784 0.326 . . . . 1.1200000000000001 110.338 177.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.5 tp -63.02 -46.19 88.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.097 -0.501 . . . . 1.0800000000000001 109.675 173.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.41 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 40.4 ttm180 -54.28 -29.14 46.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.483 -0.78 . . . . 2.1699999999999999 111.647 177.038 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' A' ' 8' ' ' ASP . 2.9 mmp_? -80.0 -33.99 38.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.477 -0.329 . . . . 3.6600000000000001 111.19 -178.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.56 -38.0 85.88 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.952 0.353 . . . . 0.48999999999999999 111.952 -174.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.618 HD13 HG21 ' A' ' 48' ' ' THR . 3.6 mm? -62.92 -34.17 76.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.328 -0.396 . . . . 0.79000000000000004 110.597 179.5 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.3 t -80.74 -37.19 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.334 -0.394 . . . . 0.70999999999999996 110.425 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 46.5 mt-10 -60.1 -36.03 76.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.017 -0.538 . . . . 1.49 110.995 177.136 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.654 ' OG ' ' HA ' ' A' ' 48' ' ' THR . 8.5 m -86.24 -56.99 3.19 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.582 -0.735 . . . . 1.25 111.756 -177.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.424 0 CA-C-O 120.667 0.27 . . . . 1.6799999999999999 111.517 -175.281 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.8 mt . . . . . 0 C--O 1.234 0.237 0 CA-C-O 121.001 0.429 . . . . 1.6000000000000001 110.152 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 35.4 p -100.6 -26.59 13.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.144 -0.48 . . . . 2.0800000000000001 110.58 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.96 -164.28 29.29 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.871 -0.68 . . . . 1.8400000000000001 112.475 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -80.85 79.03 7.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.306 0.574 . . . . 2.77 111.221 -178.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -80.32 -32.93 37.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.898 -0.592 . . . . 0.92000000000000004 111.668 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.562 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 83.1 mt -55.17 -32.88 62.51 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.202 -0.454 . . . . 0.78000000000000003 111.472 178.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -95.51 18.65 12.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.597 -0.729 . . . . 2.29 110.915 -169.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.419 ' O ' ' HD2' ' A' ' 71' ' ' PRO . 97.2 mt -140.95 159.82 41.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.534 -0.913 . . . . 1.23 108.534 178.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 94.2 mtt180 -73.15 160.27 32.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.709 0.29 . . . . 2.8799999999999999 110.371 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -56.34 -40.05 73.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.14 0.495 . . . . 0.58999999999999997 110.243 172.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -64.17 -22.52 66.97 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.9 -0.591 . . . . 2.6000000000000001 111.675 177.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -81.62 -32.39 31.99 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.787 0.327 . . . . 2.0299999999999998 110.268 -177.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.489 HG13 ' HD2' ' A' ' 40' ' ' TYR . 14.9 pt -91.75 7.53 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.27 -0.423 . . . . 0.67000000000000004 111.564 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.53 49.62 6.57 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.921 -0.581 . . . . 0.62 114.039 172.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.524 ' CE1' HD12 ' A' ' 14' ' ' LEU . 40.7 m-85 -123.93 112.88 17.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.221 0.534 . . . . 0.70999999999999996 111.573 176.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.8 161.16 31.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.893 -1.048 . . . . 1.9299999999999999 110.979 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -47.43 68.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.806 -0.633 . . . . 0.91000000000000003 112.313 -179.06 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.584 ' O ' ' HG3' ' A' ' 46' ' ' MET . 57.7 tp -56.25 -53.98 50.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.511 -0.313 . . . . 1.3200000000000001 111.053 -178.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.03 -34.03 77.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.044 0.45 . . . . 0.46999999999999997 110.746 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.1 tp -65.48 -45.63 82.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.841 -0.618 . . . . 0.75 111.144 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.584 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 5.1 ppp? -70.61 -32.97 70.52 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.143 -0.223 . . . . 1.26 110.848 -177.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -64.13 -39.36 93.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.122 0.487 . . . . 2.2000000000000002 110.098 174.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.654 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 55.7 m -64.8 -37.16 86.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.677 -0.692 . . . . 0.54000000000000004 111.051 178.345 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.14 -39.16 74.64 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.229 -0.441 . . . . 0.46000000000000002 111.735 -178.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.22 -29.9 69.04 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.031 -0.531 . . . . 0.48999999999999999 110.585 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.535 ' HB2' ' O ' ' A' ' 48' ' ' THR . 25.3 mmt180 -61.71 -60.87 3.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.614 -0.721 . . . . 2.8599999999999999 110.701 177.466 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.45 -44.03 96.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.892 -0.594 . . . . 0.56000000000000005 111.156 -176.09 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.547 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 45.6 mt-10 -59.08 -57.5 12.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.51000000000000001 111.419 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.4 m -67.02 -31.87 72.7 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.812 0.301 . . . . 1.4199999999999999 111.812 -176.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -74.69 -45.95 41.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.466 -0.334 . . . . 2.4199999999999999 111.449 -175.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -100.0 -2.16 35.21 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.01 0.374 . . . . 1.0800000000000001 112.01 -175.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.98 39.65 37.47 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.739 -0.743 . . . . 0.57999999999999996 112.708 176.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.547 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 33.8 m -114.18 177.08 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.717 0.294 . . . . 0.45000000000000001 110.743 -179.025 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.413 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 50.3 m -141.51 118.03 10.91 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.024 -0.534 . . . . 1.6200000000000001 109.82 177.268 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.1 mt -94.78 108.63 38.87 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 109.565 -0.531 . . . . 0.59999999999999998 109.565 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 59' ' ' SER . 24.3 Cg_exo -62.99 139.84 75.8 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.6 2.2 . . . . 0.81000000000000005 111.802 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -61.36 -13.42 19.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.966 -0.561 . . . . 1.99 111.319 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -76.29 -60.59 2.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.099 -0.501 . . . . 2.4399999999999999 110.745 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.5 p -74.41 -15.76 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.25 0.548 . . . . 1.1399999999999999 111.233 -177.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.69 -30.29 70.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.912 -0.585 . . . . 0.68000000000000005 110.979 177.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.31 30.41 8.72 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.734 -0.746 . . . . 0.77000000000000002 112.01 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -130.93 -17.22 3.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.847 0.356 . . . . 3.6299999999999999 110.946 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.749 HG21 HD23 ' A' ' 74' ' ' LEU . 16.8 m -91.62 109.15 20.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.424 0.631 . . . . 0.94999999999999996 111.472 -176.419 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.402 ' O ' ' HA ' ' A' ' 34' ' ' ARG . 10.7 p-10 -92.89 -43.04 9.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 1.75 111.051 -178.099 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.535 ' OG1' ' HG2' ' A' ' 73' ' ' GLU . 75.5 p -102.33 146.85 33.08 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.749 0.309 . . . . 0.5 111.058 179.163 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.562 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 82.0 Cg_exo -51.37 -34.39 50.12 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.864 2.376 . . . . 0.38 111.548 170.145 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -54.34 -48.57 71.26 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.262 -0.426 . . . . 3.5600000000000001 110.702 174.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.535 ' HG2' ' OG1' ' A' ' 70' ' ' THR . 20.6 mm-40 -63.47 -44.92 93.02 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.217 0.532 . . . . 2.4300000000000002 110.164 179.101 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.749 HD23 HG21 ' A' ' 68' ' ' VAL . 2.3 tm? -61.48 -50.91 70.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.218 -0.901 . . . . 1.22 110.694 -177.531 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.3 tp -58.71 -48.83 79.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.858 -0.61 . . . . 1.1200000000000001 110.721 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -56.52 -42.01 77.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 1.4299999999999999 111.279 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.0 tp -61.37 -56.52 19.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.839 -0.619 . . . . 1.6599999999999999 111.183 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.9 mt -66.89 -44.29 88.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.058 -0.519 . . . . 0.40999999999999998 111.127 -176.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -61.03 -42.59 98.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.422 . . . . 1.6699999999999999 110.344 -177.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.82 -30.49 76.25 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 121.048 -0.596 . . . . 0.54000000000000004 112.653 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.87 -32.21 65.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.931 0.396 . . . . 0.72999999999999998 110.686 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.06 -23.14 63.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.095 -0.502 . . . . 0.87 111.022 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 1.05 111.239 179.262 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.516 0.198 . . . . 0.88 111.192 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.643 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 1.4 tt -79.96 128.45 33.48 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.943 -0.762 . . . . 1.0 108.943 -177.379 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 54.9 p -101.95 154.5 18.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.714 0.292 . . . . 1.21 110.602 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.7 m -57.97 -37.87 75.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.982 -0.554 . . . . 1.3 110.943 176.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -70.32 -40.18 74.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.292 -0.413 . . . . 2.1899999999999999 110.689 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.03 -41.73 97.12 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.1 0.476 . . . . 1.1200000000000001 110.387 174.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.426 HD12 HD13 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -58.73 -50.63 73.19 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.409 -0.814 . . . . 1.0800000000000001 109.743 177.092 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -55.49 -40.7 72.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.938 -0.574 . . . . 2.1699999999999999 111.236 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -62.54 -49.37 75.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.58 -0.282 . . . . 3.6600000000000001 110.947 176.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.67 -39.04 89.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.207 -0.451 . . . . 0.48999999999999999 111.959 -173.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.469 HD12 ' CZ ' ' A' ' 40' ' ' TYR . 3.8 mm? -60.26 -42.96 96.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.079 0.466 . . . . 0.79000000000000004 110.602 177.121 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.1 t -67.81 -51.64 48.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.869 -0.605 . . . . 0.70999999999999996 110.756 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -59.08 -30.15 67.87 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.903 -0.59 . . . . 1.49 111.794 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.504 ' HB2' ' HG3' ' A' ' 51' ' ' ARG . 9.9 t -84.75 -32.85 23.22 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.831 0.308 . . . . 1.25 111.831 -177.141 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HB2' ' HE1' ' A' ' 40' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.3 0 N-CA-C 112.362 0.504 . . . . 1.6799999999999999 112.362 -174.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 121.112 0.482 . . . . 1.6000000000000001 109.732 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.5 m -77.06 -4.78 46.01 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.695 -0.684 . . . . 2.0800000000000001 111.328 -176.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.38 -83.65 1.6 Allowed Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.135 -0.786 . . . . 1.8400000000000001 111.135 175.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -134.39 -177.58 4.66 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.21 -0.663 . . . . 2.77 109.21 174.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -167.94 -32.58 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.71 -0.223 . . . . 0.92000000000000004 110.791 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.834 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 95.2 mt -52.17 -35.95 50.28 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.81 0.67 . . . . 0.78000000000000003 112.81 -177.334 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -94.58 -13.82 25.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.817 0.341 . . . . 2.29 111.41 -173.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 98.0 mt -88.35 149.0 23.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.406 -0.361 . . . . 1.23 110.757 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.554 ' O ' HG12 ' A' ' 38' ' ' ILE . 42.2 mtp180 -74.43 143.62 44.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.673 -0.239 . . . . 2.8799999999999999 110.718 -177.44 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -54.39 -54.36 41.6 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.947 0.404 . . . . 0.58999999999999997 112.059 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.436 ' H ' ' HG3' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -63.62 -21.91 66.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.202 -0.453 . . . . 2.6000000000000001 112.09 -179.64 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -85.51 -27.03 25.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.927 0.394 . . . . 2.0299999999999998 110.935 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.558 HG13 ' HD2' ' A' ' 40' ' ' TYR . 19.2 pt -93.01 22.11 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.017 0.437 . . . . 0.67000000000000004 111.732 177.518 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.82 43.87 16.6 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.888 -0.596 . . . . 0.62 113.679 171.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.558 ' HD2' HG13 ' A' ' 38' ' ' ILE . 68.1 m-85 -126.82 114.04 17.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.1 0.476 . . . . 0.70999999999999996 110.686 175.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -71.89 163.85 27.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.534 -0.757 . . . . 1.9299999999999999 110.284 176.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.4 p -52.66 -45.37 66.7 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.991 -0.55 . . . . 0.91000000000000003 111.654 177.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.32 -43.79 98.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 1.3200000000000001 110.686 178.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.87 -32.69 74.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.22 0.533 . . . . 0.46999999999999997 110.957 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.1 tp -69.97 -43.45 71.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.648 -0.705 . . . . 0.75 111.297 -178.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.6 ptm -66.59 -29.47 69.53 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.975 0.417 . . . . 1.26 109.951 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -64.97 -41.51 95.38 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.936 -0.575 . . . . 2.2000000000000002 110.7 174.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.493 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 23.2 m -64.46 -38.44 91.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.998 -0.546 . . . . 0.54000000000000004 110.607 179.091 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.9 -44.02 86.53 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.186 -0.461 . . . . 0.46000000000000002 110.91 176.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.93 75.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.871 -0.604 . . . . 0.48999999999999999 110.418 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.504 ' HG3' ' HB2' ' A' ' 17' ' ' SER . 14.6 mmt180 -59.31 -42.77 92.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.46 -0.791 . . . . 2.8599999999999999 110.878 177.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.58 HD22 HD11 ' A' ' 5' ' ' LEU . 91.5 mt -72.16 -47.78 48.32 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.819 -0.628 . . . . 0.56000000000000005 111.074 -177.13 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -61.59 -42.33 98.71 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.275 -0.421 . . . . 0.51000000000000001 111.561 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.9 m -67.21 -25.77 66.28 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.236 0.458 . . . . 1.4199999999999999 112.236 -177.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -85.13 -46.09 11.44 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.966 -0.294 . . . . 2.4199999999999999 111.405 -177.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.643 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 97.8 m-85 -95.6 -19.55 19.67 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.054 0.39 . . . . 1.0800000000000001 112.054 -175.196 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.38 38.52 45.15 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.65 -0.786 . . . . 0.57999999999999996 111.871 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.6 HG12 HD21 ' A' ' 82' ' ' LEU . 28.5 m -97.68 -176.43 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.89 0.376 . . . . 0.45000000000000001 111.208 -175.723 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.3 p -132.01 107.09 8.44 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.859 -0.609 . . . . 1.6200000000000001 110.279 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.2 mt -90.67 110.91 44.75 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.068 -0.514 . . . . 0.59999999999999998 109.954 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.89 119.33 6.33 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.728 2.285 . . . . 0.81000000000000005 111.398 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -65.26 -4.46 5.32 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.265 -0.425 . . . . 1.99 111.893 -175.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -73.1 -68.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.204 0.526 . . . . 2.4399999999999999 110.13 177.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 20.0 t -76.1 -17.04 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.605 -0.725 . . . . 1.1399999999999999 110.979 -177.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.499 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -61.74 -33.21 73.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.68000000000000005 111.247 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -82.98 28.78 3.55 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.621 -0.799 . . . . 0.77000000000000002 112.626 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -137.4 4.03 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.679 0.239 . . . . 3.6299999999999999 111.226 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.608 HG21 HD23 ' A' ' 74' ' ' LEU . 16.5 m -94.77 110.61 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.47 0.652 . . . . 0.94999999999999996 110.759 178.051 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -90.84 -38.16 13.13 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.681 -0.69 . . . . 1.75 111.314 -174.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.9 p -115.41 150.62 44.86 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.08 -0.509 . . . . 0.5 110.885 -179.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.834 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 77.0 Cg_exo -54.66 -26.68 47.63 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.202 2.602 . . . . 0.38 112.727 175.57 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -54.44 -56.02 22.9 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.159 0.504 . . . . 3.5600000000000001 110.178 174.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -62.91 -41.31 99.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.321 -0.854 . . . . 2.4300000000000002 110.399 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.608 HD23 HG21 ' A' ' 68' ' ' VAL . 2.5 tm? -55.89 -53.97 50.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.875 -0.602 . . . . 1.22 110.439 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.426 HD13 HD12 ' A' ' 10' ' ' LEU . 58.7 tp -59.69 -52.51 65.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.917 -0.583 . . . . 1.1200000000000001 111.206 179.312 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.67 -35.71 78.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.965 -0.561 . . . . 1.4299999999999999 111.434 -175.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.43 -50.32 73.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.986 0.422 . . . . 1.6599999999999999 110.047 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 79.2 mt -70.28 -37.0 69.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.158 -0.474 . . . . 0.40999999999999998 110.653 -178.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.408 ' ND2' ' HG ' ' A' ' 75' ' ' LEU . 87.8 m-20 -61.37 -43.46 98.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.601 -0.272 . . . . 1.6699999999999999 110.776 175.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.73 -36.77 93.21 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.372 -0.442 . . . . 0.54000000000000004 112.644 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.41 -45.24 66.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.069 0.461 . . . . 0.72999999999999998 110.917 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.6 HD21 HG12 ' A' ' 58' ' ' VAL . 77.5 mt -70.55 -32.23 69.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.95 -0.568 . . . . 0.87 111.504 -178.005 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.305 -0.407 . . . . 1.05 111.808 -176.798 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 63.4 mt . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 109.637 -0.505 . . . . 0.88 109.637 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.614 HD11 HD22 ' A' ' 52' ' ' LEU . 1.6 tt -80.73 123.5 28.25 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.371 -0.974 . . . . 1.0 108.371 178.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.449 ' H ' ' HB2' ' A' ' 9' ' ' ASP . 47.7 p -122.78 -178.21 3.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 1.21 111.756 -176.573 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.9 m -58.06 -55.93 28.59 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.714 -0.675 . . . . 1.3 111.216 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.447 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 36.0 t70 -61.97 -35.63 79.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.828 -0.624 . . . . 2.1899999999999999 110.858 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.449 ' HB2' ' H ' ' A' ' 6' ' ' THR . 22.0 m-20 -65.3 -45.24 85.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.313 -0.403 . . . . 1.1200000000000001 110.89 177.002 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.419 HD21 ' HB3' ' A' ' 71' ' ' PRO . 43.1 tp -62.28 -36.8 83.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.111 0.482 . . . . 1.0800000000000001 109.874 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.447 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 40.3 ttm180 -54.21 -25.94 25.72 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.327 -0.851 . . . . 2.1699999999999999 111.674 177.391 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.891 ' HE ' ' HA ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -80.82 -44.67 18.11 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.715 0.265 . . . . 3.6600000000000001 111.715 -179.045 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.26 86.83 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 112.369 0.507 . . . . 0.48999999999999999 112.369 -171.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.532 HD13 HG21 ' A' ' 48' ' ' THR . 4.0 mm? -64.21 -32.63 74.28 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.389 0.614 . . . . 0.79000000000000004 110.646 178.467 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 90.4 t -79.22 -37.33 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.818 -0.628 . . . . 0.70999999999999996 110.724 -178.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 52.5 mt-10 -57.1 -46.82 82.28 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.056 0.455 . . . . 1.49 111.303 178.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 p -87.19 -42.38 13.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.452 -0.795 . . . . 1.25 112.84 -171.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB3' ' HE1' ' A' ' 40' ' ' TYR . . . . . . . . 0 C--N 1.328 -0.329 0 N-CA-C 113.366 0.876 . . . . 1.6799999999999999 113.366 -169.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.2 tp . . . . . 0 CA--C 1.534 0.329 0 CA-C-O 121.138 0.494 . . . . 1.6000000000000001 111.201 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.7 m -86.95 81.18 8.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.11 0.481 . . . . 2.0800000000000001 110.852 -175.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -172.52 -157.76 15.13 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.542 -0.623 . . . . 1.8400000000000001 111.542 178.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -81.54 81.63 7.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.924 0.869 . . . . 2.77 110.366 178.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -79.98 -17.37 53.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.192 -0.913 . . . . 0.92000000000000004 111.997 -174.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.548 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 52.7 mt -54.21 -41.26 68.43 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.565 0.58 . . . . 0.78000000000000003 112.565 -175.44 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -98.5 4.07 48.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.011 0.434 . . . . 2.29 111.284 -176.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.9 mt -92.79 137.1 32.66 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.275 -0.639 . . . . 1.23 109.275 173.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -71.7 152.24 42.96 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.644 -0.422 . . . . 2.8799999999999999 110.664 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -55.86 -34.9 65.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.326 0.584 . . . . 0.58999999999999997 109.563 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -58.05 -31.97 67.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 114.899 -1.046 . . . . 2.6000000000000001 111.611 175.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -83.62 -39.33 20.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.922 0.391 . . . . 2.0299999999999998 110.656 -174.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.475 HG13 ' HD2' ' A' ' 40' ' ' TYR . 17.1 pt -89.0 14.9 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.0 -0.545 . . . . 0.67000000000000004 112.193 -175.534 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.03 31.17 66.94 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 121.378 -0.439 . . . . 0.62 113.796 174.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.475 ' HD2' HG13 ' A' ' 38' ' ' ILE . 51.7 m-85 -113.41 106.95 15.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.142 0.496 . . . . 0.70999999999999996 110.411 177.094 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -86.7 179.63 6.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.575 -0.738 . . . . 1.9299999999999999 111.594 -177.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.6 p -50.28 -57.85 6.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.919 -1.037 . . . . 0.91000000000000003 112.71 -177.002 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.2 tp -58.71 -47.82 83.23 Favored 'General case' 0 C--N 1.334 -0.07 0 CA-C-N 116.412 -0.358 . . . . 1.3200000000000001 111.217 -176.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.46 -39.53 93.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.046 0.451 . . . . 0.46999999999999997 110.778 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.1 tp -64.88 -42.27 94.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.821 -0.627 . . . . 0.75 111.398 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.7 ptm -69.39 -30.18 68.09 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.25 -0.58 . . . . 1.26 110.792 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.9 -43.64 82.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.851 0.358 . . . . 2.2000000000000002 110.082 174.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.532 HG21 HD13 ' A' ' 14' ' ' LEU . 53.9 m -63.32 -37.83 88.78 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.238 -0.437 . . . . 0.54000000000000004 110.814 175.462 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.72 -39.92 71.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.46000000000000002 111.619 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.28 -31.69 71.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.257 0.551 . . . . 0.48999999999999999 110.514 -178.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -64.57 -44.53 90.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.111 -0.949 . . . . 2.8599999999999999 110.313 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.614 HD22 HD11 ' A' ' 5' ' ' LEU . 76.1 mt -66.92 -46.57 74.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.56000000000000005 110.566 -177.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.552 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 63.4 mt-10 -59.81 -53.28 59.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.51000000000000001 110.646 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.7 t -63.41 -39.44 94.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.985 -0.552 . . . . 1.4199999999999999 111.717 -175.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 55' ' ' ARG . 39.5 ttt180 -67.64 -44.77 77.15 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.722 0.267 . . . . 2.4199999999999999 111.722 -175.488 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.475 ' CE1' ' HG ' ' A' ' 5' ' ' LEU . 88.6 m-85 -95.51 -20.24 19.18 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.959 0.355 . . . . 1.0800000000000001 111.959 -174.029 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.22 36.54 10.83 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.402 -0.904 . . . . 0.57999999999999996 111.772 -177.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.552 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 33.8 m -107.87 -170.32 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.637 0.256 . . . . 0.45000000000000001 111.101 -178.546 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.6 t -156.23 127.54 7.09 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.118 -0.697 . . . . 1.6200000000000001 109.118 177.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.3 mt -96.7 122.31 57.34 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.173 -0.467 . . . . 0.59999999999999998 110.626 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -58.02 128.11 27.59 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.814 2.343 . . . . 0.81000000000000005 111.621 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -64.89 -11.47 38.13 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.354 0.502 . . . . 1.99 112.354 -175.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -78.62 -44.91 22.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.267 0.556 . . . . 2.4399999999999999 110.158 173.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.505 HG11 ' HG ' ' A' ' 77' ' ' LEU . 21.5 t -74.79 -19.37 16.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.788 -0.642 . . . . 1.1399999999999999 111.169 -175.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.66 -30.09 67.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 0.68000000000000005 111.326 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -106.45 19.65 36.33 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.486 -0.864 . . . . 0.77000000000000002 112.303 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -105.34 -19.81 13.68 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.924 0.342 . . . . 3.6299999999999999 111.924 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 28.3 m -89.89 171.71 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.829 -0.348 . . . . 0.94999999999999996 111.697 -174.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -144.64 -31.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.804 -0.635 . . . . 1.75 110.45 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.5 p -127.72 149.75 71.29 Favored Pre-proline 0 C--O 1.238 0.481 0 CA-C-N 115.683 -0.689 . . . . 0.5 111.18 -177.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.548 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 72.7 Cg_exo -52.48 -42.49 61.11 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.259 2.64 . . . . 0.38 112.805 176.33 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -54.1 -51.86 62.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 3.5600000000000001 111.052 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -65.84 -43.62 87.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.02 -0.536 . . . . 2.4300000000000002 110.998 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.9 tt -57.06 -44.59 83.15 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.017 -0.538 . . . . 1.22 110.012 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.517 ' HG ' ' OD1' ' A' ' 79' ' ' ASN . 27.9 tp -55.77 -41.19 73.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.497 -0.774 . . . . 1.1200000000000001 111.52 -177.129 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -60.04 -33.74 72.45 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.122 -0.49 . . . . 1.4299999999999999 111.447 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.505 ' HG ' HG11 ' A' ' 64' ' ' VAL . 4.4 mm? -63.48 -45.26 91.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.502 -0.317 . . . . 1.6599999999999999 111.251 -178.348 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 24.5 mt -78.73 -37.21 20.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.549 -0.296 . . . . 0.40999999999999998 110.446 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.517 ' OD1' ' HG ' ' A' ' 75' ' ' LEU . 9.1 m120 -61.25 -46.39 90.57 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.667 0.27 . . . . 1.6699999999999999 110.692 177.027 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.67 -38.94 96.72 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.193 -0.527 . . . . 0.54000000000000004 112.446 -177.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.92 -33.98 72.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.99 0.424 . . . . 0.72999999999999998 111.056 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.6 mt -75.75 -34.08 60.26 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.824 -0.626 . . . . 0.87 110.949 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.27 -0.423 . . . . 1.05 111.611 -178.42 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 68.0 mt . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.697 0.284 . . . . 0.88 110.747 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.593 HD11 HD22 ' A' ' 52' ' ' LEU . 2.2 tt -83.33 121.83 27.66 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.165 -1.05 . . . . 1.0 108.165 174.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.8 p -121.96 -179.16 4.05 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.357 -0.537 . . . . 1.21 111.373 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.5 m -58.12 -34.43 70.21 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.357 -0.383 . . . . 1.3 111.186 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -68.92 -42.49 76.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.982 0.42 . . . . 2.1899999999999999 110.585 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -63.14 -45.56 91.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.806 -0.633 . . . . 1.1200000000000001 110.136 177.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.6 tp -61.84 -40.1 94.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.469 -0.787 . . . . 1.0800000000000001 110.281 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 11' ' ' ARG . 16.8 ttp180 -53.27 -40.19 64.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.927 -0.579 . . . . 2.1699999999999999 111.227 178.627 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -77.3 -37.81 51.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.642 -0.254 . . . . 3.6600000000000001 111.368 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.48 -35.51 76.07 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.164 0.431 . . . . 0.48999999999999999 112.164 -174.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.402 HD12 ' CE1' ' A' ' 40' ' ' TYR . 4.4 mm? -73.79 -26.49 60.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.942 0.401 . . . . 0.79000000000000004 110.995 179.193 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.4 t -86.28 -24.81 6.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.953 0.406 . . . . 0.70999999999999996 111.013 -178.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -85.5 -20.31 29.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.876 0.37 . . . . 1.49 110.893 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.468 ' HB3' ' HG3' ' A' ' 51' ' ' ARG . 11.6 p -88.93 -63.51 1.28 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.23 -0.441 . . . . 1.25 111.056 177.044 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 1.6799999999999999 110.532 179.584 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 N--CA 1.461 0.099 0 CA-C-O 121.233 0.539 . . . . 1.6000000000000001 109.556 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 t -102.87 29.91 5.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.848 -0.615 . . . . 2.0800000000000001 109.99 -177.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -151.85 -152.17 5.84 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.735 -0.666 . . . . 1.8400000000000001 111.843 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.2 82.53 2.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.526 0.203 . . . . 2.77 110.692 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -107.61 -9.66 15.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.658 0.266 . . . . 0.92000000000000004 110.829 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.677 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 93.3 mt -54.42 -25.13 22.99 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 112.572 0.582 . . . . 0.78000000000000003 112.572 -178.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -93.61 -18.17 22.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.976 0.417 . . . . 2.29 111.724 -171.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.8 mt -92.03 158.17 16.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.333 -0.394 . . . . 1.23 110.776 -177.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -71.83 142.19 49.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.489 0.185 . . . . 2.8799999999999999 111.353 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -53.62 -53.8 46.66 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.152 -0.476 . . . . 0.58999999999999997 110.928 174.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -60.17 -23.95 64.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.484 -0.78 . . . . 2.6000000000000001 111.684 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -83.9 -28.43 27.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.326 -0.397 . . . . 2.0299999999999998 111.102 -173.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.504 HG13 ' HD2' ' A' ' 40' ' ' TYR . 29.7 pt -90.19 18.05 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.06 0.457 . . . . 0.67000000000000004 111.467 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.99 39.52 4.56 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 120.99 -0.624 . . . . 0.62 113.723 172.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.504 ' HD2' HG13 ' A' ' 38' ' ' ILE . 64.3 m-85 -125.4 160.18 30.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.121 0.46 . . . . 0.70999999999999996 110.886 177.474 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -123.31 159.73 28.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.516 -0.765 . . . . 1.9299999999999999 109.071 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.67 -41.58 43.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.588 0.555 . . . . 0.91000000000000003 111.665 175.153 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.559 ' O ' ' HG3' ' A' ' 46' ' ' MET . 60.7 tp -57.78 -57.33 13.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 1.3200000000000001 111.128 177.726 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.63 -36.84 84.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.764 0.316 . . . . 0.46999999999999997 111.049 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.5 tp -62.26 -49.01 77.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.203 -0.453 . . . . 0.75 111.088 -178.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.559 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 5.0 ppp? -67.18 -35.92 80.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.628 -0.26 . . . . 1.26 111.1 -178.084 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -65.29 -35.12 80.05 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.885 0.374 . . . . 2.2000000000000002 110.622 176.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 57.6 m -64.5 -34.32 77.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.262 -0.426 . . . . 0.54000000000000004 111.392 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.2 -42.35 77.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.941 0.4 . . . . 0.46000000000000002 111.223 -178.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.62 -27.08 68.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.847 -0.615 . . . . 0.48999999999999999 110.794 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.854 ' HE ' ' HA ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -71.04 -37.58 72.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.74 -0.664 . . . . 2.8599999999999999 110.687 -179.599 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.593 HD22 HD11 ' A' ' 5' ' ' LEU . 88.4 mt -71.43 -48.1 51.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.044 0.45 . . . . 0.56000000000000005 110.253 178.107 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.582 ' HA ' HG22 ' A' ' 58' ' ' VAL . 41.9 mt-10 -59.66 -45.27 92.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.399 -0.819 . . . . 0.51000000000000001 111.494 -177.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.8 p -64.92 -33.37 75.87 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.278 0.473 . . . . 1.4199999999999999 112.278 -178.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -71.6 -46.69 58.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.342 . . . . 2.4199999999999999 111.667 -177.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -97.72 -17.32 19.48 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.899 0.333 . . . . 1.0800000000000001 111.899 -172.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.48 40.63 12.61 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.522 -0.847 . . . . 0.57999999999999996 111.724 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.582 HG22 ' HA ' ' A' ' 53' ' ' GLU . 34.9 m -108.85 -170.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.45000000000000001 111.418 -177.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.499 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 64.6 m -153.05 130.36 11.29 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.916 -0.584 . . . . 1.6200000000000001 109.513 175.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.496 HG22 ' HB2' ' A' ' 65' ' ' ALA . 60.0 mt -95.06 119.49 65.72 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.554 -0.294 . . . . 0.59999999999999998 110.703 -178.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 19.4 Cg_exo -66.44 140.73 58.78 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.989 2.459 . . . . 0.81000000000000005 112.674 -177.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -58.62 -27.05 64.34 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.603 -0.726 . . . . 1.99 112.388 -176.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 4.5 m-20 -74.75 -60.79 2.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.736 0.303 . . . . 2.4399999999999999 111.271 -175.315 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.901 HG11 ' HG ' ' A' ' 77' ' ' LEU . 5.4 t -72.9 -23.43 20.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.941 -0.304 . . . . 1.1399999999999999 111.487 -173.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.496 ' HB2' HG22 ' A' ' 60' ' ' ILE . . . -60.13 -38.51 83.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.085 0.469 . . . . 0.68000000000000005 111.651 -177.345 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -91.3 -0.71 73.15 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.598 -0.81 . . . . 0.77000000000000002 112.559 -177.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 92.9 mtt180 -102.26 1.49 35.88 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 121.062 -0.255 . . . . 3.6299999999999999 111.669 -177.36 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.9 m -87.68 168.38 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.593 -0.443 . . . . 0.94999999999999996 110.587 178.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -149.48 -50.27 0.14 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.48 0.657 . . . . 1.75 109.624 -177.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 34.8 p -105.38 149.9 38.31 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 114.942 -1.026 . . . . 0.5 111.009 176.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.677 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 53.2 Cg_exo -56.8 -32.68 92.42 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.467 2.778 . . . . 0.38 112.609 177.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.456 ' HD3' ' C ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -56.11 -51.78 66.68 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.281 0.363 . . . . 3.5600000000000001 110.254 179.507 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.407 ' HG2' ' OG1' ' A' ' 70' ' ' THR . 10.2 mm-40 -66.9 -41.67 86.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.353 -0.385 . . . . 2.4300000000000002 110.834 -177.239 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.1 tp -57.0 -53.37 58.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.064 -0.516 . . . . 1.22 110.273 176.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.0 tp -58.28 -48.02 81.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.778 -0.646 . . . . 1.1200000000000001 110.74 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -57.63 -46.3 84.31 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.12 -0.491 . . . . 1.4299999999999999 111.273 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.901 ' HG ' HG11 ' A' ' 64' ' ' VAL . 3.1 tm? -62.55 -45.36 93.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.231 -0.441 . . . . 1.6599999999999999 110.135 -179.016 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.417 ' O ' HD23 ' A' ' 82' ' ' LEU . 62.0 mt -67.98 -34.84 69.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.40999999999999998 110.361 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.6 -41.57 98.32 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.677 0.275 . . . . 1.6699999999999999 110.742 175.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -60.75 -34.1 85.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.169 -0.539 . . . . 0.54000000000000004 112.094 176.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.2 -47.29 44.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.618 0.247 . . . . 0.72999999999999998 110.56 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 78' ' ' ILE . 2.7 mm? -62.52 -32.42 73.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.87 111.326 178.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.324 -0.398 . . . . 1.05 110.826 175.905 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.1 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.659 0.266 . . . . 0.88 110.504 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.494 HD11 HD13 ' A' ' 52' ' ' LEU . 3.5 tt -83.28 123.32 29.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.759 -0.83 . . . . 1.0 108.759 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.2 p -120.04 -174.41 2.76 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.555 -0.458 . . . . 1.21 112.196 -178.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.522 HG22 HD11 ' A' ' 31' ' ' LEU . 1.6 p -55.81 -56.53 19.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.496 -0.775 . . . . 1.3 111.833 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.89 -38.76 79.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.85 -1.068 . . . . 2.1899999999999999 110.689 -178.127 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -64.33 -44.97 89.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.641 -0.708 . . . . 1.1200000000000001 111.175 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.565 HD11 ' HB3' ' A' ' 71' ' ' PRO . 0.9 OUTLIER -54.99 -50.19 69.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.592 -0.731 . . . . 1.0800000000000001 109.632 -178.637 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -52.84 -42.44 65.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.419 -0.809 . . . . 2.1699999999999999 111.382 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 -63.47 -40.47 97.21 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 115.805 -0.634 . . . . 3.6600000000000001 111.755 -177.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.468 ' HB2' HD21 ' A' ' 52' ' ' LEU . . . -60.01 -37.72 80.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.744 0.307 . . . . 0.48999999999999999 110.685 -175.23 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.3 mm? -65.7 -48.37 72.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.976 -0.556 . . . . 0.79000000000000004 110.933 178.051 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.4 t -67.86 -49.48 68.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.08 -0.509 . . . . 0.70999999999999996 111.429 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -63.02 -23.84 67.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.376 -0.375 . . . . 1.49 111.433 -177.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.2 t -82.62 -62.9 1.48 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.559 -0.291 . . . . 1.25 110.851 178.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.304 -0.407 . . . . 1.6799999999999999 111.319 -174.456 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.431 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 39.6 tp . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 121.065 0.46 . . . . 1.6000000000000001 110.771 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.8 t -82.04 -1.21 47.67 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.186 0.517 . . . . 2.0800000000000001 110.89 -176.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 171.52 -46.56 0.18 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.611 -0.804 . . . . 1.8400000000000001 112.004 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.49 99.01 11.96 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.741 -0.466 . . . . 2.77 109.741 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -148.07 -31.74 0.28 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.241 0.46 . . . . 0.92000000000000004 112.241 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.639 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 72.0 mt -55.62 -27.58 50.4 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.584 0.587 . . . . 0.78000000000000003 112.584 -178.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -92.21 -19.13 22.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.636 0.255 . . . . 2.29 111.58 -173.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -89.05 143.07 27.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.461 -0.336 . . . . 1.23 110.386 -176.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -70.77 145.53 50.36 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.595 -0.52 . . . . 2.8799999999999999 109.595 177.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -52.54 -40.87 62.98 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.976 0.417 . . . . 0.58999999999999997 111.434 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -60.03 -33.09 71.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.884 -0.598 . . . . 2.6000000000000001 111.107 178.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -84.66 -23.94 29.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.818 -0.628 . . . . 2.0299999999999998 110.339 -170.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.497 HG13 ' HD1' ' A' ' 40' ' ' TYR . 21.3 pt -90.85 9.4 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.67000000000000004 110.869 176.068 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.86 26.21 35.53 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.928 -0.653 . . . . 0.62 114.378 170.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.497 ' HD1' HG13 ' A' ' 38' ' ' ILE . 59.3 m-85 -105.11 115.0 29.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 117.835 0.817 . . . . 0.70999999999999996 111.016 178.003 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.2 179.62 7.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.947 -1.024 . . . . 1.9299999999999999 111.292 -175.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 63.7 p -50.78 -60.42 3.07 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.368 -0.833 . . . . 0.91000000000000003 111.657 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' ' HG3' ' A' ' 46' ' ' MET . 58.3 tp -53.38 -51.01 63.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.454 -0.794 . . . . 1.3200000000000001 111.434 -179.284 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.87 97.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.118 -0.492 . . . . 0.46999999999999997 111.464 -175.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.4 tp -68.21 -43.22 78.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.163 -0.472 . . . . 0.75 111.599 -176.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.434 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 4.7 ppp? -70.66 -31.75 68.78 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.762 -0.375 . . . . 1.26 111.07 -176.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -66.44 -37.14 84.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.054 0.454 . . . . 2.2000000000000002 110.661 173.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.499 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 37.7 m -61.62 -39.12 90.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.724 -0.671 . . . . 0.54000000000000004 110.715 178.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.44 -48.24 79.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.46000000000000002 110.922 177.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.38 -30.3 70.45 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.893 -0.594 . . . . 0.48999999999999999 110.718 -177.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.499 ' HB2' ' O ' ' A' ' 48' ' ' THR . 23.1 mmm180 -58.48 -55.16 38.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.754 -0.657 . . . . 2.8599999999999999 110.81 176.506 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.494 HD13 HD11 ' A' ' 5' ' ' LEU . 90.2 mt -64.58 -43.0 95.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.462 -0.335 . . . . 0.56000000000000005 111.152 -176.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.61 ' HA ' HG22 ' A' ' 58' ' ' VAL . 46.9 mt-10 -58.02 -56.48 21.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.51000000000000001 110.891 -178.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.8 m -67.75 -27.25 66.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.008 -0.542 . . . . 1.4199999999999999 111.695 -177.102 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 51' ' ' ARG . 33.0 ttt180 -72.16 -46.89 54.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 2.4199999999999999 111.419 -175.374 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -94.24 -21.5 19.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.556 -0.293 . . . . 1.0800000000000001 111.433 -177.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.13 47.93 3.71 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.707 -0.758 . . . . 0.57999999999999996 111.355 -175.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.61 HG22 ' HA ' ' A' ' 53' ' ' GLU . 17.9 m -124.41 -171.55 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.767 0.317 . . . . 0.45000000000000001 110.652 -178.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.8 m -151.57 132.77 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.555 -0.535 . . . . 1.6200000000000001 109.555 174.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 67.5 mt -94.59 124.64 54.46 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 110.257 -0.275 . . . . 0.59999999999999998 110.257 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.503 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 50.9 Cg_exo -55.42 133.39 57.83 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.925 2.416 . . . . 0.81000000000000005 111.967 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.2 -53.1 58.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.675 -0.693 . . . . 1.99 112.319 -171.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -79.91 -31.13 40.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.785 0.326 . . . . 2.4399999999999999 111.738 -174.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.503 ' HB ' ' HB2' ' A' ' 61' ' ' PRO . 30.7 t -74.65 -18.86 16.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.983 0.42 . . . . 1.1399999999999999 110.555 -178.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.45 -29.56 70.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.167 0.508 . . . . 0.68000000000000005 111.16 178.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.81 20.2 40.55 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.091 -0.576 . . . . 0.77000000000000002 112.395 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.421 ' HA ' ' NE ' ' A' ' 67' ' ' ARG . 4.6 mmp_? -117.66 26.87 9.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.593 0.235 . . . . 3.6299999999999999 110.746 -178.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.762 HG21 HD23 ' A' ' 74' ' ' LEU . 13.8 m -136.3 107.36 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.321 0.582 . . . . 0.94999999999999996 110.951 -178.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -91.89 -42.07 10.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 1.75 111.181 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.443 ' OG1' ' HG2' ' A' ' 73' ' ' GLU . 69.9 p -105.87 142.68 25.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.318 -0.401 . . . . 0.5 110.952 -179.147 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.639 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 86.9 Cg_exo -52.33 -33.46 55.94 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 123.291 2.661 . . . . 0.38 112.883 177.099 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -53.99 -52.98 59.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.368 -0.378 . . . . 3.5600000000000001 111.021 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.443 ' HG2' ' OG1' ' A' ' 70' ' ' THR . 20.4 mm-40 -67.23 -40.98 86.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.779 -0.646 . . . . 2.4300000000000002 110.448 -178.321 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.762 HD23 HG21 ' A' ' 68' ' ' VAL . 3.2 tm? -59.16 -45.52 90.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 1.22 110.097 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 tt -57.99 -46.08 85.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.764 -0.653 . . . . 1.1200000000000001 110.366 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -67.25 -37.7 83.95 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.069 -0.514 . . . . 1.4299999999999999 111.034 -178.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.92 -48.44 81.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.19 -0.459 . . . . 1.6599999999999999 111.016 -178.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.4 mt -68.26 -38.0 78.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.258 -0.428 . . . . 0.40999999999999998 110.641 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -63.78 -38.39 90.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.446 -0.343 . . . . 1.6699999999999999 110.797 177.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.74 -35.12 91.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.261 -0.495 . . . . 0.54000000000000004 112.365 178.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.4 -27.82 62.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.72999999999999998 110.598 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.6 mt -78.57 -39.33 37.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.269 -0.423 . . . . 0.87 110.365 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.169 0 CA-C-N 115.972 -0.558 . . . . 1.05 111.046 178.768 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.8 mt . . . . . 0 CA--C 1.521 -0.166 0 N-CA-C 110.264 -0.273 . . . . 0.88 110.264 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.632 HD11 HD13 ' A' ' 52' ' ' LEU . 6.5 tt -90.61 122.09 33.1 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.707 -0.849 . . . . 1.0 108.707 175.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.2 t -114.79 169.82 8.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.016 0.436 . . . . 1.21 111.269 -178.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -56.82 -39.62 74.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.483 -0.781 . . . . 1.3 112.019 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -60.53 -45.99 91.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.861 -0.609 . . . . 2.1899999999999999 110.605 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -65.1 -38.95 92.34 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.903 -0.59 . . . . 1.1200000000000001 111.229 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.465 HD21 ' HB3' ' A' ' 71' ' ' PRO . 20.5 tp -60.67 -45.75 92.96 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.318 -0.401 . . . . 1.0800000000000001 110.068 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -56.46 -49.72 73.8 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.137 -0.483 . . . . 2.1699999999999999 111.855 178.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -71.43 -30.28 65.88 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.832 0.308 . . . . 3.6600000000000001 111.832 -176.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.48 -36.6 80.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.606 -0.27 . . . . 0.48999999999999999 111.633 -174.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.537 HD13 HG21 ' A' ' 48' ' ' THR . 4.4 mm? -66.27 -27.32 67.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.158 0.504 . . . . 0.79000000000000004 110.904 179.021 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.7 t -86.72 -32.93 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.071 -0.513 . . . . 0.70999999999999996 110.566 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -78.21 -12.71 60.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.735 -0.666 . . . . 1.49 111.671 -178.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.533 ' HB3' ' HA ' ' A' ' 48' ' ' THR . 13.8 p -85.09 -62.3 1.57 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.784 0.326 . . . . 1.25 110.831 175.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 1.6799999999999999 111.576 -177.8 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 CA--C 1.519 -0.219 0 N-CA-C 108.996 -0.742 . . . . 1.6000000000000001 108.996 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 p -98.76 18.26 17.4 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.853 -1.067 . . . . 2.0800000000000001 112.578 -172.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 173.04 133.86 1.73 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 119.545 -1.312 . . . . 1.8400000000000001 113.592 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 55.12 29.15 12.02 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.193 0.812 . . . . 2.77 113.193 172.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -83.55 -20.8 33.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.474 -0.33 . . . . 0.92000000000000004 111.207 -175.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.577 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 44.8 mt -58.37 -28.01 64.75 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.188 0.44 . . . . 0.78000000000000003 112.188 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -93.49 -18.69 22.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.233 0.539 . . . . 2.29 110.781 -176.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.5 mt -85.24 132.43 34.27 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.937 -0.574 . . . . 1.23 109.922 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -69.0 154.39 42.15 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.098 -0.334 . . . . 2.8799999999999999 110.098 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.408 ' HA ' HG12 ' A' ' 38' ' ' ILE . 55.7 m-85 -53.76 -26.29 22.85 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.209 0.528 . . . . 0.58999999999999997 110.886 176.512 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -58.49 -36.77 74.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.318 -0.856 . . . . 2.6000000000000001 111.955 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -85.26 -27.46 26.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.895 0.379 . . . . 2.0299999999999998 111.093 -173.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.456 HG13 ' HD2' ' A' ' 40' ' ' TYR . 23.7 pt -90.29 11.07 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.436 -0.347 . . . . 0.67000000000000004 111.479 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.12 49.5 57.48 Favored Glycine 0 C--N 1.332 0.352 0 CA-C-N 116.01 -0.541 . . . . 0.62 113.82 172.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.466 ' OH ' ' HB3' ' A' ' 14' ' ' LEU . 37.1 m-85 -121.49 123.64 42.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.283 0.542 . . . . 0.70999999999999996 111.841 176.71 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -80.36 164.11 23.37 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.305 -0.861 . . . . 1.9299999999999999 111.472 177.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.3 p -52.06 -51.39 57.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.993 -1.003 . . . . 0.91000000000000003 112.22 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.535 ' O ' ' HG2' ' A' ' 46' ' ' MET . 31.3 tp -57.69 -50.55 72.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.646 -0.706 . . . . 1.3200000000000001 111.316 -177.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.07 77.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.189 0.519 . . . . 0.46999999999999997 110.412 -179.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.2 tp -63.84 -48.56 76.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.776 -0.647 . . . . 0.75 110.777 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.535 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 22.0 ptm -66.34 -32.67 74.21 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.69 0.281 . . . . 1.26 111.094 -177.132 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -66.46 -39.13 88.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.995 0.426 . . . . 2.2000000000000002 110.462 176.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.537 HG21 HD13 ' A' ' 14' ' ' LEU . 25.7 m -62.6 -32.91 74.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.867 -0.606 . . . . 0.54000000000000004 111.048 177.51 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.589 ' HB1' HD12 ' A' ' 60' ' ' ILE . . . -57.05 -45.94 82.81 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.003 -0.544 . . . . 0.46000000000000002 111.338 177.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.91 -29.7 69.75 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.859 -0.61 . . . . 0.48999999999999999 111.059 -175.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -61.63 -51.25 69.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.55 -0.75 . . . . 2.8599999999999999 110.388 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.632 HD13 HD11 ' A' ' 5' ' ' LEU . 96.4 mt -70.91 -36.86 72.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.664 -0.698 . . . . 0.56000000000000005 111.156 -177.385 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.593 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 49.0 mt-10 -57.66 -58.75 6.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.232 -0.44 . . . . 0.51000000000000001 110.988 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.3 t -65.16 -35.04 79.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.023 -0.535 . . . . 1.4199999999999999 111.534 -176.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -70.68 -45.19 65.5 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.115 0.413 . . . . 2.4199999999999999 112.115 -173.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -106.68 13.07 28.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.035 0.383 . . . . 1.0800000000000001 112.035 -175.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.24 39.99 97.56 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 121.045 -0.597 . . . . 0.57999999999999996 112.769 175.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.593 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 29.0 m -116.59 -174.25 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 110.158 -0.312 . . . . 0.45000000000000001 110.158 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.2 t -155.42 130.78 9.62 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.109 -0.701 . . . . 1.6200000000000001 109.109 173.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.589 HD12 ' HB1' ' A' ' 49' ' ' ALA . 58.4 mt -93.89 113.4 60.41 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-O 120.83 0.348 . . . . 0.59999999999999998 110.327 -176.323 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 31.1 Cg_exo -62.03 131.54 35.29 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.965 2.443 . . . . 0.81000000000000005 112.77 -177.104 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -55.59 -30.08 60.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.215 -0.902 . . . . 1.99 111.28 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -75.26 -50.57 15.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.92 -0.582 . . . . 2.4399999999999999 111.392 -176.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.3 t -74.06 -25.78 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 1.1399999999999999 111.279 -174.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 68' ' ' VAL . . . -60.66 -38.92 86.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.093 -0.503 . . . . 0.68000000000000005 112.057 -177.348 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.62 37.85 2.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.009 -0.615 . . . . 0.77000000000000002 113.099 -176.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 67' ' ' ARG . 51.2 mtp180 -141.74 -5.28 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.661 -0.317 . . . . 3.6299999999999999 110.992 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.752 HG11 HD23 ' A' ' 74' ' ' LEU . 7.4 p -102.05 116.35 45.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.582 0.706 . . . . 0.94999999999999996 111.863 -173.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -95.05 -36.63 11.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.737 -0.665 . . . . 1.75 110.916 175.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.9 p -108.56 135.09 20.06 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.672 -0.694 . . . . 0.5 112.174 -172.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.577 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 57.7 Cg_exo -53.32 -27.42 38.83 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.528 2.819 . . . . 0.38 112.983 176.241 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.12 -57.02 12.69 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.884 0.373 . . . . 3.5600000000000001 110.566 176.558 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.587 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 20.9 mm-40 -62.0 -40.9 97.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.832 -0.622 . . . . 2.4300000000000002 110.892 -178.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.752 HD23 HG11 ' A' ' 68' ' ' VAL . 1.5 tm? -58.2 -50.85 72.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.886 -0.597 . . . . 1.22 110.137 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.4 tt -58.84 -44.65 91.01 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.892 -0.595 . . . . 1.1200000000000001 110.882 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.51 -36.28 80.76 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.397 0.517 . . . . 1.4299999999999999 112.397 -177.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 94.4 mt -62.83 -47.07 85.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.96 0.409 . . . . 1.6599999999999999 110.428 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.8 mt -70.21 -39.16 76.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.187 -0.461 . . . . 0.40999999999999998 110.79 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -68.1 -28.56 67.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.543 -0.299 . . . . 1.6699999999999999 111.48 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.23 -38.66 95.4 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 121.327 -0.463 . . . . 0.54000000000000004 112.152 178.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.06 -33.7 65.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.04 0.448 . . . . 0.72999999999999998 110.614 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.2 mt -82.75 -8.23 59.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.018 -0.537 . . . . 0.87 111.605 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.041 0.448 . . . . 1.05 110.988 -179.817 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 51.0 mt . . . . . 0 CA--C 1.528 0.115 0 CA-C-O 120.699 0.285 . . . . 0.88 110.54 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.621 HD11 HD22 ' A' ' 52' ' ' LEU . 3.1 tt -80.01 122.81 27.2 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.449 -0.945 . . . . 1.0 108.449 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.421 ' H ' ' HB2' ' A' ' 9' ' ' ASP . 33.5 p -109.01 176.11 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.753 0.311 . . . . 1.21 111.326 -176.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -61.69 -54.07 47.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 1.3 111.641 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -67.62 -27.96 67.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.649 -0.251 . . . . 2.1899999999999999 111.016 -178.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.645 ' HB3' ' OH ' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -62.21 -51.95 65.73 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.338 0.59 . . . . 1.1200000000000001 109.91 171.032 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.437 ' HG ' HD23 ' A' ' 14' ' ' LEU . 21.6 tp -61.02 -39.89 91.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.269 -0.878 . . . . 1.0800000000000001 110.776 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -51.99 -39.78 59.94 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.722 -0.672 . . . . 2.1699999999999999 111.365 177.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.852 ' HE ' ' HA ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -78.24 -40.46 37.16 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.507 -0.315 . . . . 3.6600000000000001 111.121 -179.719 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.54 98.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.192 -0.458 . . . . 0.48999999999999999 111.836 -175.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.578 HD13 HG21 ' A' ' 48' ' ' THR . 4.4 mm? -59.99 -43.92 94.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.953 0.406 . . . . 0.79000000000000004 111.082 177.639 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.9 t -67.05 -39.4 83.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 0.70999999999999996 111.095 -177.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 45.5 mt-10 -59.19 -36.81 76.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 1.49 111.063 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 t -85.71 -1.97 57.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.209 -0.45 . . . . 1.25 111.612 -177.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.795 0.331 . . . . 1.6799999999999999 111.883 -177.63 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.8 mp . . . . . 0 CA--C 1.53 0.185 0 N-CA-C 111.822 0.304 . . . . 1.6000000000000001 111.822 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.0 m -95.85 -48.78 5.6 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.666 0.269 . . . . 2.0800000000000001 111.171 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.52 46.03 3.49 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 121.143 -0.551 . . . . 1.8400000000000001 113.346 -174.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 61.97 104.31 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.764 0.793 . . . . 2.77 112.34 176.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -110.38 1.8 18.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.049 -0.978 . . . . 0.92000000000000004 111.467 -172.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.51 ' O ' ' HB ' ' A' ' 70' ' ' THR . 26.5 mt -53.23 -37.13 61.77 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.086 0.773 . . . . 0.78000000000000003 113.086 -174.336 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -92.13 1.08 57.43 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.932 0.345 . . . . 2.29 111.932 -176.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.8 mt -92.35 132.25 36.88 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.29 -0.634 . . . . 1.23 109.29 174.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -71.43 164.61 25.46 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.875 -0.33 . . . . 2.8799999999999999 110.161 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -58.06 -29.63 65.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.901 0.381 . . . . 0.58999999999999997 110.121 174.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -58.97 -32.19 69.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.461 -0.791 . . . . 2.6000000000000001 111.526 172.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -80.45 -40.57 26.03 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.328 -0.397 . . . . 2.0299999999999998 110.411 -175.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.7 pt -89.66 6.69 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.282 -0.417 . . . . 0.67000000000000004 111.678 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.13 45.55 95.17 Favored Glycine 0 CA--C 1.518 0.254 0 CA-C-N 115.94 -0.573 . . . . 0.62 114.063 173.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -110.99 113.48 26.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.395 0.617 . . . . 0.70999999999999996 111.506 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.89 164.17 24.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.854 -1.066 . . . . 1.9299999999999999 111.808 -178.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.1 p -49.58 -53.62 22.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.808 -1.087 . . . . 0.91000000000000003 111.573 174.043 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.422 ' O ' ' HG2' ' A' ' 46' ' ' MET . 54.1 tp -58.49 -40.3 82.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.335 -0.848 . . . . 1.3200000000000001 110.954 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.68 95.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.083 0.468 . . . . 0.46999999999999997 110.499 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.99 -48.33 79.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.635 -0.711 . . . . 0.75 111.56 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.422 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 27.3 ptm -64.7 -34.49 78.44 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.948 -0.301 . . . . 1.26 110.926 -177.41 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -67.53 -42.72 82.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.358 . . . . 2.2000000000000002 110.168 174.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.578 HG21 HD13 ' A' ' 14' ' ' LEU . 43.3 m -63.47 -36.51 83.98 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.108 -0.496 . . . . 0.54000000000000004 111.61 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.84 -40.6 69.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.366 -0.379 . . . . 0.46000000000000002 111.488 -178.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.94 -31.83 72.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.042 -0.526 . . . . 0.48999999999999999 111.1 -176.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -69.33 -44.23 72.09 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.622 -0.717 . . . . 2.8599999999999999 109.774 -177.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.621 HD22 HD11 ' A' ' 5' ' ' LEU . 48.2 mt -68.53 -48.1 65.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.576 -0.738 . . . . 0.56000000000000005 110.486 -178.227 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.526 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 53.0 mt-10 -57.34 -51.89 67.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.884 -0.598 . . . . 0.51000000000000001 111.145 -177.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.7 t -66.36 -42.79 87.53 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.524 -0.307 . . . . 1.4199999999999999 111.344 -176.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -70.83 -48.78 52.21 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.285 0.476 . . . . 2.4199999999999999 112.285 -174.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.645 ' OH ' ' HB3' ' A' ' 9' ' ' ASP . 70.7 m-85 -94.36 6.89 47.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.935 0.398 . . . . 1.0800000000000001 111.142 -172.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 65.88 44.07 92.6 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.655 -0.702 . . . . 0.57999999999999996 112.562 175.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.526 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 32.9 m -126.71 -176.06 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.076 0.465 . . . . 0.45000000000000001 111.253 -176.198 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.4 p -150.39 135.48 17.77 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 108.732 -0.84 . . . . 1.6200000000000001 108.732 172.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 60.8 mt -91.52 116.71 66.98 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 110.152 -0.314 . . . . 0.59999999999999998 110.152 -177.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.15 127.27 24.44 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.09 2.527 . . . . 0.81000000000000005 112.087 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -61.92 -19.3 62.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.689 -0.687 . . . . 1.99 112.175 -175.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -78.18 -53.76 6.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.006 0.432 . . . . 2.4399999999999999 110.733 175.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.1 t -74.87 -19.51 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.951 -0.568 . . . . 1.1399999999999999 111.412 -174.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.5 -39.74 84.81 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.123 0.487 . . . . 0.68000000000000005 111.472 -177.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.13 35.52 4.73 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.456 -0.878 . . . . 0.77000000000000002 112.419 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -142.5 42.84 1.62 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.754 0.311 . . . . 3.6299999999999999 110.802 -177.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.552 HG21 HD23 ' A' ' 74' ' ' LEU . 22.3 m -140.73 166.47 18.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.245 -0.434 . . . . 0.94999999999999996 110.876 179.101 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -138.24 -43.84 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 1.75 110.991 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.51 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 77.1 p -107.56 149.64 39.13 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.959 -0.564 . . . . 0.5 111.585 -176.268 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.407 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 44.7 Cg_exo -57.73 -26.47 73.32 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.81 2.34 . . . . 0.38 111.92 172.204 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.577 ' HE ' ' HA ' ' A' ' 72' ' ' ARG . 1.1 tpm_? -53.89 -55.75 23.96 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.754 0.311 . . . . 3.5600000000000001 110.163 174.36 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -63.66 -46.99 83.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.189 -0.914 . . . . 2.4300000000000002 110.537 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.552 HD23 HG21 ' A' ' 68' ' ' VAL . 1.4 tm? -58.53 -51.25 70.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.735 -0.666 . . . . 1.22 110.775 -178.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.7 tp -59.18 -44.1 92.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.946 -0.57 . . . . 1.1200000000000001 111.25 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.77 -36.88 83.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.791 -0.64 . . . . 1.4299999999999999 111.023 -175.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.28 -52.33 64.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.034 -0.53 . . . . 1.6599999999999999 110.065 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.0 mt -63.56 -46.65 94.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.40999999999999998 110.823 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -60.64 -38.33 84.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 1.6699999999999999 111.235 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.62 -37.13 93.27 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 121.117 -0.563 . . . . 0.54000000000000004 112.339 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.42 -28.89 64.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.013 0.435 . . . . 0.72999999999999998 110.902 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.406 HD21 ' CG1' ' A' ' 58' ' ' VAL . 67.4 mt -73.87 -19.43 60.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.044 -0.526 . . . . 0.87 111.241 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.461 -0.336 . . . . 1.05 111.639 -179.02 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.671 0.272 . . . . 5.0199999999999996 110.386 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.6 163.31 39.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.385 -0.371 . . . . 2.3199999999999998 110.535 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.4 m -81.34 106.23 13.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.907 0.384 . . . . 2.1000000000000001 110.624 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.4 mt -81.24 166.79 20.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.88 111.485 -179.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.635 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 1.2 tt -85.2 123.75 31.07 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.591 -0.522 . . . . 1.0 109.591 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.531 ' OG1' ' HB2' ' A' ' 9' ' ' ASP . 67.9 p -106.15 173.53 6.27 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.138 -0.225 . . . . 1.21 111.437 -177.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.3 p -59.23 -56.78 17.74 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.265 0.555 . . . . 1.3 110.94 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.561 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 32.2 t70 -62.93 -38.73 92.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.49 -0.777 . . . . 2.1899999999999999 111.085 -177.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.531 ' HB2' ' OG1' ' A' ' 6' ' ' THR . 0.2 OUTLIER -61.31 -44.94 96.37 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.752 0.311 . . . . 1.1200000000000001 110.36 178.564 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.4 tp -62.74 -46.46 87.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 1.0800000000000001 109.851 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -55.5 -41.9 73.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.583 -0.735 . . . . 2.1699999999999999 111.08 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.561 ' HG2' ' O ' ' A' ' 8' ' ' ASP . 23.9 mmm180 -68.17 -43.47 78.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.315 -0.402 . . . . 3.6600000000000001 110.892 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.3 -41.42 93.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.451 -0.341 . . . . 0.48999999999999999 111.896 -173.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 40' ' ' TYR . 4.3 mm? -59.82 -45.57 91.96 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.976 0.417 . . . . 0.79000000000000004 110.678 176.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 52.8 t -67.66 -48.02 77.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.855 -0.611 . . . . 0.70999999999999996 110.845 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 47.3 mt-10 -57.69 -29.96 65.09 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.22 -0.445 . . . . 1.49 111.556 -177.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.498 ' OG ' ' HG3' ' A' ' 51' ' ' ARG . 18.1 m -81.61 -54.6 5.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.967 0.413 . . . . 1.25 111.405 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.697 ' HB1' ' HG2' ' A' ' 20' ' ' GLU . . . -81.13 -63.73 1.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.903 0.382 . . . . 1.6799999999999999 111.607 -174.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.55 -2.69 65.12 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.504 -0.855 . . . . 2.1400000000000001 111.744 -175.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.697 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 33.0 mm-40 -66.14 108.4 2.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.582 -0.525 . . . . 5.4699999999999998 109.582 177.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -125.58 31.9 5.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.58 0.705 . . . . 4.4699999999999998 110.509 -177.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -123.19 120.76 34.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.9 -0.591 . . . . 4.4000000000000004 110.562 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.72 -42.83 3.13 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.644 -0.789 . . . . 2.54 112.962 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.4 t -93.95 119.14 32.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.449 0.643 . . . . 3.02 111.31 -178.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -114.73 114.4 25.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.935 -0.575 . . . . 2.7599999999999998 110.593 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.3 mp -89.7 14.67 11.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.037 -0.528 . . . . 1.6000000000000001 110.343 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.2 m -83.62 11.53 7.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.876 -0.602 . . . . 2.0800000000000001 110.988 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.61 -117.46 1.75 Allowed Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.605 -0.807 . . . . 1.8400000000000001 112.199 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -108.16 108.69 19.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.195 0.521 . . . . 2.77 110.456 -178.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -121.24 -30.94 4.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.39 -0.823 . . . . 0.92000000000000004 111.22 -174.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.3 mt -57.22 -30.37 64.54 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.613 0.597 . . . . 0.78000000000000003 112.613 -177.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -90.62 -17.45 26.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.58 -0.282 . . . . 2.29 111.239 -175.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.0 mt -86.68 150.33 24.27 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.904 -0.406 . . . . 1.23 109.904 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.519 ' HG2' ' OD2' ' A' ' 69' ' ' ASP . 64.3 mtm180 -73.87 161.89 29.67 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.617 -0.512 . . . . 2.8799999999999999 109.617 177.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -54.78 -46.6 74.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.992 0.425 . . . . 0.58999999999999997 111.062 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -65.47 -22.27 66.73 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.117 -0.492 . . . . 2.6000000000000001 112.197 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -79.38 -32.91 43.19 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.873 -0.417 . . . . 2.0299999999999998 109.873 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.457 HG13 ' HD1' ' A' ' 40' ' ' TYR . 15.6 pt -88.93 14.95 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.67000000000000004 110.916 176.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.49 32.18 62.35 Favored Glycine 0 CA--C 1.518 0.233 0 CA-C-N 115.58 -0.736 . . . . 0.62 113.766 172.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 43.6 m-85 -109.3 118.87 37.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.193 0.521 . . . . 0.70999999999999996 111.47 178.106 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.1 150.76 47.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.078 -0.965 . . . . 1.9299999999999999 110.519 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.8 p -52.89 -45.12 67.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.131 -0.486 . . . . 0.91000000000000003 111.736 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.404 ' O ' ' HG2' ' A' ' 46' ' ' MET . 1.7 tm? -64.0 -49.39 72.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.001 -0.545 . . . . 1.3200000000000001 110.255 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.04 -31.37 72.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.231 0.539 . . . . 0.46999999999999997 110.502 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.665 ' HG ' ' H6A' ' A' ' 87' ' ' SXO . 47.3 tp -65.65 -46.6 78.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.588 -0.733 . . . . 0.75 111.194 177.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 21.1 ptm -71.15 -25.33 62.51 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.517 -0.473 . . . . 1.26 110.694 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 43.5 mt-10 -64.54 -41.47 96.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.017 0.437 . . . . 2.2000000000000002 109.829 171.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.439 HG21 HD22 ' A' ' 14' ' ' LEU . 42.0 m -61.07 -39.88 91.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.308 -0.86 . . . . 0.54000000000000004 110.606 177.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.494 ' HB1' HD12 ' A' ' 60' ' ' ILE . . . -56.73 -42.13 78.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.76 -0.655 . . . . 0.46000000000000002 111.245 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.16 -32.85 73.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.305 0.574 . . . . 0.48999999999999999 110.436 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.498 ' HG3' ' OG ' ' A' ' 17' ' ' SER . 10.3 mmt180 -68.19 -39.08 82.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.642 -0.708 . . . . 2.8599999999999999 110.195 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.7 mt -62.54 -48.98 77.13 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.751 -0.659 . . . . 0.56000000000000005 110.134 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.538 ' OE2' ' HA ' ' A' ' 59' ' ' SER . 55.2 mt-10 -58.6 -43.77 89.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.677 -0.692 . . . . 0.51000000000000001 110.692 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.0 m -67.24 -25.53 66.13 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.334 0.494 . . . . 1.4199999999999999 112.334 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -89.89 -47.81 7.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.976 0.417 . . . . 2.4199999999999999 111.415 -175.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.635 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 68.7 m-85 -96.75 -6.17 36.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.252 -0.431 . . . . 1.0800000000000001 111.632 -173.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.08 24.77 72.92 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.83 -0.7 . . . . 0.57999999999999996 112.114 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.6 m -97.99 -171.34 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.756 0.312 . . . . 0.45000000000000001 110.617 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.538 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 7.0 t -157.71 132.19 8.4 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.324 -0.621 . . . . 1.6200000000000001 109.324 174.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.636 HG21 ' H8 ' ' A' ' 87' ' ' SXO . 56.1 mt -97.57 120.89 59.7 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.291 -0.413 . . . . 0.59999999999999998 110.934 -176.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 36.9 Cg_exo -63.2 154.66 66.27 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.564 2.843 . . . . 0.81000000000000005 113.68 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -58.38 -56.96 15.35 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.04 -0.982 . . . . 1.99 112.908 -174.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -72.01 -40.0 68.79 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.673 0.273 . . . . 2.4399999999999999 111.587 -169.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.1 p -73.26 -23.84 20.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.77 -0.372 . . . . 1.1399999999999999 110.995 -175.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.438 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -61.9 -40.18 94.55 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.104 0.478 . . . . 0.68000000000000005 111.127 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.18 1.32 84.54 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.85 -0.691 . . . . 0.77000000000000002 112.751 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -100.65 0.38 39.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.502 -0.41 . . . . 3.6299999999999999 111.781 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 65' ' ' ALA . 28.3 m -91.33 172.3 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.747 -0.381 . . . . 0.94999999999999996 110.355 176.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.519 ' OD2' ' HG2' ' A' ' 34' ' ' ARG . 34.1 t70 -147.71 -47.9 0.17 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.302 -0.408 . . . . 1.75 110.957 -174.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.5 p -110.65 149.68 40.65 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.43 -0.35 . . . . 0.5 111.083 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -52.98 -37.07 77.99 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.639 2.893 . . . . 0.38 113.23 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.513 ' HD2' ' OE2' ' A' ' 73' ' ' GLU . 15.9 ttm180 -54.87 -50.44 68.69 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.463 -0.335 . . . . 3.5600000000000001 110.727 -179.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.513 ' OE2' ' HD2' ' A' ' 72' ' ' ARG . 16.8 mm-40 -64.74 -34.3 77.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.818 -0.628 . . . . 2.4300000000000002 110.667 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.89 -47.96 75.95 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.215 -0.661 . . . . 1.22 109.215 176.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 40.9 tp -57.88 -50.35 73.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.509 -0.769 . . . . 1.1200000000000001 110.265 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.66 -42.38 83.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.474 -0.785 . . . . 1.4299999999999999 111.122 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.42 -51.97 66.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.874 -0.603 . . . . 1.6599999999999999 111.248 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.9 mt -70.51 -34.85 59.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.558 -0.292 . . . . 0.40999999999999998 110.821 -176.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -62.37 -47.02 86.0 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.878 0.37 . . . . 1.6699999999999999 110.259 174.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.484 ' O ' ' HG3' ' A' ' 84' ' ' GLU . . . -65.16 -35.01 91.19 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.802 -0.636 . . . . 0.54000000000000004 112.522 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.18 -34.52 75.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.701 0.286 . . . . 0.72999999999999998 111.037 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.5 mt -72.37 -33.18 67.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.955 0.407 . . . . 0.87 110.45 176.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.97 -19.82 65.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.86 -0.609 . . . . 1.05 111.521 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 80' ' ' GLY . 44.6 mt-10 -84.48 -3.27 58.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.392 . . . . 2.6699999999999999 110.724 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -105.36 142.5 35.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.184 -0.462 . . . . 2.4500000000000002 110.472 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.217 -0.897 . . . . 3.8199999999999998 110.129 179.525 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SXO . . . . . 0.665 ' H6A' ' HG ' ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 109.798 -0.445 . . . . 5.0199999999999996 109.798 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.42 96.82 6.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.927 0.394 . . . . 2.3199999999999998 110.687 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.5 p -75.68 105.21 6.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.117 -0.492 . . . . 2.1000000000000001 110.398 177.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.5 HD22 HD13 ' A' ' 82' ' ' LEU . 35.5 mt -79.69 172.59 13.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.02 -0.536 . . . . 0.88 110.745 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.654 HD11 HD22 ' A' ' 52' ' ' LEU . 0.8 OUTLIER -80.9 124.4 29.08 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.378 -0.601 . . . . 1.0 109.378 -177.834 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.2 p -102.43 177.89 4.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.739 0.304 . . . . 1.21 111.193 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.5 p -58.61 -56.01 27.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.555 0.693 . . . . 1.3 111.219 175.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.542 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 2.4 m-20 -65.6 -42.73 91.32 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.037 -0.983 . . . . 2.1899999999999999 111.305 -174.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -62.63 -33.86 75.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.654 0.264 . . . . 1.1200000000000001 111.009 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.21 -52.51 54.25 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.376 -0.602 . . . . 1.0800000000000001 109.376 177.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -56.63 -39.61 73.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.296 -0.865 . . . . 2.1699999999999999 111.27 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 77.8 mtp180 -64.21 -39.62 94.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 3.6600000000000001 111.367 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.9 -32.88 72.33 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.823 0.344 . . . . 0.48999999999999999 110.969 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.447 HD13 HG21 ' A' ' 48' ' ' THR . 4.2 mm? -65.17 -53.83 38.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.006 -0.543 . . . . 0.79000000000000004 110.224 174.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.824 HG13 ' HA3' ' A' ' 19' ' ' GLY . 92.3 t -64.95 -40.32 88.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.737 -0.665 . . . . 0.70999999999999996 111.863 -176.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -62.1 -28.26 69.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.972 0.415 . . . . 1.49 111.011 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.2 m -85.76 -42.59 14.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.991 0.424 . . . . 1.25 110.365 174.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -158.76 104.53 1.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.666 -0.697 . . . . 1.6799999999999999 110.435 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.824 ' HA3' HG13 ' A' ' 15' ' ' VAL . . . -127.47 71.39 0.49 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.315 -0.945 . . . . 2.1400000000000001 113.236 -176.033 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.484 ' O ' ' HB ' ' A' ' 24' ' ' THR . 35.3 tt0 -80.63 119.47 23.3 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.81 -0.441 . . . . 5.4699999999999998 109.81 177.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.8 p -95.02 13.76 24.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.219 0.533 . . . . 4.4699999999999998 112.11 -175.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -79.78 -47.75 14.71 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.518 -0.765 . . . . 4.4000000000000004 111.189 -177.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.94 17.07 1.57 Allowed Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.421 -0.895 . . . . 2.54 112.694 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.484 ' HB ' ' O ' ' A' ' 20' ' ' GLU . 24.5 m -110.6 95.73 5.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.113 0.482 . . . . 3.02 109.868 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -98.51 118.35 35.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.987 -0.551 . . . . 2.7599999999999998 110.612 -176.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -116.55 30.18 7.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.251 -0.431 . . . . 1.6000000000000001 110.745 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -88.17 -8.35 55.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.284 -0.416 . . . . 2.0800000000000001 110.915 -176.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -102.94 -161.42 25.65 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.772 -0.728 . . . . 1.8400000000000001 113.204 -175.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -74.83 77.46 2.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.973 0.416 . . . . 2.77 110.692 -178.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -74.66 -27.94 60.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.319 -0.401 . . . . 0.92000000000000004 111.082 -176.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.489 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 96.3 mt -56.09 -31.56 63.35 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.452 0.538 . . . . 0.78000000000000003 112.452 -178.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -94.23 -9.0 37.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.443 -0.344 . . . . 2.29 111.55 -177.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.9 mt -91.47 138.86 31.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.64 -0.255 . . . . 1.23 110.395 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -73.28 163.56 27.92 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.826 -0.435 . . . . 2.8799999999999999 109.826 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.411 ' HA ' HG12 ' A' ' 38' ' ' ILE . 71.2 m-85 -58.22 -35.53 71.81 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.415 -0.357 . . . . 0.58999999999999997 111.385 178.262 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -61.15 -33.88 74.13 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.683 -0.235 . . . . 2.6000000000000001 111.553 174.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -81.91 -27.81 33.18 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.77 0.319 . . . . 2.0299999999999998 110.618 -172.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.411 HG12 ' HA ' ' A' ' 35' ' ' PHE . 27.8 pt -88.81 8.17 3.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.949 0.404 . . . . 0.67000000000000004 110.977 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 60.62 47.81 89.35 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.764 -0.653 . . . . 0.62 113.573 175.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -113.75 119.06 36.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.053 0.454 . . . . 0.70999999999999996 111.191 176.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -64.37 147.58 52.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.215 -0.902 . . . . 1.9299999999999999 111.362 178.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.2 p -51.37 -44.62 62.17 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.836 -0.62 . . . . 0.91000000000000003 111.164 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.8 tp -55.2 -51.5 66.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.768 -0.651 . . . . 1.3200000000000001 110.888 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.97 -30.71 71.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.053 -0.522 . . . . 0.46999999999999997 110.95 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.0 tp -68.84 -44.21 73.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.935 -0.575 . . . . 0.75 111.485 -177.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.2 ptt? -68.13 -29.48 68.4 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.523 -0.471 . . . . 1.26 110.151 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -66.95 -39.35 87.26 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.123 0.487 . . . . 2.2000000000000002 110.432 173.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 54.1 m -63.34 -37.1 85.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.598 -0.728 . . . . 0.54000000000000004 110.9 178.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.5 -44.95 85.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.43 . . . . 0.46000000000000002 111.123 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.05 -30.24 70.21 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.444 -0.798 . . . . 0.48999999999999999 110.688 -177.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 40.0 mmt180 -58.28 -55.09 39.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.683 -0.69 . . . . 2.8599999999999999 110.576 178.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.654 HD22 HD11 ' A' ' 5' ' ' LEU . 86.0 mt -61.27 -44.39 97.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.989 -0.551 . . . . 0.56000000000000005 111.127 -174.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.567 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 53.1 mt-10 -60.48 -56.16 24.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.152 -0.476 . . . . 0.51000000000000001 111.109 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.0 t -65.08 -32.46 74.18 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.015 0.436 . . . . 1.4199999999999999 111.401 -177.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 51' ' ' ARG . 20.0 ttt180 -68.16 -40.34 82.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.918 -0.583 . . . . 2.4199999999999999 111.467 -174.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -115.93 4.62 13.86 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.189 0.44 . . . . 1.0800000000000001 112.189 -175.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.77 37.21 83.94 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.888 -0.672 . . . . 0.57999999999999996 112.499 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.567 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 29.2 m -106.95 -170.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.667 0.27 . . . . 0.45000000000000001 110.825 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 p -155.0 126.69 7.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.995 -0.548 . . . . 1.6200000000000001 109.598 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 60.3 mt -91.92 130.31 38.92 Favored Pre-proline 0 C--N 1.318 -0.778 0 N-CA-C 110.044 -0.354 . . . . 0.59999999999999998 110.044 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.563 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 54.4 Cg_exo -52.34 138.41 55.84 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.918 2.412 . . . . 0.81000000000000005 112.933 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -54.4 -53.47 53.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.017 -0.992 . . . . 1.99 112.436 -174.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -78.89 -37.59 39.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.743 0.306 . . . . 2.4399999999999999 111.259 -176.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.563 ' HB ' ' HB2' ' A' ' 61' ' ' PRO . 43.0 t -72.23 -19.79 19.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.775 0.321 . . . . 1.1399999999999999 111.68 -174.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.88 -44.3 94.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.107 0.48 . . . . 0.68000000000000005 111.502 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.39 33.7 5.3 Favored Glycine 0 C--N 1.321 -0.303 0 CA-C-N 115.825 -0.625 . . . . 0.77000000000000002 112.771 -176.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -133.13 9.6 4.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.971 0.415 . . . . 3.6299999999999999 110.854 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.4 m -93.72 129.47 44.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.106 -0.497 . . . . 0.94999999999999996 110.079 176.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -98.32 -44.43 6.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.873 0.368 . . . . 1.75 111.605 -175.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.2 p -117.9 155.49 50.97 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.406 -0.361 . . . . 0.5 111.147 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.489 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 87.6 Cg_exo -48.65 -37.9 35.52 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.284 2.656 . . . . 0.38 113.004 174.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -51.5 -50.93 58.95 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 120.97 0.414 . . . . 3.5600000000000001 110.812 178.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -60.76 -49.42 77.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.414 -0.812 . . . . 2.4300000000000002 110.618 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -56.58 -52.15 65.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.635 -0.711 . . . . 1.22 109.898 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 57.2 tp -59.36 -53.42 58.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.967 -0.561 . . . . 1.1200000000000001 111.313 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -57.22 -42.86 82.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.709 -0.678 . . . . 1.4299999999999999 111.65 -174.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.14 -42.97 99.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.473 -0.33 . . . . 1.6599999999999999 111.248 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.428 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 60.7 mt -67.09 -41.99 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 110.028 -0.36 . . . . 0.40999999999999998 110.028 178.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -59.94 -35.72 75.54 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.389 -0.369 . . . . 1.6699999999999999 110.441 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.43 -38.09 95.32 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.134 -0.555 . . . . 0.54000000000000004 112.069 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.13 -34.23 68.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.939 0.4 . . . . 0.72999999999999998 110.252 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.5 HD13 HD22 ' A' ' 4' ' ' LEU . 95.3 mt -70.61 -37.93 73.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.886 -0.597 . . . . 0.87 110.776 178.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.82 -32.77 73.55 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.02 0.438 . . . . 1.05 110.583 175.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -70.2 -49.64 48.17 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.817 -0.629 . . . . 2.6699999999999999 109.495 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 69.81 -77.46 0.05 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.662 0.986 . . . . 2.4500000000000002 113.662 169.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.484 -0.769 . . . . 3.8199999999999998 111.306 -171.494 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SXO . . . . . 0.55 HN36 ' H30' ' A' ' 87' ' ' SXO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.644 0.259 . . . . 5.0199999999999996 110.535 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.52 159.23 33.7 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.468 -0.333 . . . . 2.3199999999999998 111.189 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.8 t -73.98 106.16 5.55 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.777 0.799 . . . . 2.1000000000000001 110.497 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.2 mt -84.57 166.02 17.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.497 -0.774 . . . . 0.88 111.157 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.767 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 2.8 tt -86.71 122.1 30.15 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 107.724 -1.213 . . . . 1.0 107.724 172.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.86 160.53 15.44 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.416 0.524 . . . . 1.21 112.416 -177.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.62 -51.6 68.07 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 115.547 -0.751 . . . . 1.3 112.908 -175.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -58.58 -44.48 89.82 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.022 0.439 . . . . 2.1899999999999999 111.257 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.29 -33.32 75.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.797 -0.638 . . . . 1.1200000000000001 110.832 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.7 tp -68.69 -44.01 74.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 1.0800000000000001 109.939 174.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -54.99 -43.07 73.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.97 -0.559 . . . . 2.1699999999999999 110.791 176.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -69.68 -33.68 72.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.928 -0.578 . . . . 3.6600000000000001 111.523 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.437 ' HB2' HD21 ' A' ' 52' ' ' LEU . . . -59.88 -45.72 91.58 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.11 0.411 . . . . 0.48999999999999999 112.11 -171.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.607 ' HB2' HD21 ' A' ' 26' ' ' LEU . 3.8 mm? -63.15 -38.88 92.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.895 0.378 . . . . 0.79000000000000004 110.649 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.7 t -69.88 -46.69 73.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.285 -0.416 . . . . 0.70999999999999996 110.668 -178.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.82 -31.58 72.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 1.49 111.457 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.5 m -79.52 -39.13 32.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.711 0.291 . . . . 1.25 111.26 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.99 -30.96 68.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.935 0.398 . . . . 1.6799999999999999 110.372 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.28 68.96 1.03 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.775 -0.726 . . . . 2.1400000000000001 112.763 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 61.35 83.86 0.14 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 122.749 0.419 . . . . 5.4699999999999998 110.613 177.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.8 p -141.16 81.44 1.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.389 -0.369 . . . . 4.4699999999999998 111.134 -177.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -87.22 162.79 17.27 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.41 -0.589 . . . . 4.4000000000000004 109.41 174.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.27 -54.48 0.73 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.639 -0.791 . . . . 2.54 112.318 178.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.4 m -61.94 148.09 44.79 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.191 -0.3 . . . . 3.02 110.191 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -70.38 84.08 0.57 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.415 0.626 . . . . 2.7599999999999998 110.703 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.607 HD21 ' HB2' ' A' ' 14' ' ' LEU . 32.5 tp -133.55 -2.45 3.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.785 -1.098 . . . . 1.6000000000000001 109.445 177.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.5 m -83.21 -47.81 11.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.623 -0.717 . . . . 2.0800000000000001 111.103 -172.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -103.27 -30.93 5.18 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.428 -0.891 . . . . 1.8400000000000001 113.051 -175.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -146.59 145.19 30.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.925 0.363 . . . . 2.77 110.161 -174.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -169.9 -29.25 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.449 0.907 . . . . 0.92000000000000004 113.449 -178.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.636 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 48.0 mt -54.47 -33.06 58.99 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.04 1.126 . . . . 0.78000000000000003 114.04 -170.003 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -102.71 4.42 38.08 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.896 -0.322 . . . . 2.29 111.497 -177.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.1 mt -90.69 130.72 36.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.9 0.381 . . . . 1.23 110.612 176.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -70.79 141.12 51.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.375 -0.375 . . . . 2.8799999999999999 110.577 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -54.54 -40.04 68.29 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.905 0.383 . . . . 0.58999999999999997 111.069 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -58.3 -36.92 74.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.845 -0.616 . . . . 2.6000000000000001 111.211 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -85.21 -18.81 32.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.232 -0.44 . . . . 2.0299999999999998 112.061 -173.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.482 HG13 ' HD1' ' A' ' 40' ' ' TYR . 22.8 pt -95.76 11.2 4.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.635 -0.426 . . . . 0.67000000000000004 111.303 177.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.15 49.64 51.62 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.983 -0.553 . . . . 0.62 113.659 174.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.482 ' HD1' HG13 ' A' ' 38' ' ' ILE . 21.2 m-85 -118.15 114.91 23.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 117.084 0.442 . . . . 0.70999999999999996 110.972 176.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.91 153.43 40.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.305 -0.861 . . . . 1.9299999999999999 110.846 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.6 p -53.64 -43.88 69.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.755 -0.657 . . . . 0.91000000000000003 111.611 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.414 ' O ' ' HG2' ' A' ' 46' ' ' MET . 53.9 tp -64.08 -46.26 85.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.393 -0.367 . . . . 1.3200000000000001 110.526 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.93 -28.18 69.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.405 0.621 . . . . 0.46999999999999997 110.825 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.494 ' HG ' ' H2A' ' A' ' 87' ' ' SXO . 31.6 tp -70.3 -43.96 69.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.633 -0.712 . . . . 0.75 110.615 178.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.414 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 27.4 ptm -72.12 -27.1 62.41 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.711 0.291 . . . . 1.26 110.438 178.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.59 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 19.0 mm-40 -59.77 -50.45 73.78 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.561 -0.533 . . . . 2.2000000000000002 109.561 172.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.526 HG21 HD13 ' A' ' 14' ' ' LEU . 22.8 m -61.35 -41.54 97.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.501 -0.772 . . . . 0.54000000000000004 110.745 178.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.428 ' HB2' ' H6 ' ' A' ' 87' ' ' SXO . . . -55.81 -49.63 72.69 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.972 -0.558 . . . . 0.46000000000000002 111.963 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.86 -31.54 70.99 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.402 0.62 . . . . 0.48999999999999999 110.73 -175.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.59 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 19.2 mmt180 -65.3 -38.96 91.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.231 -0.895 . . . . 2.8599999999999999 110.417 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.628 HD13 HD11 ' A' ' 5' ' ' LEU . 65.6 mt -81.21 -35.55 31.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.835 -0.62 . . . . 0.56000000000000005 111.283 -177.087 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -58.9 -43.12 90.97 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.501 -0.555 . . . . 0.51000000000000001 109.501 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.2 m -65.77 -39.81 91.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.723 -0.671 . . . . 1.4199999999999999 111.33 176.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -68.66 -54.34 16.9 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.508 0.558 . . . . 2.4199999999999999 112.508 -176.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.767 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 29.8 m-85 -96.89 -1.2 46.39 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.267 -0.424 . . . . 1.0800000000000001 111.23 -170.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.12 33.43 65.1 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.793 -0.718 . . . . 0.57999999999999996 112.374 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.0 m -106.45 -173.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.064 0.459 . . . . 0.45000000000000001 111.09 -177.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.4 m -152.44 122.95 7.28 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 109.313 -0.625 . . . . 1.6200000000000001 109.313 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 63.7 mt -93.75 116.47 66.49 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 116.503 -0.317 . . . . 0.59999999999999998 110.153 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -57.79 136.13 73.5 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.064 2.509 . . . . 0.81000000000000005 112.386 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -59.37 -39.35 83.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.82 -0.627 . . . . 1.99 111.682 -175.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -77.15 -39.47 49.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.288 -0.415 . . . . 2.4399999999999999 111.332 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.1 t -73.13 -26.3 22.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.06 0.457 . . . . 1.1399999999999999 110.448 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.429 ' HB1' ' H3A' ' A' ' 87' ' ' SXO . . . -62.98 -42.92 99.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.294 0.568 . . . . 0.68000000000000005 110.823 176.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.66 32.93 4.07 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.485 -0.779 . . . . 0.77000000000000002 113.267 -175.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -145.26 11.69 1.34 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 117.006 0.403 . . . . 3.6299999999999999 111.337 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.4 m -97.98 175.42 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.577 -0.283 . . . . 0.94999999999999996 110.311 176.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.47 -51.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.008 0.432 . . . . 1.75 111.287 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.5 p -100.6 142.63 24.99 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.161 -0.472 . . . . 0.5 111.72 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.636 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 79.6 Cg_exo -51.11 -32.16 38.53 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.777 2.985 . . . . 0.38 113.203 176.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -53.25 -55.05 27.63 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 123.358 0.411 . . . . 3.5600000000000001 111.05 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.36 -43.55 98.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.619 -0.718 . . . . 2.4300000000000002 109.679 -177.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 74' ' ' LEU . 1.4 tm? -59.73 -46.55 88.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.523 -0.762 . . . . 1.22 110.137 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.9 tp -60.07 -54.17 49.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.465 -0.788 . . . . 1.1200000000000001 111.323 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -70.01 -27.89 65.05 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.911 -0.586 . . . . 1.4299999999999999 111.275 -175.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.14 -55.63 20.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.483 -0.326 . . . . 1.6599999999999999 111.03 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 61.6 mt -62.08 -46.45 96.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.40999999999999998 110.367 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -66.85 -20.79 65.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 1.6699999999999999 111.032 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.11 -33.6 65.06 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.154 -0.546 . . . . 0.54000000000000004 111.899 177.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.92 -32.11 63.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.339 0.59 . . . . 0.72999999999999998 110.27 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 83.9 mt -86.01 -10.66 54.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.659 -0.7 . . . . 0.87 111.08 -178.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.38 -19.58 66.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.947 0.403 . . . . 1.05 111.548 -178.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -69.0 -19.65 64.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.972 0.415 . . . . 2.6699999999999999 110.298 176.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -112.31 24.95 12.0 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.673 -0.694 . . . . 2.4500000000000002 110.181 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.2 -0.905 . . . . 3.8199999999999998 110.444 176.972 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SXO . . . . . 0.606 HN36 ' H30' ' A' ' 87' ' ' SXO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.3 mtm . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 120.832 0.348 . . . . 5.0199999999999996 110.371 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.06 163.6 32.43 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.453 -0.573 . . . . 2.3199999999999998 109.453 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 t -136.22 137.94 41.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.208 0.528 . . . . 2.1000000000000001 110.734 -178.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.1 mt -82.67 174.16 11.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.612 -0.722 . . . . 0.88 110.983 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.539 ' HG ' ' HG ' ' A' ' 75' ' ' LEU . 11.2 tp -83.82 121.22 27.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.361 -0.836 . . . . 1.0 108.899 172.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.52 172.93 6.54 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.465 0.543 . . . . 1.21 112.465 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -55.75 -56.79 16.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.371 -0.831 . . . . 1.3 111.967 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -60.95 -38.63 86.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 2.1899999999999999 111.357 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.04 -45.32 95.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.987 -0.551 . . . . 1.1200000000000001 110.927 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.412 HD22 HD12 ' A' ' 75' ' ' LEU . 50.2 tp -63.87 -46.25 85.77 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.968 -0.382 . . . . 1.0800000000000001 109.968 176.195 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -55.31 -33.76 63.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.077 -0.511 . . . . 2.1699999999999999 111.711 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.604 ' NH2' HG21 ' A' ' 15' ' ' VAL . 4.2 mmp_? -71.19 -33.8 70.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.452 -0.155 . . . . 3.6600000000000001 111.192 177.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.76 91.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.703 0.287 . . . . 0.48999999999999999 111.451 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.468 ' HB3' ' OH ' ' A' ' 40' ' ' TYR . 3.0 mm? -67.25 -24.96 65.86 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.493 0.663 . . . . 0.79000000000000004 110.482 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.64 ' HA ' ' HA2' ' A' ' 19' ' ' GLY . 59.6 t -84.97 -23.56 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.601 -0.727 . . . . 0.70999999999999996 110.362 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.478 ' OE1' ' HD2' ' A' ' 51' ' ' ARG . 41.8 mt-10 -74.8 -34.84 62.47 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.982 -0.554 . . . . 1.49 110.975 175.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.8 p -82.53 -61.73 1.81 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.865 0.364 . . . . 1.25 111.299 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.05 -57.09 2.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.096 0.474 . . . . 1.6799999999999999 110.599 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.64 ' HA2' ' HA ' ' A' ' 15' ' ' VAL . . . 103.89 156.4 24.14 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.717 -0.754 . . . . 2.1400000000000001 112.429 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.04 108.19 3.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.901 0.382 . . . . 5.4699999999999998 110.053 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 p -112.15 -101.13 0.41 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.937 -0.574 . . . . 4.4699999999999998 111.497 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -146.86 159.1 43.94 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.545 -0.539 . . . . 4.4000000000000004 109.545 -177.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.72 -63.88 3.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.765 -0.731 . . . . 2.54 112.381 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.5 t -96.35 91.55 5.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.735 0.779 . . . . 3.02 110.477 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -95.2 134.71 37.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.698 -0.683 . . . . 2.7599999999999998 110.523 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.407 ' N ' HD12 ' A' ' 26' ' ' LEU . 6.7 mp -99.8 8.61 44.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.855 -0.611 . . . . 1.6000000000000001 110.873 -175.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.0 m -81.69 85.26 6.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.032 0.444 . . . . 2.0800000000000001 110.523 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.47 -118.07 1.29 Allowed Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.648 -0.787 . . . . 1.8400000000000001 111.93 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -104.93 150.82 24.57 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.596 -0.52 . . . . 2.77 109.596 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -169.66 -24.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.701 0.286 . . . . 0.92000000000000004 111.123 -174.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.826 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 91.7 mt -56.85 -22.45 36.94 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.047 0.388 . . . . 0.78000000000000003 112.047 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -92.43 -13.39 30.09 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.247 0.546 . . . . 2.29 110.442 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.8 mt -86.12 127.45 34.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.748 -0.66 . . . . 1.23 109.999 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.9 mtt85 -67.6 152.3 45.87 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.358 -0.383 . . . . 2.8799999999999999 110.101 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -54.07 -32.89 56.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.417 -0.356 . . . . 0.58999999999999997 111.147 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.35 -31.12 68.91 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.038 -0.528 . . . . 2.6000000000000001 111.479 175.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -86.28 -33.74 20.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.337 -0.392 . . . . 2.0299999999999998 111.187 -174.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.468 HG13 ' HD1' ' A' ' 40' ' ' TYR . 28.9 pt -88.46 13.94 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.953 0.406 . . . . 0.67000000000000004 111.577 -177.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.56 38.12 61.83 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.734 -0.666 . . . . 0.62 114.275 171.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.468 ' OH ' ' HB3' ' A' ' 14' ' ' LEU . 34.9 m-85 -106.6 119.65 39.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.496 0.648 . . . . 0.70999999999999996 110.941 175.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -77.85 -62.48 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.836 -1.074 . . . . 1.9299999999999999 111.64 -173.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.5 p 174.1 -49.49 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.743 -0.836 . . . . 0.91000000000000003 108.743 -173.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.49 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -64.78 -46.39 82.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.128 -0.942 . . . . 1.3200000000000001 109.295 178.319 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.66 -26.02 68.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.46999999999999997 110.68 177.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.56 ' HG ' ' H8A' ' A' ' 87' ' ' SXO . 35.2 tp -75.37 -46.16 34.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.985 -0.552 . . . . 0.75 110.694 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.0 ptm -68.44 -31.64 71.1 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.64 -0.255 . . . . 1.26 111.333 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 11.2 mm-40 -64.25 -38.61 91.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.077 0.465 . . . . 2.2000000000000002 110.449 176.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.3 m -63.35 -33.9 76.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.737 -0.665 . . . . 0.54000000000000004 111.27 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.434 ' HB2' ' H6 ' ' A' ' 87' ' ' SXO . . . -55.73 -44.81 77.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.46000000000000002 111.488 -178.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.18 -32.54 72.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.055 -0.521 . . . . 0.48999999999999999 110.79 -176.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.478 ' HD2' ' OE1' ' A' ' 16' ' ' GLU . 10.9 mmt180 -66.92 -33.47 75.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.422 -0.808 . . . . 2.8599999999999999 110.854 -178.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.6 mt -83.48 -48.06 10.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.149 -0.478 . . . . 0.56000000000000005 110.619 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.543 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 50.3 mt-10 -58.76 -52.16 66.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.774 -0.648 . . . . 0.51000000000000001 111.374 -176.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.9 t -67.42 -21.64 65.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.291 -0.413 . . . . 1.4199999999999999 111.321 -176.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -82.89 -48.22 10.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.539 -0.301 . . . . 2.4199999999999999 111.265 -176.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -99.07 2.93 46.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.494 -0.321 . . . . 1.0800000000000001 111.494 -174.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.13 34.0 69.77 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.882 -0.675 . . . . 0.57999999999999996 112.401 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.543 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 28.2 m -110.67 -170.57 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.853 0.358 . . . . 0.45000000000000001 111.202 -177.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.456 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 19.4 p -157.78 133.88 9.42 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.011 -0.737 . . . . 1.6200000000000001 109.011 174.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.433 HG22 ' HB2' ' A' ' 65' ' ' ALA . 56.1 mt -95.9 117.37 66.41 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 116.398 -0.365 . . . . 0.59999999999999998 110.863 -175.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 23.8 Cg_exo -64.48 134.77 42.9 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.629 2.219 . . . . 0.81000000000000005 111.754 178.019 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -62.24 -22.48 66.01 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.081 -0.509 . . . . 1.99 112.263 -174.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -78.01 -50.84 11.33 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.192 0.52 . . . . 2.4399999999999999 110.251 175.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.5 t -70.75 -27.07 29.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.64 -0.709 . . . . 1.1399999999999999 110.852 -174.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.433 ' HB2' HG22 ' A' ' 60' ' ' ILE . . . -61.87 -34.4 75.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.124 0.488 . . . . 0.68000000000000005 111.331 177.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.86 10.49 74.75 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.816 -0.707 . . . . 0.77000000000000002 112.62 -177.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -91.94 -25.4 18.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.722 0.296 . . . . 3.6299999999999999 110.656 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.502 HG21 HD23 ' A' ' 74' ' ' LEU . 34.2 m -95.53 156.85 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.846 0.355 . . . . 0.94999999999999996 111.757 -177.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -135.38 -12.1 2.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.925 -0.58 . . . . 1.75 110.432 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.425 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 21.1 p -125.66 140.5 36.67 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.152 -0.476 . . . . 0.5 110.872 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.495 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 80.2 Cg_exo -51.59 -44.21 45.58 Favored 'Trans proline' 0 N--CA 1.476 0.453 0 C-N-CA 123.948 3.098 . . . . 0.38 114.299 -176.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.826 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 44.8 ttm105 -52.94 -45.99 67.93 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.855 0.359 . . . . 3.5600000000000001 111.723 -176.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.56 -38.66 87.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.893 -0.594 . . . . 2.4300000000000002 110.269 -176.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.502 HD23 HG21 ' A' ' 68' ' ' VAL . 2.9 tm? -65.15 -45.15 86.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.841 -0.618 . . . . 1.22 109.988 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.539 ' HG ' ' HG ' ' A' ' 5' ' ' LEU . 5.5 tt -58.75 -49.75 76.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.71 -0.677 . . . . 1.1200000000000001 110.518 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.53 -34.26 77.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.068 -0.515 . . . . 1.4299999999999999 110.889 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.9 tp -60.19 -53.4 58.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.728 -0.669 . . . . 1.6599999999999999 111.519 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.2 mt -64.38 -37.57 80.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.921 0.391 . . . . 0.40999999999999998 110.989 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -66.16 -26.14 67.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 1.6699999999999999 111.234 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -58.66 -38.88 92.63 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.527 -0.844 . . . . 0.54000000000000004 111.846 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.05 -27.77 61.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.72999999999999998 111.151 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.6 mt -81.64 -36.78 28.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.292 -0.413 . . . . 0.87 110.884 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.23 -28.5 69.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 1.05 111.68 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -91.41 0.45 57.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.473 -0.331 . . . . 2.6699999999999999 111.222 178.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.88 -67.42 0.85 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.845 0.355 . . . . 2.4500000000000002 110.501 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.829 -0.605 . . . . 3.8199999999999998 110.939 -177.533 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SXO . . . . . 0.62 ' H30' HN36 ' A' ' 87' ' ' SXO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.3 mtp . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 109.76 -0.459 . . . . 5.0199999999999996 109.76 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.55 136.13 33.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.963 0.411 . . . . 2.3199999999999998 110.676 -177.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.3 t -110.14 134.87 51.75 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.136 0.493 . . . . 2.1000000000000001 110.943 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.4 mt -81.47 -178.22 6.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.873 -0.603 . . . . 0.88 109.708 175.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.71 HD21 ' HB2' ' A' ' 10' ' ' LEU . 5.4 tt -82.85 121.36 26.84 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.046 -0.724 . . . . 1.0 109.046 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 50.5 p -111.5 167.91 9.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.307 -0.406 . . . . 1.21 110.463 -178.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 p -59.65 -34.27 72.61 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.083 -0.247 . . . . 1.3 111.28 175.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -72.09 -44.09 63.79 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 121.16 -0.216 . . . . 2.1899999999999999 110.646 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.86 -49.72 76.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.388 -0.369 . . . . 1.1200000000000001 110.677 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.71 ' HB2' HD21 ' A' ' 5' ' ' LEU . 50.0 tp -60.75 -46.06 91.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.955 -0.566 . . . . 1.0800000000000001 110.204 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.469 ' O ' HG23 ' A' ' 15' ' ' VAL . 46.0 ttp180 -54.0 -48.58 70.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.858 -0.61 . . . . 2.1699999999999999 110.89 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -68.51 -37.03 79.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.33 -0.396 . . . . 3.6600000000000001 110.939 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.26 -41.54 89.05 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.317 -0.401 . . . . 0.48999999999999999 111.183 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.438 ' HG ' HG21 ' A' ' 48' ' ' THR . 2.5 mt -67.86 -36.11 79.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.855 -0.611 . . . . 0.79000000000000004 111.024 178.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 11' ' ' ARG . 61.3 t -72.68 -37.0 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.70999999999999996 110.789 178.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.27 -33.35 73.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 1.49 110.669 176.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 m -82.8 -54.46 5.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.848 -0.614 . . . . 1.25 110.664 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -124.68 91.34 3.42 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.896 -0.593 . . . . 1.6799999999999999 110.367 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -114.65 84.89 0.38 Allowed Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.684 -0.769 . . . . 2.1400000000000001 112.46 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.6 ' OE2' ' HB3' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -112.35 169.72 8.68 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.038 -0.356 . . . . 5.4699999999999998 110.038 178.842 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.4 m -112.43 55.98 0.67 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.23 0.538 . . . . 4.4699999999999998 111.071 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.6 ' HB3' ' OE2' ' A' ' 20' ' ' GLU . 12.6 t70 -136.55 -62.83 0.64 Allowed 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 116.078 -0.51 . . . . 4.4000000000000004 111.199 177.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.17 9.28 5.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.231 -0.985 . . . . 2.54 113.254 -174.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.2 m -78.82 80.75 5.16 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.887 0.375 . . . . 3.02 111.075 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -120.41 111.97 18.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.008 0.432 . . . . 2.7599999999999998 110.957 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -121.3 37.23 4.39 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.243 -0.651 . . . . 1.6000000000000001 109.243 174.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.4 p -54.11 -67.04 0.29 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.299 -0.864 . . . . 2.0800000000000001 112.691 -173.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.99 -108.26 1.45 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.516 -0.85 . . . . 1.8400000000000001 112.683 -177.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -106.37 148.54 27.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.236 0.541 . . . . 2.77 111.079 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.419 ' HA ' HD23 ' A' ' 33' ' ' LEU . 39.2 p90 -145.96 -4.67 0.63 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.356 -0.838 . . . . 0.92000000000000004 110.281 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.637 ' O ' ' HB ' ' A' ' 70' ' ' THR . 37.0 mt -59.28 -24.22 63.06 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.454 0.538 . . . . 0.78000000000000003 112.454 -174.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -92.53 -16.0 26.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.087 0.47 . . . . 2.29 111.346 -175.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 30' ' ' PHE . 3.5 mm? -88.45 134.69 33.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 1.23 110.894 -177.3 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -71.54 143.33 49.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.529 -0.305 . . . . 2.8799999999999999 110.703 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -53.69 -39.44 65.14 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.29 -0.414 . . . . 0.58999999999999997 111.258 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -56.47 -33.13 65.65 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.759 -0.655 . . . . 2.6000000000000001 111.477 -178.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.99 -34.66 19.18 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.341 0.497 . . . . 2.0299999999999998 112.341 -174.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.469 HG13 ' HD2' ' A' ' 40' ' ' TYR . 14.9 pt -87.25 24.54 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.705 0.631 . . . . 0.67000000000000004 112.705 -173.209 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.28 35.88 83.58 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.784 -0.644 . . . . 0.62 114.198 170.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.469 ' HD2' HG13 ' A' ' 38' ' ' ILE . 53.4 m-85 -111.8 110.18 20.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.308 0.575 . . . . 0.70999999999999996 110.859 174.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -78.35 169.31 18.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.072 -0.967 . . . . 1.9299999999999999 110.069 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.972 ' HB2' ' H28' ' A' ' 87' ' ' SXO . 0.0 OUTLIER -52.04 -53.26 44.05 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 112.54 0.57 . . . . 0.91000000000000003 112.54 -175.057 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' A' ' 46' ' ' MET . 38.7 tp -61.95 -46.12 90.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.466 -0.334 . . . . 1.3200000000000001 110.556 -178.305 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.61 -36.35 80.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.38 -0.373 . . . . 0.46999999999999997 111.075 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.9 tp -67.43 -45.37 76.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.183 -0.462 . . . . 0.75 110.915 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.448 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 4.8 ppp? -75.43 -27.62 59.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.636 0.255 . . . . 1.26 110.858 -178.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -62.17 -41.56 98.44 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.162 0.506 . . . . 2.2000000000000002 110.042 172.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.438 HG21 ' HG ' ' A' ' 14' ' ' LEU . 39.9 m -60.54 -41.85 95.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.596 -0.729 . . . . 0.54000000000000004 110.32 177.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.477 ' HB1' HD12 ' A' ' 60' ' ' ILE . . . -56.58 -42.33 78.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.972 -0.558 . . . . 0.46000000000000002 110.997 177.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.11 -38.46 91.25 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.141 -0.481 . . . . 0.48999999999999999 110.382 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -61.55 -36.42 80.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.698 -0.683 . . . . 2.8599999999999999 110.516 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.8 mt -72.12 -51.02 23.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.99 -0.55 . . . . 0.56000000000000005 110.815 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.582 ' OE2' ' HA ' ' A' ' 59' ' ' SER . 43.0 mt-10 -58.56 -42.61 88.34 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.286 -0.416 . . . . 0.51000000000000001 110.605 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.5 t -65.49 -21.49 66.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.177 -0.465 . . . . 1.4199999999999999 112.038 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -91.11 -47.43 7.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.681 0.277 . . . . 2.4199999999999999 111.376 -176.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.489 ' OH ' ' HA ' ' A' ' 5' ' ' LEU . 75.6 m-85 -95.34 -20.2 19.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.547 -0.297 . . . . 1.0800000000000001 111.733 -173.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.6 32.79 26.63 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.718 -0.754 . . . . 0.57999999999999996 111.812 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 31.0 m -101.54 -173.7 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.798 0.333 . . . . 0.45000000000000001 111.334 -176.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.582 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 8.5 p -148.51 124.93 10.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.645 -0.707 . . . . 1.6200000000000001 109.917 176.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.477 HD12 ' HB1' ' A' ' 49' ' ' ALA . 49.6 mt -94.33 120.73 64.93 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.661 -0.245 . . . . 0.59999999999999998 110.702 -177.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 43.8 Cg_exo -58.56 139.76 91.99 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.195 2.597 . . . . 0.81000000000000005 113.123 -178.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -56.53 -40.55 75.28 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.685 -0.689 . . . . 1.99 111.66 -177.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -79.55 -47.19 15.95 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.385 -0.825 . . . . 2.4399999999999999 111.921 -171.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.8 t -73.34 -28.34 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.841 0.353 . . . . 1.1399999999999999 111.205 -175.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.47 ' HB2' HG22 ' A' ' 60' ' ' ILE . . . -58.82 -42.39 89.08 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.41 0.522 . . . . 0.68000000000000005 112.41 -175.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.75 9.82 74.99 Favored Glycine 0 C--N 1.319 -0.365 0 C-N-CA 120.789 -0.719 . . . . 0.77000000000000002 113.085 -175.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -106.28 1.32 25.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.677 0.275 . . . . 3.6299999999999999 111.55 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.3 m -94.15 175.36 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.694 -0.23 . . . . 0.94999999999999996 111.007 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -142.7 -42.5 0.32 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.004 0.431 . . . . 1.75 111.777 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.637 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 61.2 p -104.82 143.82 27.49 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.06 -0.518 . . . . 0.5 111.196 -175.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.503 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 74.9 Cg_exo -52.97 -30.88 50.51 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.289 2.659 . . . . 0.38 112.818 176.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.555 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -56.2 -46.49 79.42 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.426 -0.352 . . . . 3.5600000000000001 110.168 178.506 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -64.31 -41.94 96.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.03 -0.532 . . . . 2.4300000000000002 110.943 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.606 HD21 ' H8 ' ' A' ' 87' ' ' SXO . 0.4 OUTLIER -61.18 -48.14 82.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.269 0.557 . . . . 1.22 109.626 179.651 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.508 ' HG ' HD22 ' A' ' 5' ' ' LEU . 10.3 tt -58.64 -48.3 81.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.402 -0.817 . . . . 1.1200000000000001 110.525 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -65.19 -37.9 88.79 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.687 -0.688 . . . . 1.4299999999999999 111.577 -177.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.32 -52.03 66.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.739 0.304 . . . . 1.6599999999999999 111.316 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.2 mt -68.21 -36.06 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.859 0.362 . . . . 0.40999999999999998 110.503 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -64.61 -40.5 95.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.458 . . . . 1.6699999999999999 110.948 177.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.94 -39.35 97.43 Favored Glycine 0 CA--C 1.516 0.124 0 C-N-CA 121.146 -0.55 . . . . 0.54000000000000004 112.78 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.89 -26.6 63.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.903 0.382 . . . . 0.72999999999999998 111.239 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.5 mt -86.13 -29.28 23.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.272 -0.422 . . . . 0.87 111.021 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.75 -41.95 95.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.203 -0.453 . . . . 1.05 111.607 -176.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -92.01 12.85 20.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.901 0.381 . . . . 2.6699999999999999 111.217 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.94 -67.36 0.79 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.471 -0.331 . . . . 2.4500000000000002 111.631 -176.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.593 -0.717 . . . . 3.8199999999999998 110.886 -176.779 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SXO . . . . . 0.972 ' H28' ' HB2' ' A' ' 42' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.535 ' HB3' ' O ' ' A' ' 86' ' ' ALA . 46.1 ttm . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.769 0.319 . . . . 5.0199999999999996 110.33 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.3 119.62 15.71 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.271 -0.422 . . . . 2.3199999999999998 110.243 176.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.35 105.78 5.67 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.855 -0.612 . . . . 2.1000000000000001 111.164 -179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.9 mt -76.5 163.09 27.26 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.396 -0.594 . . . . 0.88 109.396 177.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.597 ' HA ' ' CZ ' ' A' ' 56' ' ' TYR . 6.1 tt -79.71 123.22 27.47 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.186 -0.672 . . . . 1.0 109.186 -177.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.41 148.32 22.9 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.924 -0.58 . . . . 1.21 111.452 -177.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.9 p -58.29 -36.95 74.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.599 -0.728 . . . . 1.3 110.783 177.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.33 -46.7 88.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.453 -0.794 . . . . 2.1899999999999999 110.718 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.08 -44.8 87.72 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.195 -0.457 . . . . 1.1200000000000001 110.983 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.411 ' O ' HD23 ' A' ' 14' ' ' LEU . 37.8 tp -59.63 -42.66 93.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 1.0800000000000001 110.345 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -54.04 -41.59 68.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.032 -0.531 . . . . 2.1699999999999999 110.233 176.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -72.98 -40.32 65.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.074 -0.512 . . . . 3.6600000000000001 111.296 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.66 -38.43 78.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.48999999999999999 111.604 -173.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.664 HD13 HG21 ' A' ' 48' ' ' THR . 4.6 mm? -62.58 -48.21 80.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.853 0.359 . . . . 0.79000000000000004 110.277 177.197 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.7 t -67.57 -42.83 87.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.70999999999999996 110.79 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.51 -36.98 74.66 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.191 -0.459 . . . . 1.49 111.337 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.542 ' OG ' ' HA ' ' A' ' 48' ' ' THR . 16.3 m -80.3 -33.76 37.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.443 -0.344 . . . . 1.25 111.103 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.84 -47.15 72.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.967 0.413 . . . . 1.6799999999999999 110.578 177.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.1 6.99 78.03 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.756 -0.735 . . . . 2.1400000000000001 112.001 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.766 ' HG3' ' H ' ' A' ' 22' ' ' ASP . 8.3 tp10 -147.16 155.86 42.49 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.133 -0.321 . . . . 5.4699999999999998 110.133 -178.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.9 t -106.4 1.22 25.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.545 0.688 . . . . 4.4699999999999998 110.96 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.766 ' H ' ' HG3' ' A' ' 20' ' ' GLU . 11.9 t70 -86.92 111.18 20.56 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.194 -0.912 . . . . 4.4000000000000004 111.111 -178.271 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.38 -19.51 48.01 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.592 -0.813 . . . . 2.54 112.483 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.3 p -79.55 71.15 6.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.938 0.399 . . . . 3.02 111.502 -177.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -87.65 89.85 8.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.364 0.602 . . . . 2.7599999999999998 110.005 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.3 mp -111.95 44.56 1.38 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.362 -0.835 . . . . 1.6000000000000001 109.278 176.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.8 m -71.31 92.82 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.333 -0.849 . . . . 2.0800000000000001 111.719 -174.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.6 -72.44 2.68 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.096 -0.573 . . . . 1.8400000000000001 112.122 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -103.79 156.19 18.01 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.318 -0.253 . . . . 2.77 110.318 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -178.8 -25.13 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.07 -0.514 . . . . 0.92000000000000004 110.473 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.728 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 87.2 mt -54.47 -23.64 17.03 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.831 -0.622 . . . . 0.78000000000000003 112.116 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -89.81 -18.06 26.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.855 -0.612 . . . . 2.29 111.155 -170.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.9 mt -89.99 152.89 20.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.383 -0.371 . . . . 1.23 110.619 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -69.59 152.41 44.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.602 0.239 . . . . 2.8799999999999999 110.702 175.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -57.55 -41.78 81.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.899 0.381 . . . . 0.58999999999999997 110.557 173.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -60.74 -23.19 64.76 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.964 -0.562 . . . . 2.6000000000000001 111.4 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -85.89 -33.25 21.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.094 0.473 . . . . 2.0299999999999998 109.994 -173.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.483 HG13 ' HD1' ' A' ' 40' ' ' TYR . 13.0 pt -90.31 14.71 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.922 -0.581 . . . . 0.67000000000000004 111.833 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.46 25.72 56.17 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 114.58 0.592 . . . . 0.62 114.58 171.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.483 ' HD1' HG13 ' A' ' 38' ' ' ILE . 85.8 m-85 -111.69 118.84 36.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.586 0.693 . . . . 0.70999999999999996 110.879 178.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -94.95 -172.49 2.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.535 -0.757 . . . . 1.9299999999999999 110.811 -175.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 80.5 p -51.17 -61.18 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 123.406 0.682 . . . . 0.91000000000000003 112.527 -173.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.425 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 57.6 tp -59.54 -51.62 69.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.789 -0.641 . . . . 1.3200000000000001 111.618 -175.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.19 -29.76 70.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.46999999999999997 111.324 -175.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.562 ' HG ' ' H3 ' ' A' ' 87' ' ' SXO . 35.2 tp -62.26 -51.24 68.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.172 -0.467 . . . . 0.75 111.11 -178.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.4 ptm -70.03 -31.76 69.57 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.932 -0.307 . . . . 1.26 110.989 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 50.7 mt-10 -64.92 -39.5 93.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.89 0.376 . . . . 2.2000000000000002 110.044 178.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.664 HG21 HD13 ' A' ' 14' ' ' LEU . 32.9 m -62.16 -42.6 99.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.808 -0.633 . . . . 0.54000000000000004 110.895 176.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.33 -39.13 72.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.032 -0.531 . . . . 0.46000000000000002 111.909 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.47 -30.39 71.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.186 0.517 . . . . 0.48999999999999999 110.967 -177.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.763 ' HE ' ' HA ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -66.79 -36.19 81.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.81 -0.632 . . . . 2.8599999999999999 110.718 -179.248 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.467 HD22 HD11 ' A' ' 5' ' ' LEU . 86.3 mt -69.79 -44.11 70.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.737 -0.665 . . . . 0.56000000000000005 110.279 179.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.538 ' HA ' HG22 ' A' ' 58' ' ' VAL . 51.5 mt-10 -58.58 -49.15 78.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.856 -0.611 . . . . 0.51000000000000001 111.121 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.4 m -62.31 -35.72 79.91 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.404 -0.362 . . . . 1.4199999999999999 111.633 -176.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -75.58 -44.61 42.28 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.268 -0.424 . . . . 2.4199999999999999 111.663 -173.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.597 ' CZ ' ' HA ' ' A' ' 5' ' ' LEU . 93.3 m-85 -98.5 -8.98 25.71 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.043 0.386 . . . . 1.0800000000000001 112.043 -175.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.65 42.98 45.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.674 -0.774 . . . . 0.57999999999999996 112.074 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.538 HG22 ' HA ' ' A' ' 53' ' ' GLU . 28.9 m -112.36 -174.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.739 0.304 . . . . 0.45000000000000001 110.883 -178.298 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.7 m -143.62 117.8 9.54 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.416 -0.587 . . . . 1.6200000000000001 109.416 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 69.1 mt -91.96 111.94 52.35 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.939 0.4 . . . . 0.59999999999999998 110.854 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 17.5 Cg_exo -66.53 125.81 14.48 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.784 2.323 . . . . 0.81000000000000005 111.671 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -65.2 -7.39 12.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.401 . . . . 1.99 111.403 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -74.98 -55.62 5.58 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.645 -0.502 . . . . 2.4399999999999999 109.645 172.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.494 HG11 HD13 ' A' ' 77' ' ' LEU . 4.0 t -76.71 -20.47 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.869 -0.605 . . . . 1.1399999999999999 110.766 -177.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.84 -28.57 68.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.9 -0.591 . . . . 0.68000000000000005 110.798 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -97.41 12.79 64.86 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.658 -0.782 . . . . 0.77000000000000002 112.002 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.459 ' HD3' ' HA ' ' A' ' 64' ' ' VAL . 79.8 mtp180 -107.67 -6.29 16.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.969 0.414 . . . . 3.6299999999999999 110.776 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.3 m -99.43 167.61 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.289 -0.414 . . . . 0.94999999999999996 110.935 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -147.87 -37.08 0.2 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.341 0.591 . . . . 1.75 109.454 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.5 p -112.4 148.34 38.97 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.834 -0.621 . . . . 0.5 110.809 177.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.728 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 53.2 Cg_exo -55.53 -29.11 68.03 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.118 2.546 . . . . 0.38 112.001 176.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.402 ' NH2' ' HB2' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -53.08 -47.78 68.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.802 -0.635 . . . . 3.5600000000000001 110.164 175.877 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -68.67 -45.1 72.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.78 -0.645 . . . . 2.4300000000000002 110.951 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.49 ' HG ' ' H7A' ' A' ' 87' ' ' SXO . 1.9 tm? -57.26 -45.12 84.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.878 -0.601 . . . . 1.22 110.113 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.8 tp -57.12 -45.81 83.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.458 -0.792 . . . . 1.1200000000000001 110.968 177.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.402 ' HB2' ' NH2' ' A' ' 72' ' ' ARG . 7.9 t70 -69.62 -27.04 64.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.249 0.547 . . . . 1.4299999999999999 110.907 -175.152 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.494 HD13 HG11 ' A' ' 64' ' ' VAL . 61.7 tp -65.16 -59.4 4.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.798 -0.637 . . . . 1.6599999999999999 110.895 177.155 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 50.6 mt -67.87 -45.22 84.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.095 -0.502 . . . . 0.40999999999999998 110.913 -175.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -61.87 -36.7 82.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.597 -0.274 . . . . 1.6699999999999999 110.974 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.42 -35.92 91.75 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 121.107 -0.568 . . . . 0.54000000000000004 112.419 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.31 -45.38 55.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.772 0.32 . . . . 0.72999999999999998 110.858 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.1 mt -68.43 -28.58 67.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.87 111.744 -176.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.86 -5.71 18.01 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.197 0.444 . . . . 1.05 112.197 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -81.98 -13.76 56.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.131 0.491 . . . . 2.6699999999999999 109.993 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.89 167.6 9.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 2.4500000000000002 110.367 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.535 ' O ' ' HB3' ' A' ' 1' ' ' MET . . . . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.204 -0.903 . . . . 3.8199999999999998 110.615 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SXO . . . . . 0.562 ' H3 ' ' HG ' ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 mmt . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 110.386 -0.227 . . . . 5.0199999999999996 110.386 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.58 102.11 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.873 0.733 . . . . 2.3199999999999998 112.679 175.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.1 t -83.44 110.59 18.3 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.929 -0.578 . . . . 2.1000000000000001 109.498 174.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 45.0 mt -78.35 -177.91 5.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.027 -0.533 . . . . 0.88 111.227 -177.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.482 HD11 HD22 ' A' ' 52' ' ' LEU . 1.6 tt -81.13 122.94 27.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.661 -0.699 . . . . 1.0 109.512 -177.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.447 ' H ' ' HB2' ' A' ' 9' ' ' ASP . 41.6 p -104.39 171.06 7.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.691 0.282 . . . . 1.21 111.063 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p -62.41 -36.16 81.48 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.825 -0.17 . . . . 1.3 111.34 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -71.38 -37.33 71.61 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.067 0.461 . . . . 2.1899999999999999 110.243 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.447 ' HB2' ' H ' ' A' ' 6' ' ' THR . 1.6 m-20 -58.5 -45.47 88.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.638 -0.71 . . . . 1.1200000000000001 110.172 174.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.5 tp -68.61 -39.54 80.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.528 -0.76 . . . . 1.0800000000000001 110.081 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.0 ttp85 -53.41 -51.51 62.36 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.205 -0.452 . . . . 2.1699999999999999 110.614 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.477 ' HB3' ' OE1' ' A' ' 16' ' ' GLU . 17.3 mtp180 -61.83 -41.78 98.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.869 -0.605 . . . . 3.6600000000000001 111.344 178.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.19 -38.05 85.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.48999999999999999 112.08 -173.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.481 HD13 HG21 ' A' ' 48' ' ' THR . 4.5 mm? -72.86 -49.27 31.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.662 -0.245 . . . . 0.79000000000000004 111.009 178.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.02 -52.09 63.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 120.813 0.34 . . . . 0.70999999999999996 111.651 -176.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.477 ' OE1' ' HB3' ' A' ' 12' ' ' ARG . 44.6 mt-10 -68.17 -23.32 64.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.335 -0.393 . . . . 1.49 111.994 -177.14 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -83.56 -29.51 27.77 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.957 -0.297 . . . . 1.25 110.528 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.38 -62.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.358 . . . . 1.6799999999999999 110.86 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.92 69.71 0.37 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.453 -0.879 . . . . 2.1400000000000001 112.615 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 64.47 87.43 0.11 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.415 0.626 . . . . 5.4699999999999998 111.595 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.401 HG22 ' HB ' ' A' ' 24' ' ' THR . 1.9 m -87.79 104.73 16.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.86 -0.609 . . . . 4.4699999999999998 110.287 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -91.65 114.63 27.21 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.801 -0.636 . . . . 4.4000000000000004 110.654 -176.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.51 24.63 20.74 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.931 -0.652 . . . . 2.54 112.727 177.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.401 ' HB ' HG22 ' A' ' 21' ' ' THR . 23.3 m -142.25 100.79 3.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.093 0.473 . . . . 3.02 110.686 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -84.18 120.15 25.85 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.157 -0.474 . . . . 2.7599999999999998 110.906 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -118.78 26.53 9.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.511 -0.768 . . . . 1.6000000000000001 109.513 174.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 t -95.31 -25.92 16.13 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.729 -0.669 . . . . 2.0800000000000001 109.923 -177.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.02 -166.43 28.37 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.626 -0.797 . . . . 1.8400000000000001 112.112 175.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -78.66 87.14 4.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.178 0.513 . . . . 2.77 109.898 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -92.55 2.36 56.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.287 -0.415 . . . . 0.92000000000000004 111.883 -173.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.847 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 23.8 mt -56.4 -23.97 41.66 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.878 0.695 . . . . 0.78000000000000003 112.878 -177.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -93.0 -11.35 33.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.936 0.398 . . . . 2.29 111.467 -177.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.8 mt -87.33 113.01 22.67 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.049 -0.523 . . . . 1.23 110.213 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.501 ' HD2' ' OD2' ' A' ' 69' ' ' ASP . 23.1 mtm180 -67.65 147.92 52.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.405 -0.361 . . . . 2.8799999999999999 110.673 -175.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -53.07 -43.31 66.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.58999999999999997 110.772 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -54.26 -37.52 64.77 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.768 -0.651 . . . . 2.6000000000000001 112.08 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -85.0 -27.7 26.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.644 -0.253 . . . . 2.0299999999999998 111.106 -173.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.484 HG12 ' O ' ' A' ' 34' ' ' ARG . 17.3 pt -93.97 18.64 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.884 0.373 . . . . 0.67000000000000004 111.849 -178.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.64 -0.28 89.48 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 121.132 -0.556 . . . . 0.62 113.848 171.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.469 ' HD2' HG13 ' A' ' 38' ' ' ILE . 56.8 m-85 -89.35 98.71 11.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.441 -0.447 . . . . 0.70999999999999996 110.839 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -83.78 178.65 7.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.496 -0.774 . . . . 1.9299999999999999 110.093 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.7 p -51.16 -45.52 61.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.611 -0.722 . . . . 0.91000000000000003 111.841 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.596 ' O ' ' HG3' ' A' ' 46' ' ' MET . 51.1 tp -66.73 -48.5 68.97 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 116.499 -0.319 . . . . 1.3200000000000001 110.694 -177.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.27 77.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.332 0.587 . . . . 0.46999999999999997 110.702 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.858 ' HG ' ' H5 ' ' A' ' 87' ' ' SXO . 46.8 tp -68.9 -46.9 67.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.892 -0.594 . . . . 0.75 111.118 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.596 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 4.4 ppp? -66.24 -31.69 72.65 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.628 -0.26 . . . . 1.26 110.918 -177.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -62.23 -46.36 89.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.621 0.724 . . . . 2.2000000000000002 110.032 174.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.481 HG21 HD13 ' A' ' 14' ' ' LEU . 22.6 m -66.07 -19.7 65.93 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.133 -0.939 . . . . 0.54000000000000004 112.038 -178.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.472 ' HB2' ' H7A' ' A' ' 87' ' ' SXO . . . -57.42 -41.54 80.59 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.067 0.461 . . . . 0.46000000000000002 111.344 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.49 -29.92 70.28 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.637 -0.711 . . . . 0.48999999999999999 110.817 -177.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.594 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 39.4 mmt180 -62.4 -39.23 92.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.201 -0.908 . . . . 2.8599999999999999 110.844 -176.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.482 HD22 HD11 ' A' ' 5' ' ' LEU . 76.8 mt -83.24 -46.26 12.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.068 -0.515 . . . . 0.56000000000000005 111.305 -176.14 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.469 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 55.4 mt-10 -57.41 -53.3 59.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.337 -0.392 . . . . 0.51000000000000001 111.622 -177.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.5 t -64.53 -35.48 81.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.778 0.323 . . . . 1.4199999999999999 111.146 -178.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.594 ' HB2' ' O ' ' A' ' 51' ' ' ARG . 50.6 ttt180 -64.05 -51.53 63.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 2.4199999999999999 111.431 -173.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.467 ' CZ ' ' HG ' ' A' ' 5' ' ' LEU . 58.5 m-85 -98.18 -14.94 20.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.532 -0.304 . . . . 1.0800000000000001 111.641 -174.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.65 34.82 10.99 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.81 -0.71 . . . . 0.57999999999999996 111.927 -178.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.469 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 32.9 m -106.5 -169.42 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.672 0.272 . . . . 0.45000000000000001 110.7 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.8 t -157.35 135.71 11.22 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.124 -0.695 . . . . 1.6200000000000001 109.124 172.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 43.7 mt -96.34 122.26 58.12 Favored Pre-proline 0 C--N 1.317 -0.817 0 CA-C-N 116.361 -0.382 . . . . 0.59999999999999998 110.358 -177.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.434 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 76.7 Cg_exo -51.55 133.08 42.84 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.868 2.379 . . . . 0.81000000000000005 112.036 178.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.15 -50.27 69.72 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.834 -0.621 . . . . 1.99 111.859 -171.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -79.01 -38.08 37.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.212 -0.449 . . . . 2.4399999999999999 111.427 -174.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.434 ' HB ' ' HB2' ' A' ' 61' ' ' PRO . 42.7 t -72.36 -22.87 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.081 0.467 . . . . 1.1399999999999999 111.099 -176.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.601 ' HB1' ' H4 ' ' A' ' 87' ' ' SXO . . . -61.27 -29.47 69.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.137 -0.483 . . . . 0.68000000000000005 111.479 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -105.01 21.68 35.29 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 121.054 -0.593 . . . . 0.77000000000000002 112.049 -177.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.597 ' HA ' ' HE ' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -99.95 -12.73 19.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.095 0.474 . . . . 3.6299999999999999 111.003 -179.513 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.569 HG21 HD23 ' A' ' 74' ' ' LEU . 35.2 m -89.7 172.88 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.387 -0.369 . . . . 0.94999999999999996 111.214 -176.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.501 ' OD2' ' HD2' ' A' ' 34' ' ' ARG . 19.2 t70 -143.84 -45.32 0.27 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.958 -0.565 . . . . 1.75 110.322 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.9 p -104.12 150.49 38.39 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.021 -0.536 . . . . 0.5 111.399 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.473 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 50.8 Cg_exo -56.05 -33.89 90.98 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.183 2.588 . . . . 0.38 112.748 178.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.847 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 45.4 ttm180 -56.36 -46.79 79.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.341 -0.39 . . . . 3.5600000000000001 110.776 177.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -65.04 -41.87 94.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.094 -0.503 . . . . 2.4300000000000002 110.541 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.569 HD23 HG21 ' A' ' 68' ' ' VAL . 2.5 tm? -60.22 -50.52 73.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.832 -0.622 . . . . 1.22 109.96 178.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 46.3 tp -59.52 -53.09 62.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.96 -0.564 . . . . 1.1200000000000001 110.919 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -62.19 -34.82 77.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 1.4299999999999999 111.359 -174.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -63.7 -54.42 35.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.813 0.34 . . . . 1.6599999999999999 110.249 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 66.1 mt -67.68 -39.26 81.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.038 0.447 . . . . 0.40999999999999998 110.845 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -63.13 -43.6 97.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.103 -0.499 . . . . 1.6699999999999999 110.018 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.4 -32.79 80.2 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.654 -0.703 . . . . 0.54000000000000004 112.492 178.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.28 -38.37 84.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.956 0.408 . . . . 0.72999999999999998 110.031 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.417 HD21 ' CG1' ' A' ' 58' ' ' VAL . 91.1 mt -70.63 -34.26 71.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.487 -0.778 . . . . 0.87 110.6 178.036 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.17 -18.97 65.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.015 -0.539 . . . . 1.05 111.57 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -108.4 13.55 25.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.864 0.364 . . . . 2.6699999999999999 110.949 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -124.36 161.57 25.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.862 0.363 . . . . 2.4500000000000002 111.238 -177.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.697 -0.668 . . . . 3.8199999999999998 110.372 178.53 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SXO . . . . . 0.858 ' H5 ' ' HG ' ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.8 mtp . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 109.822 -0.436 . . . . 5.0199999999999996 109.822 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.552 ' HB2' ' HB1' ' A' ' 86' ' ' ALA . . . -101.82 148.87 24.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.283 -0.417 . . . . 2.3199999999999998 110.588 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.3 p -84.14 103.41 13.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.829 -0.434 . . . . 2.1000000000000001 109.829 176.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.7 mt -84.94 164.96 18.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.821 -0.627 . . . . 0.88 110.774 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.615 ' HG ' ' HG ' ' A' ' 75' ' ' LEU . 15.5 tp -83.93 121.04 26.83 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.631 -0.877 . . . . 1.0 108.631 173.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.463 ' H ' ' HB2' ' A' ' 9' ' ' ASP . 73.2 p -114.49 -179.41 3.62 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.471 -0.492 . . . . 1.21 111.361 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.584 HG22 HD11 ' A' ' 31' ' ' LEU . 2.9 p -56.82 -57.01 14.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.533 -0.758 . . . . 1.3 111.267 177.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.464 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 20.3 m-20 -66.32 -27.14 67.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.926 -0.579 . . . . 2.1899999999999999 111.631 -177.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.463 ' HB2' ' H ' ' A' ' 6' ' ' THR . 22.6 m-20 -64.61 -53.22 51.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.774 0.321 . . . . 1.1200000000000001 110.569 174.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.6 tp -61.26 -39.18 89.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.65 0.738 . . . . 1.0800000000000001 109.338 176.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.496 HH21 ' HA ' ' A' ' 27' ' ' SER . 68.5 ttt180 -53.33 -34.71 58.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.567 -1.197 . . . . 2.1699999999999999 110.969 175.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.804 ' HA ' ' HE ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -82.01 -42.86 18.75 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.543 -0.299 . . . . 3.6600000000000001 111.597 177.019 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.66 91.44 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.6 0.593 . . . . 0.48999999999999999 112.6 -171.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.454 HD12 ' CE1' ' A' ' 40' ' ' TYR . 4.2 mm? -63.07 -38.39 91.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.979 0.418 . . . . 0.79000000000000004 110.266 177.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.2 t -68.59 -35.57 70.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.885 -0.598 . . . . 0.70999999999999996 110.74 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.455 ' CD ' HH21 ' A' ' 51' ' ' ARG . 48.0 mt-10 -57.64 -43.02 84.55 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.998 0.428 . . . . 1.49 110.813 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.9 m -82.32 -30.18 30.63 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.917 -0.583 . . . . 1.25 111.548 -176.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.51 -51.07 7.66 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.85 0.315 . . . . 1.6799999999999999 111.85 -175.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 68.53 24.73 75.16 Favored Glycine 0 C--N 1.329 0.173 0 C-N-CA 120.349 -0.929 . . . . 2.1400000000000001 111.798 -174.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -86.52 140.93 29.45 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.904 0.383 . . . . 5.4699999999999998 110.12 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.2 m -132.19 4.95 4.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.396 0.617 . . . . 4.4699999999999998 111.009 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -104.51 -61.07 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.028 0.442 . . . . 4.4000000000000004 110.263 178.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.65 -138.67 10.26 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.664 -0.698 . . . . 2.54 112.143 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.3 p 48.08 64.86 1.48 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.276 0.56 . . . . 3.02 111.529 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -74.23 88.51 2.0 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.675 0.75 . . . . 2.7599999999999998 110.901 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.7 mp -98.1 65.11 1.71 Allowed 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.839 -0.8 . . . . 1.6000000000000001 108.839 173.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.496 ' HA ' HH21 ' A' ' 11' ' ' ARG . 7.7 t -124.72 -48.06 1.8 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.51 -0.768 . . . . 2.0800000000000001 110.24 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.78 -141.45 5.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 1.8400000000000001 112.633 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -84.15 87.08 7.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.543 0.687 . . . . 2.77 111.038 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -92.34 -24.87 18.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.583 -0.735 . . . . 0.92000000000000004 111.616 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.584 HD11 HG22 ' A' ' 7' ' ' THR . 62.5 mt -56.75 -28.19 60.72 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.529 0.566 . . . . 0.78000000000000003 112.529 -178.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -94.13 -5.62 46.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.104 0.478 . . . . 2.29 110.691 -174.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.5 mt -91.22 127.87 36.82 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.815 -0.439 . . . . 1.23 109.815 177.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.478 HH11 ' HD2' ' A' ' 34' ' ' ARG . 34.7 mtm105 -69.95 153.86 42.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.801 -0.181 . . . . 2.8799999999999999 110.836 -174.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -54.28 -52.26 61.99 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.391 0.515 . . . . 0.58999999999999997 112.391 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -62.7 -21.29 65.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.001 0.429 . . . . 2.6000000000000001 111.216 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.418 ' HB3' ' O ' ' A' ' 34' ' ' ARG . 9.6 t70 -82.19 -34.68 28.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.058 -0.519 . . . . 2.0299999999999998 110.337 -176.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.448 HG13 ' HD2' ' A' ' 40' ' ' TYR . 7.3 pt -89.07 5.97 4.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.273 -0.422 . . . . 0.67000000000000004 111.312 177.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.17 44.98 42.38 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.953 -0.567 . . . . 0.62 113.426 174.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.454 ' CE1' HD12 ' A' ' 14' ' ' LEU . 24.6 m-85 -111.43 120.45 42.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.124 0.462 . . . . 0.70999999999999996 110.968 175.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -76.42 162.86 27.5 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.426 -0.806 . . . . 1.9299999999999999 111.094 -177.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.4 p -50.98 -50.57 58.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.466 -0.788 . . . . 0.91000000000000003 110.621 174.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.46 ' O ' ' HG2' ' A' ' 46' ' ' MET . 56.3 tp -54.37 -53.38 54.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.003 -0.998 . . . . 1.3200000000000001 111.175 179.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.26 -35.91 81.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.341 -0.39 . . . . 0.46999999999999997 111.283 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.76 ' HG ' ' H6 ' ' A' ' 87' ' ' SXO . 34.2 tp -69.01 -39.65 79.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.059 -0.519 . . . . 0.75 110.836 -178.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.46 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 11.5 ptt? -69.81 -34.84 74.24 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.795 0.331 . . . . 1.26 110.295 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 5.6 mm-40 -64.06 -40.93 97.36 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.913 0.387 . . . . 2.2000000000000002 110.032 176.18 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.1 m -61.81 -43.69 98.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.671 -0.695 . . . . 0.54000000000000004 110.599 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.588 ' HB1' HD12 ' A' ' 60' ' ' ILE . . . -56.88 -43.71 81.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.97 -0.559 . . . . 0.46000000000000002 111.062 177.282 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.99 -36.12 80.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.988 -0.551 . . . . 0.48999999999999999 110.43 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 13.6 mmm180 -59.09 -46.78 87.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.573 -0.739 . . . . 2.8599999999999999 109.73 176.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.0 mt -65.1 -46.07 82.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.827 -0.624 . . . . 0.56000000000000005 111.231 -178.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.52 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 51.8 mt-10 -55.28 -60.44 3.4 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.23 -0.441 . . . . 0.51000000000000001 111.627 -177.195 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.7 t -68.13 -21.79 64.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.404 -0.362 . . . . 1.4199999999999999 111.638 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -77.67 -47.13 19.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.977 0.418 . . . . 2.4199999999999999 111.234 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -94.97 -15.32 23.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.274 -0.421 . . . . 1.0800000000000001 111.405 -175.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.44 47.51 5.4 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.613 -0.803 . . . . 0.57999999999999996 111.512 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.52 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 31.8 m -128.58 -169.24 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.496 -0.352 . . . . 0.45000000000000001 110.677 -177.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.9 t -158.93 135.61 9.44 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.137 -0.69 . . . . 1.6200000000000001 109.137 173.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.588 HD12 ' HB1' ' A' ' 49' ' ' ALA . 50.6 mt -96.14 124.47 51.59 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 116.32 -0.4 . . . . 0.59999999999999998 110.127 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 24.2 Cg_exo -63.36 145.35 92.61 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.873 2.382 . . . . 0.81000000000000005 112.417 -177.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.53 -40.32 78.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.31 -0.859 . . . . 1.99 111.739 -175.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -84.36 -45.26 12.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.256 -0.429 . . . . 2.4399999999999999 111.501 -175.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.2 t -70.7 -13.41 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 1.1399999999999999 111.061 -173.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.92 -36.23 80.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.559 0.695 . . . . 0.68000000000000005 111.039 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.61 49.02 2.07 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.671 -0.695 . . . . 0.77000000000000002 112.275 -177.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -134.18 14.98 3.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.928 0.394 . . . . 3.6299999999999999 110.801 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.6 m -137.59 151.38 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.94999999999999996 110.163 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -136.08 -5.17 2.13 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.081 -0.248 . . . . 1.75 111.219 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 64.2 p -126.58 147.76 61.85 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.455 -0.339 . . . . 0.5 110.68 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.43 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 50.8 Cg_exo -56.41 -34.36 94.29 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.276 2.651 . . . . 0.38 112.273 177.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.41 -45.45 72.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.631 -0.713 . . . . 3.5600000000000001 110.443 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -65.89 -48.58 71.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.126 -0.488 . . . . 2.4300000000000002 110.857 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.94 -52.04 66.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.675 -0.693 . . . . 1.22 110.239 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.615 ' HG ' ' HG ' ' A' ' 5' ' ' LEU . 3.7 tt -59.55 -44.09 93.36 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.724 -0.671 . . . . 1.1200000000000001 110.767 -178.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -65.45 -44.54 86.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.959 -0.564 . . . . 1.4299999999999999 111.751 -177.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.6 tp -61.41 -47.4 85.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.894 -0.594 . . . . 1.6599999999999999 111.916 -173.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.6 mt -69.57 -28.32 37.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.798 0.333 . . . . 0.40999999999999998 111.019 -177.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -68.13 -36.72 80.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.373 . . . . 1.6699999999999999 110.998 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -59.69 -38.4 93.76 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.107 -0.568 . . . . 0.54000000000000004 112.127 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.44 -40.48 64.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.021 0.438 . . . . 0.72999999999999998 111.313 -178.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.33 -35.6 80.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.195 -0.457 . . . . 0.87 110.985 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.35 -7.09 28.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.987 -0.551 . . . . 1.05 112.057 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -93.05 -37.7 12.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.702 0.287 . . . . 2.6699999999999999 111.533 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -124.72 87.35 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.928 0.344 . . . . 2.4500000000000002 111.928 -174.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.552 ' HB1' ' HB2' ' A' ' 2' ' ' ALA . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.305 -0.855 . . . . 3.8199999999999998 110.449 178.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SXO . . . . . 0.76 ' H6 ' ' HG ' ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.7 mmm . . . . . 0 N--CA 1.48 1.041 0 CA-C-O 120.688 0.28 . . . . 5.0199999999999996 110.374 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.92 106.05 7.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.94 0.4 . . . . 2.3199999999999998 110.324 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.46 126.0 51.16 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.844 -0.616 . . . . 2.1000000000000001 111.186 -177.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.1 mt -79.66 -175.89 5.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.03 -0.532 . . . . 0.88 110.42 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.613 HD21 ' HB2' ' A' ' 10' ' ' LEU . 7.6 tt -78.05 123.49 26.91 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.205 -0.665 . . . . 1.0 109.205 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.4 p -100.08 164.87 11.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.198 -0.455 . . . . 1.21 111.409 -175.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.487 HG22 HD11 ' A' ' 31' ' ' LEU . 6.6 p -56.31 -49.26 74.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.718 -0.673 . . . . 1.3 110.947 175.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.496 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 3.5 m-20 -66.88 -44.15 81.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.438 -0.801 . . . . 2.1899999999999999 111.398 -175.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.57 -37.67 84.71 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.014 -0.274 . . . . 1.1200000000000001 110.851 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.613 ' HB2' HD21 ' A' ' 5' ' ' LEU . 59.1 tp -65.16 -51.79 59.0 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.765 -0.458 . . . . 1.0800000000000001 109.765 175.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -55.97 -47.76 77.06 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.82 -0.627 . . . . 2.1699999999999999 112.024 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.534 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 15.0 ptm180 -67.46 -28.86 68.23 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 121.173 -0.211 . . . . 3.6600000000000001 111.504 -177.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.88 -35.76 79.26 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.743 0.306 . . . . 0.48999999999999999 111.133 -177.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.692 HD13 HG21 ' A' ' 48' ' ' THR . 4.1 mm? -63.54 -43.88 95.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.79000000000000004 110.373 178.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.0 t -71.73 -34.26 51.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.926 -0.579 . . . . 0.70999999999999996 111.079 -177.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 45.3 mt-10 -67.51 -35.65 79.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.294 -0.412 . . . . 1.49 111.321 -177.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.8 m -83.7 -17.64 40.64 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.933 -0.307 . . . . 1.25 111.152 175.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.58 -42.75 41.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.457 -0.338 . . . . 1.6799999999999999 110.816 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.17 61.52 2.63 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.841 -0.695 . . . . 2.1400000000000001 112.611 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 69.72 131.55 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.725 0.774 . . . . 5.4699999999999998 111.905 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.8 p -130.69 -173.22 3.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.518 -0.765 . . . . 4.4699999999999998 110.268 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -122.47 -51.9 1.95 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.63 0.252 . . . . 4.4000000000000004 110.988 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.71 1.5 15.49 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.501 -0.857 . . . . 2.54 112.988 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.0 m -76.46 78.06 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.211 0.529 . . . . 3.02 110.515 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -100.44 128.82 46.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.821 -0.627 . . . . 2.7599999999999998 110.133 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.8 mt -111.75 22.17 15.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.319 -0.4 . . . . 1.6000000000000001 110.994 -176.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.8 t -80.34 98.94 7.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.325 0.583 . . . . 2.0800000000000001 109.971 176.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 154.32 -149.54 20.93 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.297 -0.865 . . . . 1.8400000000000001 111.333 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -87.34 69.52 9.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.094 0.473 . . . . 2.77 110.163 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.436 ' O ' ' HG2' ' A' ' 71' ' ' PRO . 37.6 p90 -72.96 -31.3 64.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.005 -0.543 . . . . 0.92000000000000004 110.433 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.74 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 95.6 mt -58.23 -21.23 47.25 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.972 -0.558 . . . . 0.78000000000000003 111.944 177.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -94.47 -19.61 20.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.07 0.462 . . . . 2.29 110.6 -176.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.9 mt -90.67 131.61 36.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.993 -0.549 . . . . 1.23 111.235 -176.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -66.43 143.68 56.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.751 -0.204 . . . . 2.8799999999999999 111.291 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -53.55 -42.21 67.26 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.346 -0.388 . . . . 0.58999999999999997 111.224 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -54.42 -33.14 58.81 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.683 -0.69 . . . . 2.6000000000000001 111.625 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -89.74 -27.38 20.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.802 0.334 . . . . 2.0299999999999998 111.406 -173.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.504 HG13 ' HD2' ' A' ' 40' ' ' TYR . 25.5 pt -87.36 19.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.996 0.427 . . . . 0.67000000000000004 111.54 -178.092 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.44 21.73 59.8 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.637 -0.792 . . . . 0.62 113.5 172.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.504 ' HD2' HG13 ' A' ' 38' ' ' ILE . 76.1 m-85 -116.21 98.86 6.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.262 0.554 . . . . 0.70999999999999996 110.803 177.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -80.13 -179.74 7.2 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.87 -1.059 . . . . 1.9299999999999999 109.911 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.5 p -50.93 -49.88 58.82 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 122.87 0.468 . . . . 0.91000000000000003 111.706 -177.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.92 -51.39 69.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.816 -0.629 . . . . 1.3200000000000001 111.258 -178.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.1 -37.82 88.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.15 0.5 . . . . 0.46999999999999997 111.007 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.732 ' HG ' ' H4A' ' A' ' 87' ' ' SXO . 41.1 tp -63.5 -46.98 83.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.773 -0.648 . . . . 0.75 111.374 -178.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.1 ptm -65.31 -38.59 90.65 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 121.014 -0.274 . . . . 1.26 111.328 -177.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -66.36 -31.57 72.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.132 0.491 . . . . 2.2000000000000002 110.826 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.692 HG21 HD13 ' A' ' 14' ' ' LEU . 43.4 m -67.16 -27.44 67.3 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.237 -0.438 . . . . 0.54000000000000004 111.544 178.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.94 -35.82 71.66 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.066 0.395 . . . . 0.46000000000000002 112.066 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.99 -26.52 68.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.108 -0.496 . . . . 0.48999999999999999 111.066 -175.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -66.53 -35.65 80.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.686 -0.688 . . . . 2.8599999999999999 111.454 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 68.6 mt -83.23 -45.33 13.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.111 0.481 . . . . 0.56000000000000005 110.905 -176.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.422 ' OE1' ' HA ' ' A' ' 59' ' ' SER . 38.7 mt-10 -56.58 -55.44 33.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.472 -0.785 . . . . 0.51000000000000001 111.559 -178.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 55.4 p -66.83 -22.75 65.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 1.4199999999999999 111.738 -175.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -80.34 -51.85 8.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.306 -0.406 . . . . 2.4199999999999999 111.17 -175.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.571 ' CZ ' ' HA ' ' A' ' 5' ' ' LEU . 93.5 m-85 -94.69 -7.49 40.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.613 0.244 . . . . 1.0800000000000001 111.562 -175.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.85 47.17 20.7 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.514 -0.85 . . . . 0.57999999999999996 111.131 -176.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.8 m -124.39 -171.76 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.461 -0.369 . . . . 0.45000000000000001 110.18 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.422 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . 8.6 t -153.97 135.55 14.33 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.149 -0.686 . . . . 1.6200000000000001 109.149 173.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 70.6 mt -93.42 118.15 67.53 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 116.074 -0.512 . . . . 0.59999999999999998 109.965 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.44 127.63 26.07 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.871 2.381 . . . . 0.81000000000000005 112.286 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.3 p-10 -59.77 -34.3 72.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.54 -0.754 . . . . 1.99 112.379 -174.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -77.42 -44.95 27.36 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.767 0.318 . . . . 2.4399999999999999 110.464 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 44.5 t -71.19 -22.06 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.13 -0.486 . . . . 1.1399999999999999 110.54 -176.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.499 ' HB1' ' H3A' ' A' ' 87' ' ' SXO . . . -62.73 -23.42 67.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.961 0.41 . . . . 0.68000000000000005 110.974 176.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.55 -3.34 62.85 Favored Glycine 0 C--O 1.228 -0.254 0 C-N-CA 121.0 -0.619 . . . . 0.77000000000000002 112.159 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.42 -11.98 24.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.846 0.355 . . . . 3.6299999999999999 110.727 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.6 m -89.56 158.88 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.708 -0.478 . . . . 0.94999999999999996 109.708 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -142.68 -47.15 0.32 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.082 0.468 . . . . 1.75 110.901 -176.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.9 p -103.25 150.13 37.63 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.018 -0.537 . . . . 0.5 110.964 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.74 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 53.2 Cg_exo -55.54 -32.75 84.1 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.132 2.555 . . . . 0.38 112.305 177.06 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -53.46 -52.49 59.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.011 -0.54 . . . . 3.5600000000000001 110.491 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.73 -40.04 90.9 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.895 -0.593 . . . . 2.4300000000000002 110.625 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.56 -48.56 78.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.924 -0.58 . . . . 1.22 110.205 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.538 ' HG ' HD22 ' A' ' 5' ' ' LEU . 5.4 tt -61.05 -51.17 70.33 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.879 -0.6 . . . . 1.1200000000000001 109.966 178.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -56.23 -42.06 76.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.241 -0.436 . . . . 1.4299999999999999 111.564 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.74 -54.0 48.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 1.6599999999999999 111.433 -177.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 43.8 mt -68.51 -33.11 58.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.375 -0.375 . . . . 0.40999999999999998 111.034 -176.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -68.48 -44.36 74.94 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.859 -0.336 . . . . 1.6699999999999999 110.23 176.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.16 -33.51 87.44 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.203 -0.522 . . . . 0.54000000000000004 112.61 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.3 -39.31 78.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.72999999999999998 110.557 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.3 mt -74.19 -37.9 63.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.031 -0.531 . . . . 0.87 111.514 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.1 -7.42 22.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 1.05 111.993 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -88.33 -9.59 52.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.099 0.476 . . . . 2.6699999999999999 110.493 -178.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -118.43 161.73 19.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.011 -0.54 . . . . 2.4500000000000002 110.645 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.17 -0.919 . . . . 3.8199999999999998 111.448 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SXO . . . . . 0.732 ' H4A' ' HG ' ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 109.81 -0.441 . . . . 5.0199999999999996 109.81 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.58 166.46 23.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.361 -0.381 . . . . 2.3199999999999998 110.865 -176.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.5 t -73.0 129.3 37.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.2 -0.454 . . . . 2.1000000000000001 109.798 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.7 mt -143.5 -178.59 5.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.088 -0.505 . . . . 0.88 109.718 -173.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.823 HD22 ' HG ' ' A' ' 75' ' ' LEU . 4.1 tt -84.39 122.71 29.32 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.513 -0.551 . . . . 1.0 109.513 -177.079 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.452 ' H ' ' HB2' ' A' ' 9' ' ' ASP . 38.9 p -111.11 165.97 11.45 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.927 -0.397 . . . . 1.21 109.927 178.319 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.491 HG23 HD11 ' A' ' 31' ' ' LEU . 3.4 m -56.99 -40.39 76.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 1.3 110.839 175.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -70.71 -39.86 73.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.187 -0.461 . . . . 2.1899999999999999 111.011 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.452 ' HB2' ' H ' ' A' ' 6' ' ' THR . 3.9 m-20 -62.08 -42.77 99.55 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 120.874 0.369 . . . . 1.1200000000000001 110.196 176.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.463 ' HB2' HD21 ' A' ' 5' ' ' LEU . 44.0 tp -63.62 -46.03 87.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.978 -0.555 . . . . 1.0800000000000001 110.024 177.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -54.91 -53.27 57.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.753 -0.658 . . . . 2.1699999999999999 111.115 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -66.83 -29.62 69.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.308 -0.406 . . . . 3.6600000000000001 110.923 -175.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.73 -45.98 90.19 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.432 -0.349 . . . . 0.48999999999999999 110.791 -178.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.568 HD13 HG21 ' A' ' 48' ' ' THR . 4.5 mm? -62.44 -43.52 98.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.078 0.466 . . . . 0.79000000000000004 110.819 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 67.9 t -66.11 -56.19 15.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.704 -0.68 . . . . 0.70999999999999996 111.339 -177.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -76.14 -9.17 58.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.415 . . . . 1.49 111.926 -173.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.2 t -80.44 -40.72 25.79 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.986 -0.376 . . . . 1.25 109.986 174.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.49 -45.71 10.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.989 -0.55 . . . . 1.6799999999999999 111.139 -178.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.55 79.81 1.48 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.535 -0.84 . . . . 2.1400000000000001 111.947 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -60.33 122.6 14.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.925 0.393 . . . . 5.4699999999999998 111.228 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -131.72 28.28 4.58 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.792 0.806 . . . . 4.4699999999999998 109.736 174.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -141.98 -79.16 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.382 -0.826 . . . . 4.4000000000000004 110.584 -177.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.14 86.35 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.23 0 N-CA-C 111.295 -0.722 . . . . 2.54 111.295 -178.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.7 m -104.3 104.38 14.27 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.661 0.267 . . . . 3.02 111.041 -172.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -69.23 81.97 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.051 0.453 . . . . 2.7599999999999998 110.779 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.7 tp -98.13 7.67 45.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.051 0.929 . . . . 1.6000000000000001 109.239 177.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.67 0.58 57.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.853 -1.067 . . . . 2.0800000000000001 111.195 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.08 41.65 2.59 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.955 -0.64 . . . . 1.8400000000000001 112.307 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.7 t0 71.06 156.78 0.16 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.451 0.7 . . . . 2.77 111.174 -176.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -165.45 -26.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.909 -0.587 . . . . 0.92000000000000004 111.05 -176.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.696 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 97.1 mt -55.74 -40.51 72.6 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.818 0.673 . . . . 0.78000000000000003 112.818 -174.023 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -93.2 -14.6 26.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.206 0.527 . . . . 2.29 110.875 -175.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.6 mt -86.13 146.72 26.47 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.974 -0.557 . . . . 1.23 110.212 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -71.35 149.39 46.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.525 -0.307 . . . . 2.8799999999999999 110.751 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.42 ' HA ' HG12 ' A' ' 38' ' ' ILE . 67.5 m-85 -54.48 -37.43 65.26 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.949 0.404 . . . . 0.58999999999999997 110.492 176.083 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -56.13 -30.37 62.03 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.5 -0.773 . . . . 2.6000000000000001 111.331 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -92.06 -25.08 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 2.0299999999999998 112.141 -172.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.472 HG13 ' HD2' ' A' ' 40' ' ' TYR . 26.2 pt -87.34 21.97 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.589 -0.445 . . . . 0.67000000000000004 111.844 -176.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.64 17.17 80.22 Favored Glycine 0 CA--C 1.52 0.356 0 CA-C-N 115.928 -0.578 . . . . 0.62 114.085 172.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.472 ' HD2' HG13 ' A' ' 38' ' ' ILE . 57.5 m-85 -107.48 115.41 30.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.55 0.675 . . . . 0.70999999999999996 111.034 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -73.52 161.38 30.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.638 -0.71 . . . . 1.9299999999999999 110.024 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.711 ' HB2' ' H28' ' A' ' 87' ' ' SXO . 0.0 OUTLIER -50.51 -44.06 55.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 123.438 0.461 . . . . 0.91000000000000003 111.984 178.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.499 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 63.0 tp -57.28 -57.83 10.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 1.3200000000000001 110.868 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.69 -28.65 70.09 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.188 0.518 . . . . 0.46999999999999997 111.189 -177.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.3 tp -64.65 -51.08 64.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.946 -0.57 . . . . 0.75 110.769 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.9 ptt? -72.68 -24.28 61.0 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.821 -0.351 . . . . 1.26 111.153 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 9.9 mm-40 -63.08 -45.9 89.96 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.583 0.706 . . . . 2.2000000000000002 109.536 175.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.568 HG21 HD13 ' A' ' 14' ' ' LEU . 35.6 m -63.36 -29.25 70.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.215 -0.902 . . . . 0.54000000000000004 111.592 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.442 ' HB1' HD12 ' A' ' 60' ' ' ILE . . . -57.53 -41.7 81.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.904 0.383 . . . . 0.46000000000000002 111.398 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.22 -29.35 70.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.747 -0.66 . . . . 0.48999999999999999 110.827 -177.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 51' ' ' ARG . 8.5 mmm180 -72.06 -36.75 69.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.569 -0.741 . . . . 2.8599999999999999 110.447 -177.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.7 mt -67.71 -47.18 70.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.973 0.416 . . . . 0.56000000000000005 110.114 178.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.458 ' OE2' ' HA ' ' A' ' 59' ' ' SER . 55.2 mt-10 -59.04 -47.62 84.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.566 -0.743 . . . . 0.51000000000000001 110.499 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.1 m -65.4 -30.95 71.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.251 -0.431 . . . . 1.4199999999999999 111.705 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -71.71 -53.62 12.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 2.4199999999999999 110.503 -177.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.403 ' OH ' ' HA ' ' A' ' 5' ' ' LEU . 87.9 m-85 -93.74 -8.79 39.74 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.139 0.422 . . . . 1.0800000000000001 112.139 -172.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.45 34.82 49.3 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.33 -0.938 . . . . 0.57999999999999996 111.156 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.45 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 21.7 m -112.2 -173.75 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.039 0.447 . . . . 0.45000000000000001 110.884 -176.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.458 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 8.2 t -146.93 138.14 24.06 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.95 -0.759 . . . . 1.6200000000000001 108.95 170.175 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.442 HD12 ' HB1' ' A' ' 49' ' ' ALA . 67.6 mt -90.86 118.87 68.92 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.232 -0.44 . . . . 0.59999999999999998 110.072 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.431 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 52.5 Cg_exo -52.95 120.64 7.98 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.718 2.278 . . . . 0.81000000000000005 112.317 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -56.87 -38.51 72.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.387 -0.824 . . . . 1.99 112.348 -175.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -78.92 -40.04 33.12 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.353 0.597 . . . . 2.4399999999999999 110.478 -177.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.431 ' HB ' ' HB2' ' A' ' 61' ' ' PRO . 21.9 t -76.02 -27.03 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.922 -0.581 . . . . 1.1399999999999999 111.544 -176.381 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.565 ' HB1' ' H3A' ' A' ' 87' ' ' SXO . . . -61.24 -37.2 82.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.359 . . . . 0.68000000000000005 111.108 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.54 9.74 41.01 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.724 -0.671 . . . . 0.77000000000000002 112.702 -178.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -100.52 -16.62 17.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.618 0.246 . . . . 3.6299999999999999 110.818 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 65' ' ' ALA . 18.9 m -96.2 159.78 2.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 120.898 0.38 . . . . 0.94999999999999996 111.352 -176.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -143.68 -1.4 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.785 -0.643 . . . . 1.75 110.345 174.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 p -135.53 136.86 24.72 Favored Pre-proline 0 N--CA 1.449 -0.482 0 CA-C-N 115.855 -0.611 . . . . 0.5 111.314 -173.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.696 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 89.8 Cg_exo -50.53 -40.77 54.37 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 124.051 3.167 . . . . 0.38 113.619 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -54.0 -52.13 61.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.954 0.406 . . . . 3.5600000000000001 111.281 -178.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -64.83 -31.23 72.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.945 -0.57 . . . . 2.4300000000000002 111.364 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.24 -43.85 76.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.137 -0.483 . . . . 1.22 110.097 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.823 ' HG ' HD22 ' A' ' 5' ' ' LEU . 8.8 tt -58.49 -55.98 27.99 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.905 -0.589 . . . . 1.1200000000000001 110.666 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.11 -26.98 67.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.224 -0.444 . . . . 1.4299999999999999 111.555 -178.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.7 tp -64.11 -52.68 58.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.657 0.265 . . . . 1.6599999999999999 111.178 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.7 mt -67.54 -44.16 86.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.40999999999999998 110.628 -177.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -64.87 -32.25 73.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.411 -0.359 . . . . 1.6699999999999999 111.388 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.08 -35.46 91.51 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.522 -0.847 . . . . 0.54000000000000004 111.918 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.45 -30.43 61.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.103 0.478 . . . . 0.72999999999999998 110.764 177.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.402 HD21 ' CG1' ' A' ' 58' ' ' VAL . 94.4 mt -72.52 -42.25 65.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.837 -0.62 . . . . 0.87 110.869 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.17 -21.0 66.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.054 0.454 . . . . 1.05 110.965 177.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -63.99 -24.26 67.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.85 -0.614 . . . . 2.6699999999999999 110.397 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.52 21.34 15.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.674 -0.693 . . . . 2.4500000000000002 111.131 -178.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.193 -0.908 . . . . 3.8199999999999998 110.449 -178.412 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SXO . . . . . 0.711 ' H28' ' HB2' ' A' ' 42' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.7 ttp . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 121.421 0.629 . . . . 5.0199999999999996 110.317 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.05 123.0 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.248 -0.887 . . . . 2.3199999999999998 109.363 -177.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 p -73.76 105.43 5.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.166 0.508 . . . . 2.1000000000000001 111.531 -177.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.3 mt -78.12 -174.98 3.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.304 -0.862 . . . . 0.88 109.899 175.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.689 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 2.3 tt -80.4 121.76 26.11 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.932 -1.136 . . . . 1.0 107.932 176.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -121.35 159.26 26.46 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.194 -0.298 . . . . 1.21 110.194 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.456 ' CG2' HD11 ' A' ' 31' ' ' LEU . 3.1 m -55.77 -33.53 64.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.973 -0.558 . . . . 1.3 111.649 -177.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.35 -60.91 3.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.823 -0.626 . . . . 2.1899999999999999 110.539 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -67.12 -29.47 69.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.192 -0.913 . . . . 1.1200000000000001 111.434 -178.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.21 -44.16 97.71 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.819 -0.437 . . . . 1.0800000000000001 109.819 176.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -56.29 -32.43 64.58 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.609 -0.723 . . . . 2.1699999999999999 111.097 176.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -77.48 -42.37 36.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 3.6600000000000001 111.555 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.73 -37.63 82.4 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.155 0.428 . . . . 0.48999999999999999 112.155 -173.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.406 ' HB3' ' OH ' ' A' ' 40' ' ' TYR . 4.5 mm? -63.36 -37.12 86.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.102 0.477 . . . . 0.79000000000000004 110.706 177.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.1 t -73.2 -39.65 56.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.004 0.431 . . . . 0.70999999999999996 110.036 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -61.38 -37.94 85.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.905 -0.589 . . . . 1.49 111.169 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.807 ' HB3' ' HG3' ' A' ' 51' ' ' ARG . 18.4 p -78.01 -39.88 40.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.577 0.227 . . . . 1.25 111.219 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.1 -57.88 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.946 0.403 . . . . 1.6799999999999999 110.77 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.28 -16.97 54.59 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.916 -0.659 . . . . 2.1400000000000001 112.718 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -95.5 145.88 24.85 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.185 -0.302 . . . . 5.4699999999999998 110.185 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.38 29.57 4.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.075 -0.512 . . . . 4.4699999999999998 110.852 -174.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -87.56 -70.41 0.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.336 -0.393 . . . . 4.4000000000000004 111.253 -175.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.36 -4.73 25.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.292 -0.956 . . . . 2.54 111.896 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.1 p -88.85 71.05 8.67 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.026 0.38 . . . . 3.02 112.026 -178.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.34 133.28 47.5 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.374 -0.602 . . . . 2.7599999999999998 109.374 175.141 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mp -108.58 42.57 1.37 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.914 -0.585 . . . . 1.6000000000000001 110.103 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.1 t -70.7 -26.81 63.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 2.0800000000000001 110.168 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -103.81 -162.84 25.0 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.885 -0.674 . . . . 1.8400000000000001 111.833 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -81.34 131.18 35.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.811 0.339 . . . . 2.77 110.327 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -117.42 -22.98 7.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.971 -0.559 . . . . 0.92000000000000004 111.045 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.7 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 3.8 mp -60.18 -30.11 69.13 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 112.299 0.481 . . . . 0.78000000000000003 112.299 -176.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -89.29 -19.6 25.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.178 0.513 . . . . 2.29 110.891 -174.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.5 mt -88.99 151.43 22.3 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.741 -0.663 . . . . 1.23 109.67 177.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.453 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 93.0 mtt180 -73.02 153.96 40.68 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.231 -0.293 . . . . 2.8799999999999999 110.291 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -55.55 -52.51 63.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.719 0.295 . . . . 0.58999999999999997 111.44 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.486 ' CD ' ' H ' ' A' ' 36' ' ' GLU . 1.2 mp0 -60.62 -22.44 63.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.3 0.572 . . . . 2.6000000000000001 110.651 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -82.79 -32.47 27.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.72 -0.673 . . . . 2.0299999999999998 109.82 -174.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.436 HG13 ' HD2' ' A' ' 40' ' ' TYR . 14.4 pt -91.86 14.66 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.302 -0.408 . . . . 0.67000000000000004 111.549 176.096 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.94 20.44 61.14 Favored Glycine 0 CA--C 1.516 0.137 0 C-N-CA 121.021 -0.609 . . . . 0.62 113.632 174.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.436 ' HD2' HG13 ' A' ' 38' ' ' ILE . 55.1 m-85 -108.52 103.57 12.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.192 0.52 . . . . 0.70999999999999996 110.604 176.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -88.57 -172.67 3.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.445 -0.798 . . . . 1.9299999999999999 110.55 -175.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.7 p -52.56 -55.3 23.19 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.378 0.671 . . . . 0.91000000000000003 112.161 -173.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' A' ' 46' ' ' MET . 59.9 tp -61.16 -46.3 91.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.833 -0.621 . . . . 1.3200000000000001 111.452 -176.362 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.43 -36.82 85.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.116 0.484 . . . . 0.46999999999999997 110.979 -178.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.3 tp -67.62 -46.64 71.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.875 -0.602 . . . . 0.75 111.103 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.496 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 5.2 ppp? -66.65 -34.52 78.05 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.119 -0.232 . . . . 1.26 111.176 -176.213 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.45 -35.23 79.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.942 0.401 . . . . 2.2000000000000002 110.718 175.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 53.1 m -63.22 -32.49 73.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.985 -0.552 . . . . 0.54000000000000004 111.045 178.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.48 -48.82 76.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.325 -0.398 . . . . 0.46000000000000002 110.507 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.81 -26.21 68.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.388 0.613 . . . . 0.48999999999999999 110.723 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.807 ' HG3' ' HB3' ' A' ' 17' ' ' SER . 3.9 mmp_? -72.3 -35.73 68.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.683 -0.689 . . . . 2.8599999999999999 110.974 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.552 HD22 HD11 ' A' ' 5' ' ' LEU . 77.8 mt -83.64 -47.95 10.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.584 -0.28 . . . . 0.56000000000000005 111.554 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.486 ' HA ' HG22 ' A' ' 58' ' ' VAL . 52.5 mt-10 -59.44 -55.51 33.77 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.292 -0.413 . . . . 0.51000000000000001 111.902 -174.629 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.5 m -66.14 -20.75 66.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.888 0.375 . . . . 1.4199999999999999 111.578 -177.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 51' ' ' ARG . 42.8 ttt180 -81.3 -47.56 13.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.117 -0.492 . . . . 2.4199999999999999 111.15 -175.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.689 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 99.1 m-85 -100.47 -9.33 22.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.169 -0.469 . . . . 1.0800000000000001 111.845 -175.315 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.42 50.86 7.82 Favored Glycine 0 N--CA 1.453 -0.175 0 C-N-CA 120.639 -0.791 . . . . 0.57999999999999996 112.141 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.486 HG22 ' HA ' ' A' ' 53' ' ' GLU . 34.2 m -121.67 -171.81 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.985 0.422 . . . . 0.45000000000000001 111.016 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.0 m -147.81 117.53 7.1 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.19 -0.67 . . . . 1.6200000000000001 109.19 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.1 mt -90.08 123.01 67.07 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.831 0.348 . . . . 0.59999999999999998 110.92 -176.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.425 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 48.1 Cg_exo -56.26 128.88 31.98 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.306 2.671 . . . . 0.81000000000000005 112.821 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -56.56 -53.04 62.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.485 -0.78 . . . . 1.99 112.375 -175.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -79.71 -29.96 40.86 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.865 -0.334 . . . . 2.4399999999999999 111.583 -171.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.425 ' HB ' ' HB2' ' A' ' 61' ' ' PRO . 45.4 t -72.71 -36.37 52.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.065 0.459 . . . . 1.1399999999999999 110.17 -179.226 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.698 ' HB1' ' H6 ' ' A' ' 87' ' ' SXO . . . -64.8 -15.45 61.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.948 -0.569 . . . . 0.68000000000000005 111.918 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.4 -11.85 65.97 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.483 -0.865 . . . . 0.77000000000000002 112.28 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -97.88 -7.77 29.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.649 0.262 . . . . 3.6299999999999999 111.229 -176.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.4 m -90.16 106.65 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.732 0.777 . . . . 0.94999999999999996 110.689 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.453 ' O ' ' HA ' ' A' ' 34' ' ' ARG . 12.7 p-10 -91.61 -13.44 31.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.502 -0.772 . . . . 1.75 110.27 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.3 p -130.42 140.55 39.01 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.783 -0.644 . . . . 0.5 110.761 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.7 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 46.6 Cg_exo -57.38 -23.6 55.95 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 123.095 2.53 . . . . 0.38 112.222 176.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -51.44 -55.55 18.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.715 -0.675 . . . . 3.5600000000000001 110.645 178.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -66.87 -38.21 85.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.641 -0.709 . . . . 2.4300000000000002 111.545 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.488 HD11 ' H7A' ' A' ' 87' ' ' SXO . 1.7 tt -60.27 -51.54 69.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.327 -0.397 . . . . 1.22 110.227 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.449 ' CD1' HD22 ' A' ' 5' ' ' LEU . 46.8 tp -59.65 -47.27 86.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.369 -0.378 . . . . 1.1200000000000001 110.451 178.074 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -56.0 -41.51 74.99 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.798 -0.637 . . . . 1.4299999999999999 110.78 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.1 tp -61.81 -56.19 22.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.458 -0.792 . . . . 1.6599999999999999 111.31 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 65.9 mt -61.54 -41.48 90.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.425 . . . . 0.40999999999999998 111.006 -176.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.438 HD22 ' HA ' ' A' ' 79' ' ' ASN . 8.9 m120 -58.92 -48.82 80.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.363 -0.381 . . . . 1.6699999999999999 110.922 176.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.68 -34.4 89.53 Favored Glycine 0 C--N 1.329 0.152 0 C-N-CA 121.042 -0.599 . . . . 0.54000000000000004 112.491 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.36 -32.58 70.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.042 0.449 . . . . 0.72999999999999998 110.599 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.6 mt -79.73 -25.61 41.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.96 -0.564 . . . . 0.87 110.797 178.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.39 -32.77 74.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.044 -0.526 . . . . 1.05 111.434 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -95.62 3.0 54.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.281 -0.418 . . . . 2.6699999999999999 110.978 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.26 114.75 21.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.882 0.372 . . . . 2.4500000000000002 110.999 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.378 -0.82 . . . . 3.8199999999999998 109.784 177.41 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SXO . . . . . 0.698 ' H6 ' ' HB1' ' A' ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.843 0.354 . . . . 5.0199999999999996 110.387 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.04 170.69 7.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.205 -0.452 . . . . 2.3199999999999998 110.69 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 p -74.74 106.94 6.53 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.102 -0.499 . . . . 2.1000000000000001 110.546 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.2 mt -77.17 170.68 16.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.286 -0.415 . . . . 0.88 110.756 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.731 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -80.93 125.17 29.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 1.0 109.736 -177.379 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.5 p -107.34 167.76 9.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.97 0.415 . . . . 1.21 111.409 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.522 HG22 HD11 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -58.04 -56.43 22.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.821 -0.627 . . . . 1.3 112.53 178.716 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -63.02 -32.32 73.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.162 -0.472 . . . . 2.1899999999999999 111.537 -176.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -63.02 -48.15 79.98 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.153 -0.684 . . . . 1.1200000000000001 109.153 176.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.466 HD21 ' HB3' ' A' ' 71' ' ' PRO . 54.9 tp -60.09 -43.58 95.42 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.181 -0.918 . . . . 1.0800000000000001 110.306 177.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 11' ' ' ARG . 38.1 ttm180 -53.0 -40.82 64.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 2.1699999999999999 110.878 178.1 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -70.37 -33.38 71.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.447 -0.342 . . . . 3.6600000000000001 111.156 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.79 88.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.375 -0.375 . . . . 0.48999999999999999 110.979 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.549 ' HB3' ' OH ' ' A' ' 40' ' ' TYR . 3.6 mm? -65.02 -41.33 95.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.922 0.392 . . . . 0.79000000000000004 110.195 176.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 82.8 t -61.29 -47.56 92.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.092 -0.503 . . . . 0.70999999999999996 110.744 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.75 -17.81 61.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.453 -0.339 . . . . 1.49 111.628 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.8 m -84.1 -13.91 51.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 1.25 111.187 177.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -139.43 -84.08 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.369 -0.378 . . . . 1.6799999999999999 110.705 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.46 -11.21 46.91 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.618 -0.801 . . . . 2.1400000000000001 113.02 176.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -95.22 135.13 37.17 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.899 -0.408 . . . . 5.4699999999999998 109.899 -178.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 m -103.97 72.41 1.09 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.224 0.535 . . . . 4.4699999999999998 110.019 -178.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.89 -49.95 66.25 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.198 -0.91 . . . . 4.4000000000000004 111.3 -178.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 168.78 54.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 111.563 -0.615 . . . . 2.54 111.563 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.2 m -126.42 116.75 21.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.919 -0.141 . . . . 3.02 110.703 -174.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -73.17 72.07 1.2 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.102 0.477 . . . . 2.7599999999999998 110.864 177.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.2 tp -81.84 -9.21 59.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.194 0.521 . . . . 1.6000000000000001 110.252 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.6 p -72.72 -21.67 61.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.678 -0.692 . . . . 2.0800000000000001 110.616 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -103.67 -101.77 2.68 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.872 -0.68 . . . . 1.8400000000000001 112.492 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -96.45 160.18 14.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.864 0.364 . . . . 2.77 110.622 -174.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -176.44 -32.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.414 -0.812 . . . . 0.92000000000000004 109.812 -175.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.582 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 29.0 mt -55.91 -49.03 74.58 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 113.755 1.02 . . . . 0.78000000000000003 113.755 -175.095 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -93.95 -0.11 55.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.299 0.571 . . . . 2.29 111.049 -170.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.7 mt -87.7 140.31 29.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.91 -0.586 . . . . 1.23 109.864 175.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.436 ' HB3' ' OE1' ' A' ' 36' ' ' GLU . 79.9 mtm180 -70.63 158.55 35.99 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.776 -0.453 . . . . 2.8799999999999999 109.776 178.535 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -57.15 -40.82 78.0 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.565 -0.288 . . . . 0.58999999999999997 111.539 -178.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.436 ' OE1' ' HB3' ' A' ' 34' ' ' ARG . 3.0 pm0 -64.64 -26.48 68.41 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.635 -0.257 . . . . 2.6000000000000001 111.608 175.057 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -82.07 -28.57 32.31 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 120.929 0.395 . . . . 2.0299999999999998 110.144 -175.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.49 HG13 ' HD1' ' A' ' 40' ' ' TYR . 21.2 pt -90.49 3.68 6.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.67000000000000004 111.028 176.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.31 49.45 20.41 Favored Glycine 0 C--N 1.332 0.324 0 CA-C-N 115.964 -0.562 . . . . 0.62 114.097 173.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.549 ' OH ' ' HB3' ' A' ' 14' ' ' LEU . 37.7 m-85 -118.9 122.98 43.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.421 0.61 . . . . 0.70999999999999996 111.509 177.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -71.67 166.61 21.56 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.288 -0.869 . . . . 1.9299999999999999 111.347 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.4 p -53.9 -51.27 64.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.848 -0.615 . . . . 0.91000000000000003 110.896 175.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.509 ' O ' ' HG3' ' A' ' 46' ' ' MET . 33.6 tp -59.63 -40.16 86.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.41 -0.814 . . . . 1.3200000000000001 111.428 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.33 -41.68 89.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.144 0.497 . . . . 0.46999999999999997 110.59 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.422 ' HG ' ' H7 ' ' A' ' 87' ' ' SXO . 59.4 tp -63.79 -39.03 93.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.509 -0.769 . . . . 0.75 111.968 -175.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.509 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 5.1 ppp? -69.16 -32.22 71.4 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.784 -0.367 . . . . 1.26 110.718 -179.467 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.59 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 30.0 mm-40 -67.07 -38.85 86.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.608 -0.269 . . . . 2.2000000000000002 110.619 173.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.2 m -57.63 -41.0 80.47 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.163 -0.471 . . . . 0.54000000000000004 110.81 177.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.587 ' HB2' ' H7A' ' A' ' 87' ' ' SXO . . . -57.22 -49.15 76.9 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.049 -0.523 . . . . 0.46000000000000002 110.414 176.205 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.69 -33.21 73.59 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.557 -0.747 . . . . 0.48999999999999999 111.0 -177.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.59 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 4.8 mmp_? -57.71 -45.25 85.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.473 -0.785 . . . . 2.8599999999999999 110.552 178.051 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.479 HD22 HD11 ' A' ' 5' ' ' LEU . 70.9 mt -75.09 -45.76 39.15 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.946 -0.57 . . . . 0.56000000000000005 111.059 -176.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 46.8 mt-10 -56.46 -49.49 74.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.885 -0.598 . . . . 0.51000000000000001 110.948 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.2 t -63.74 -35.98 82.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.954 -0.566 . . . . 1.4199999999999999 111.508 -176.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -76.68 -50.04 14.66 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.864 0.32 . . . . 2.4199999999999999 111.864 -174.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.731 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 89.8 m-85 -93.08 -1.8 56.16 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.249 0.462 . . . . 1.0800000000000001 112.249 -172.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.48 34.62 79.73 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.257 -0.973 . . . . 0.57999999999999996 111.531 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.8 m -111.74 -169.17 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.61 -0.295 . . . . 0.45000000000000001 110.523 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 t -157.66 138.04 12.78 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.718 -0.845 . . . . 1.6200000000000001 108.718 174.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.8 mt -95.45 112.44 58.84 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 116.192 -0.458 . . . . 0.59999999999999998 110.16 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -61.05 117.74 4.55 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.155 1.903 . . . . 0.81000000000000005 111.493 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -66.97 -6.85 18.45 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.471 0.545 . . . . 1.99 112.471 -175.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -78.02 -56.73 4.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.178 0.513 . . . . 2.4399999999999999 110.364 174.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.4 t -78.83 -12.68 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.998 -0.546 . . . . 1.1399999999999999 110.962 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.495 ' O ' HG12 ' A' ' 68' ' ' VAL . . . -62.12 -38.72 90.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.68000000000000005 111.792 -178.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.03 38.08 2.71 Favored Glycine 0 C--N 1.321 -0.258 0 C-N-CA 120.72 -0.753 . . . . 0.77000000000000002 112.153 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -144.77 31.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.896 0.379 . . . . 3.6299999999999999 110.309 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 65' ' ' ALA . 7.3 p -132.87 126.08 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.178 -0.465 . . . . 0.94999999999999996 110.263 -178.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -94.08 -43.17 8.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.178 -0.464 . . . . 1.75 111.437 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.558 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 77.0 p -125.98 149.58 66.65 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.953 0.406 . . . . 0.5 112.007 -172.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.582 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 72.1 Cg_exo -47.22 -38.87 26.3 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.763 2.975 . . . . 0.38 112.931 173.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.475 ' HG2' HD13 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -56.09 -41.37 75.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 3.5600000000000001 110.966 -179.692 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.45 ' HB2' HG23 ' A' ' 68' ' ' VAL . 34.2 mt-10 -68.29 -50.37 54.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.973 -0.558 . . . . 2.4300000000000002 110.285 175.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.29 -46.63 65.99 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.173 -0.921 . . . . 1.22 111.137 -178.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.7 tp -54.83 -54.81 37.51 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.228 -0.896 . . . . 1.1200000000000001 110.983 -177.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -64.32 -37.42 87.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.958 -0.565 . . . . 1.4299999999999999 111.06 -176.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.7 tp -63.25 -47.31 82.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.005 -0.543 . . . . 1.6599999999999999 111.147 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 70.6 mt -65.04 -37.82 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 0.40999999999999998 110.683 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -60.8 -42.04 96.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 1.6699999999999999 110.541 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.96 -40.66 99.17 Favored Glycine 0 C--N 1.331 0.269 0 CA-C-N 116.109 -0.496 . . . . 0.54000000000000004 112.468 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.49 68.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.16 0.505 . . . . 0.72999999999999998 111.197 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.75 -29.41 45.16 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.726 -0.67 . . . . 0.87 110.671 -177.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.42 -27.5 69.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.301 -0.408 . . . . 1.05 112.006 -177.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -96.3 0.83 51.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.875 0.369 . . . . 2.6699999999999999 111.118 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -87.59 -34.12 18.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.8 0.333 . . . . 2.4500000000000002 111.077 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.517 -0.754 . . . . 3.8199999999999998 110.904 -177.71 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SXO . . . . . 0.671 ' H30' HN36 ' A' ' 87' ' ' SXO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 111.648 0.24 . . . . 5.0199999999999996 111.648 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.55 153.84 17.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 2.3199999999999998 111.185 -175.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -101.66 104.55 15.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.643 0.735 . . . . 2.1000000000000001 110.319 177.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.4 mt -84.92 176.48 8.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.559 -0.746 . . . . 0.88 110.799 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.557 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 1.8 tt -84.95 122.27 28.96 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.188 -1.041 . . . . 1.0 108.188 174.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.43 165.45 11.39 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.36 0.504 . . . . 1.21 112.36 -174.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.474 HG22 HD11 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -57.7 -57.65 11.81 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.599 0.592 . . . . 1.3 112.599 -178.46 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -62.11 -39.94 94.23 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.076 0.465 . . . . 2.1899999999999999 110.702 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.468 ' HB3' ' OH ' ' A' ' 56' ' ' TYR . 5.1 m-20 -67.99 -27.92 66.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.825 -0.625 . . . . 1.1200000000000001 111.186 178.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.4 tp -70.43 -41.76 72.46 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.353 -0.61 . . . . 1.0800000000000001 109.353 173.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.805 ' HG3' ' HG ' ' A' ' 26' ' ' LEU . 39.2 ttp180 -55.46 -43.92 75.93 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 109.385 -0.598 . . . . 2.1699999999999999 109.385 173.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.529 ' HB3' ' OE2' ' A' ' 16' ' ' GLU . 53.6 mtp180 -57.69 -39.57 77.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.154 -0.93 . . . . 3.6600000000000001 111.479 175.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.72 -41.63 91.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.957 -0.565 . . . . 0.48999999999999999 111.728 -173.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.6 mm? -62.74 -48.59 78.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.771 0.319 . . . . 0.79000000000000004 110.532 178.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 52.1 t -63.37 -51.05 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.688 -0.687 . . . . 0.70999999999999996 110.699 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.529 ' OE2' ' HB3' ' A' ' 12' ' ' ARG . 53.1 mt-10 -64.61 -19.19 65.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.961 -0.563 . . . . 1.49 112.443 -176.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.426 ' OG ' ' HA ' ' A' ' 48' ' ' THR . 49.6 m -90.17 -63.0 1.34 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.179 0.437 . . . . 1.25 112.179 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.01 -53.44 6.43 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.705 0.288 . . . . 1.6799999999999999 111.553 -174.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.47 4.51 30.44 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.018 -1.087 . . . . 2.1400000000000001 113.178 177.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -72.95 119.2 16.86 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.11 -0.7 . . . . 5.4699999999999998 109.11 175.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.4 p -80.32 -115.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.964 -0.562 . . . . 4.4699999999999998 111.867 -174.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.68 77.26 2.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.972 0.415 . . . . 4.4000000000000004 110.286 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.48 -43.64 2.91 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.837 -0.62 . . . . 2.54 112.275 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.3 t -158.09 -168.85 2.61 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.121 -0.325 . . . . 3.02 110.121 -178.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.48 76.88 10.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.286 0.565 . . . . 2.7599999999999998 111.362 -177.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.805 ' HG ' ' HG3' ' A' ' 11' ' ' ARG . 38.2 tp -83.55 -14.6 51.83 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.861 -0.609 . . . . 1.6000000000000001 110.069 178.589 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.5 m -87.87 -9.27 54.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.905 -0.589 . . . . 2.0800000000000001 111.121 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.94 -136.39 8.46 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.938 -0.648 . . . . 1.8400000000000001 111.974 178.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -81.04 59.5 3.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.765 0.317 . . . . 2.77 110.835 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -65.96 -29.94 70.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.233 0.539 . . . . 0.92000000000000004 109.971 -178.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.647 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 92.1 mt -57.49 -23.84 52.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.505 -0.77 . . . . 0.78000000000000003 111.728 176.189 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -94.85 -22.85 17.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 2.29 111.053 -172.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -90.53 150.96 21.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.259 -0.428 . . . . 1.23 110.453 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.554 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . 32.0 mtt180 -72.42 156.41 39.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.946 0.403 . . . . 2.8799999999999999 111.345 177.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -55.53 -43.05 75.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.025 -0.534 . . . . 0.58999999999999997 110.623 173.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.419 ' HG2' ' HB3' ' A' ' 34' ' ' ARG . 13.2 pt-20 -61.18 -28.79 69.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.858 -0.61 . . . . 2.6000000000000001 111.557 176.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.554 ' OD2' ' HB2' ' A' ' 34' ' ' ARG . 59.7 m-20 -80.49 -29.68 37.38 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 110.332 -0.247 . . . . 2.0299999999999998 110.332 -175.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.437 HG13 ' HD1' ' A' ' 40' ' ' TYR . 22.0 pt -89.11 5.73 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.839 0.352 . . . . 0.67000000000000004 110.927 176.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.08 34.52 12.59 Favored Glycine 0 CA--C 1.519 0.316 0 CA-C-N 115.913 -0.585 . . . . 0.62 114.473 172.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.437 ' HD1' HG13 ' A' ' 38' ' ' ILE . 50.3 m-85 -118.27 121.93 41.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 117.332 0.566 . . . . 0.70999999999999996 110.738 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -93.18 -174.57 3.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.396 -0.82 . . . . 1.9299999999999999 110.778 -176.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.1 p -56.26 -47.38 78.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.989 -0.551 . . . . 0.91000000000000003 111.544 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.5 tp -64.7 -51.05 64.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.15 -0.477 . . . . 1.3200000000000001 110.626 -176.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.29 80.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.845 0.355 . . . . 0.46999999999999997 110.566 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.0 tp -65.64 -45.81 81.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.101 -0.5 . . . . 0.75 110.975 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.8 ptm -68.89 -34.94 76.24 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.994 -0.283 . . . . 1.26 111.056 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.14 -36.46 83.18 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.867 0.365 . . . . 2.2000000000000002 110.514 175.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.426 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 50.3 m -63.01 -40.05 96.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.54000000000000004 110.562 175.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -56.55 -49.67 74.13 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.07 -0.514 . . . . 0.46000000000000002 111.063 176.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.12 -27.25 65.42 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.766 -0.652 . . . . 0.48999999999999999 111.516 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -76.18 -29.66 57.76 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.951 -0.568 . . . . 2.8599999999999999 110.2 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.8 mt -82.24 -39.41 23.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.085 -0.507 . . . . 0.56000000000000005 111.116 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 51.3 mt-10 -55.9 -57.89 10.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.758 -0.655 . . . . 0.51000000000000001 111.692 -176.507 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.2 p -68.88 -27.15 65.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.184 -0.462 . . . . 1.4199999999999999 111.97 -177.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -77.75 -44.0 29.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.192 -0.458 . . . . 2.4199999999999999 111.213 -174.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.557 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 90.1 m-85 -105.85 -2.09 23.48 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.815 0.302 . . . . 1.0800000000000001 111.815 -174.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.16 52.33 6.29 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.762 -0.732 . . . . 0.57999999999999996 113.055 176.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.472 HG23 ' HA ' ' A' ' 53' ' ' GLU . 2.5 m -132.88 -176.26 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.133 0.492 . . . . 0.45000000000000001 111.398 177.129 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.8 t -145.13 116.61 8.05 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.983 -1.117 . . . . 1.6200000000000001 107.983 177.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.484 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 91.4 mt -97.79 111.16 58.23 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-O 121.041 0.448 . . . . 0.59999999999999998 110.987 -172.189 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 5.7 Cg_exo -75.89 149.62 33.42 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.579 2.853 . . . . 0.81000000000000005 113.154 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.12 -51.47 69.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.382 -0.827 . . . . 1.99 111.858 -175.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -72.58 -29.63 63.69 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.906 -0.588 . . . . 2.4399999999999999 110.988 -171.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.737 HG12 HD21 ' A' ' 77' ' ' LEU . 43.8 t -78.35 -40.62 25.27 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 116.178 -0.464 . . . . 1.1399999999999999 110.311 178.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.75 -45.85 81.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.995 -0.548 . . . . 0.68000000000000005 111.624 -176.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.91 37.18 1.47 Allowed Glycine 0 CA--C 1.52 0.357 0 CA-C-N 115.811 -0.631 . . . . 0.77000000000000002 113.159 -175.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -133.39 6.47 3.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.964 0.411 . . . . 3.6299999999999999 110.577 177.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.506 HG21 HD23 ' A' ' 74' ' ' LEU . 34.6 m -93.53 -180.0 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.94999999999999996 109.823 174.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -145.05 -55.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.026 0.441 . . . . 1.75 109.966 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.9 p -108.43 159.47 30.66 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.942 -0.572 . . . . 0.5 110.854 177.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.647 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 87.9 Cg_exo -51.48 -33.28 46.62 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.237 2.625 . . . . 0.38 112.562 175.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -52.29 -53.62 41.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.946 -0.57 . . . . 3.5600000000000001 110.646 176.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -64.31 -44.0 92.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.328 -0.851 . . . . 2.4300000000000002 110.417 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.506 HD23 HG21 ' A' ' 68' ' ' VAL . 2.7 tm? -60.59 -47.2 87.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.543 -0.753 . . . . 1.22 110.709 -178.348 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 41.5 tp -58.06 -51.87 67.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.256 -0.429 . . . . 1.1200000000000001 110.952 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -64.92 -33.78 76.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.972 -0.558 . . . . 1.4299999999999999 111.424 -176.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.737 HD21 HG12 ' A' ' 64' ' ' VAL . 54.0 tp -61.37 -42.94 99.51 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.089 0.471 . . . . 1.6599999999999999 110.414 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 60.6 mt -79.48 -35.03 16.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.816 -0.629 . . . . 0.40999999999999998 110.433 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.408 HD22 ' HA ' ' A' ' 79' ' ' ASN . 9.1 m120 -57.87 -44.07 86.42 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.472 -0.331 . . . . 1.6699999999999999 110.522 175.384 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -54.82 -39.47 67.99 Favored Glycine 0 C--N 1.334 0.425 0 CA-C-N 115.998 -0.546 . . . . 0.54000000000000004 113.266 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.72 -42.52 58.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.257 0.551 . . . . 0.72999999999999998 111.14 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 34.1 mt -68.49 -27.88 66.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.92 -0.582 . . . . 0.87 111.048 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.62 -17.37 64.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.216 -0.447 . . . . 1.05 112.065 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -79.03 -13.47 59.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.599 -0.273 . . . . 2.6699999999999999 111.271 -177.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.11 132.81 50.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.426 -0.352 . . . . 2.4500000000000002 111.477 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.911 0 CA-C-N 115.642 -0.708 . . . . 3.8199999999999998 110.036 176.83 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SXO . . . . . 0.627 HN36 ' H30' ' A' ' 87' ' ' SXO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 110.127 -0.323 . . . . 5.0199999999999996 110.127 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.53 141.95 28.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.395 -0.366 . . . . 2.3199999999999998 110.71 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.5 t -85.3 109.25 18.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.276 0.56 . . . . 2.1000000000000001 110.246 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.9 154.23 33.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.856 -0.611 . . . . 0.88 111.18 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.6 tp -84.17 127.65 34.06 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.189 -0.671 . . . . 1.0 109.189 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.1 p -110.28 176.47 5.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.872 0.368 . . . . 1.21 111.557 -176.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.494 HG23 HD11 ' A' ' 31' ' ' LEU . 17.7 m -58.13 -53.23 60.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.409 -0.814 . . . . 1.3 110.784 174.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.574 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 37.9 t70 -69.64 -37.97 76.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.021 -0.536 . . . . 2.1899999999999999 111.38 -174.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -62.81 -37.73 87.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.784 0.326 . . . . 1.1200000000000001 110.338 177.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.5 tp -63.02 -46.19 88.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.097 -0.501 . . . . 1.0800000000000001 109.675 173.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.41 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 40.4 ttm180 -54.28 -29.14 46.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.483 -0.78 . . . . 2.1699999999999999 111.647 177.038 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' A' ' 8' ' ' ASP . 2.9 mmp_? -80.0 -33.99 38.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.477 -0.329 . . . . 3.6600000000000001 111.19 -178.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.56 -38.0 85.88 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.952 0.353 . . . . 0.48999999999999999 111.952 -174.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.618 HD13 HG21 ' A' ' 48' ' ' THR . 3.6 mm? -62.92 -34.17 76.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.328 -0.396 . . . . 0.79000000000000004 110.597 179.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.3 t -80.74 -37.19 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.334 -0.394 . . . . 0.70999999999999996 110.425 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 46.5 mt-10 -60.1 -36.03 76.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.017 -0.538 . . . . 1.49 110.995 177.136 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.654 ' OG ' ' HA ' ' A' ' 48' ' ' THR . 8.5 m -86.24 -56.99 3.19 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.582 -0.735 . . . . 1.25 111.756 -177.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -113.12 -71.74 0.74 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.667 0.27 . . . . 1.6799999999999999 111.517 -175.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.85 -92.25 1.33 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.796 -0.716 . . . . 2.1400000000000001 112.18 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 64.25 -171.2 0.18 Allowed 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 122.79 0.436 . . . . 5.4699999999999998 111.432 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.9 p -78.8 -164.5 0.6 Allowed 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.461 -0.336 . . . . 4.4699999999999998 110.872 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -77.55 70.93 4.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.072 0.463 . . . . 4.4000000000000004 110.92 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.09 -17.68 52.74 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 111.37 -0.692 . . . . 2.54 111.37 175.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.1 t -160.36 -176.33 5.55 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.759 -0.83 . . . . 3.02 108.759 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.62 139.48 47.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.122 0.487 . . . . 2.7599999999999998 110.642 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.8 mt -114.24 20.73 15.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.467 -0.788 . . . . 1.6000000000000001 110.152 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 35.4 p -100.6 -26.59 13.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.144 -0.48 . . . . 2.0800000000000001 110.58 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.96 -164.28 29.29 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.871 -0.68 . . . . 1.8400000000000001 112.475 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -80.85 79.03 7.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.306 0.574 . . . . 2.77 111.221 -178.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -80.32 -32.93 37.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.898 -0.592 . . . . 0.92000000000000004 111.668 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.562 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 83.1 mt -55.17 -32.88 62.51 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.202 -0.454 . . . . 0.78000000000000003 111.472 178.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -95.51 18.65 12.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.597 -0.729 . . . . 2.29 110.915 -169.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.419 ' O ' ' HD2' ' A' ' 71' ' ' PRO . 97.2 mt -140.95 159.82 41.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.534 -0.913 . . . . 1.23 108.534 178.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 94.2 mtt180 -73.15 160.27 32.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.709 0.29 . . . . 2.8799999999999999 110.371 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -56.34 -40.05 73.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.14 0.495 . . . . 0.58999999999999997 110.243 172.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -64.17 -22.52 66.97 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.9 -0.591 . . . . 2.6000000000000001 111.675 177.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -81.62 -32.39 31.99 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.787 0.327 . . . . 2.0299999999999998 110.268 -177.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.489 HG13 ' HD2' ' A' ' 40' ' ' TYR . 14.9 pt -91.75 7.53 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.27 -0.423 . . . . 0.67000000000000004 111.564 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.53 49.62 6.57 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.921 -0.581 . . . . 0.62 114.039 172.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.524 ' CE1' HD12 ' A' ' 14' ' ' LEU . 40.7 m-85 -123.93 112.88 17.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.221 0.534 . . . . 0.70999999999999996 111.573 176.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.8 161.16 31.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.893 -1.048 . . . . 1.9299999999999999 110.979 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 1.057 ' HB2' ' H28' ' A' ' 87' ' ' SXO . 0.0 OUTLIER -52.99 -47.43 68.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.806 -0.633 . . . . 0.91000000000000003 112.313 -179.06 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.584 ' O ' ' HG3' ' A' ' 46' ' ' MET . 57.7 tp -56.25 -53.98 50.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.511 -0.313 . . . . 1.3200000000000001 111.053 -178.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.03 -34.03 77.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.044 0.45 . . . . 0.46999999999999997 110.746 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.1 tp -65.48 -45.63 82.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.841 -0.618 . . . . 0.75 111.144 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.584 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 5.1 ppp? -70.61 -32.97 70.52 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.143 -0.223 . . . . 1.26 110.848 -177.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -64.13 -39.36 93.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.122 0.487 . . . . 2.2000000000000002 110.098 174.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.654 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 55.7 m -64.8 -37.16 86.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.677 -0.692 . . . . 0.54000000000000004 111.051 178.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.14 -39.16 74.64 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.229 -0.441 . . . . 0.46000000000000002 111.735 -178.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.22 -29.9 69.04 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.031 -0.531 . . . . 0.48999999999999999 110.585 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.535 ' HB2' ' O ' ' A' ' 48' ' ' THR . 25.3 mmt180 -61.71 -60.87 3.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.614 -0.721 . . . . 2.8599999999999999 110.701 177.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.45 -44.03 96.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.892 -0.594 . . . . 0.56000000000000005 111.156 -176.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.547 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 45.6 mt-10 -59.08 -57.5 12.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.51000000000000001 111.419 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.4 m -67.02 -31.87 72.7 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.812 0.301 . . . . 1.4199999999999999 111.812 -176.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -74.69 -45.95 41.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.466 -0.334 . . . . 2.4199999999999999 111.449 -175.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -100.0 -2.16 35.21 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.01 0.374 . . . . 1.0800000000000001 112.01 -175.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.98 39.65 37.47 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.739 -0.743 . . . . 0.57999999999999996 112.708 176.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.547 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 33.8 m -114.18 177.08 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.717 0.294 . . . . 0.45000000000000001 110.743 -179.025 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.413 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 50.3 m -141.51 118.03 10.91 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.024 -0.534 . . . . 1.6200000000000001 109.82 177.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.1 mt -94.78 108.63 38.87 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 109.565 -0.531 . . . . 0.59999999999999998 109.565 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 59' ' ' SER . 24.3 Cg_exo -62.99 139.84 75.8 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.6 2.2 . . . . 0.81000000000000005 111.802 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -61.36 -13.42 19.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.966 -0.561 . . . . 1.99 111.319 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -76.29 -60.59 2.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.099 -0.501 . . . . 2.4399999999999999 110.745 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.5 p -74.41 -15.76 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.25 0.548 . . . . 1.1399999999999999 111.233 -177.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.604 ' HB1' ' H5 ' ' A' ' 87' ' ' SXO . . . -61.69 -30.29 70.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.912 -0.585 . . . . 0.68000000000000005 110.979 177.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.31 30.41 8.72 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.734 -0.746 . . . . 0.77000000000000002 112.01 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -130.93 -17.22 3.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.847 0.356 . . . . 3.6299999999999999 110.946 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.749 HG21 HD23 ' A' ' 74' ' ' LEU . 16.8 m -91.62 109.15 20.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.424 0.631 . . . . 0.94999999999999996 111.472 -176.419 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.402 ' O ' ' HA ' ' A' ' 34' ' ' ARG . 10.7 p-10 -92.89 -43.04 9.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 1.75 111.051 -178.099 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.535 ' OG1' ' HG2' ' A' ' 73' ' ' GLU . 75.5 p -102.33 146.85 33.08 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.749 0.309 . . . . 0.5 111.058 179.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.562 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 82.0 Cg_exo -51.37 -34.39 50.12 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.864 2.376 . . . . 0.38 111.548 170.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -54.34 -48.57 71.26 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.262 -0.426 . . . . 3.5600000000000001 110.702 174.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.535 ' HG2' ' OG1' ' A' ' 70' ' ' THR . 20.6 mm-40 -63.47 -44.92 93.02 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.217 0.532 . . . . 2.4300000000000002 110.164 179.101 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.749 HD23 HG21 ' A' ' 68' ' ' VAL . 2.3 tm? -61.48 -50.91 70.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.218 -0.901 . . . . 1.22 110.694 -177.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.3 tp -58.71 -48.83 79.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.858 -0.61 . . . . 1.1200000000000001 110.721 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -56.52 -42.01 77.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 1.4299999999999999 111.279 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.0 tp -61.37 -56.52 19.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.839 -0.619 . . . . 1.6599999999999999 111.183 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.9 mt -66.89 -44.29 88.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.058 -0.519 . . . . 0.40999999999999998 111.127 -176.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -61.03 -42.59 98.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.422 . . . . 1.6699999999999999 110.344 -177.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.82 -30.49 76.25 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 121.048 -0.596 . . . . 0.54000000000000004 112.653 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.87 -32.21 65.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.931 0.396 . . . . 0.72999999999999998 110.686 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.06 -23.14 63.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.095 -0.502 . . . . 0.87 111.022 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.67 -16.85 64.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 1.05 111.239 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -111.6 13.96 21.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 2.6699999999999999 110.669 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -117.78 17.59 14.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.177 0.513 . . . . 2.4500000000000002 110.356 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.92 0 CA-C-N 115.763 -0.653 . . . . 3.8199999999999998 110.084 -179.856 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SXO . . . . . 1.057 ' H28' ' HB2' ' A' ' 42' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.8 mtp . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 110.005 -0.368 . . . . 5.0199999999999996 110.005 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.24 138.53 45.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.888 0.375 . . . . 2.3199999999999998 111.207 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 m -82.4 105.87 13.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.064 -0.517 . . . . 2.1000000000000001 110.597 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 pp -157.09 -177.03 6.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.288 -0.415 . . . . 0.88 111.192 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.643 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 1.4 tt -79.96 128.45 33.48 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.943 -0.762 . . . . 1.0 108.943 -177.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 54.9 p -101.95 154.5 18.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.714 0.292 . . . . 1.21 110.602 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.7 m -57.97 -37.87 75.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.982 -0.554 . . . . 1.3 110.943 176.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -70.32 -40.18 74.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.292 -0.413 . . . . 2.1899999999999999 110.689 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.03 -41.73 97.12 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.1 0.476 . . . . 1.1200000000000001 110.387 174.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.426 HD12 HD13 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -58.73 -50.63 73.19 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.409 -0.814 . . . . 1.0800000000000001 109.743 177.092 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -55.49 -40.7 72.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.938 -0.574 . . . . 2.1699999999999999 111.236 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -62.54 -49.37 75.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.58 -0.282 . . . . 3.6600000000000001 110.947 176.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.67 -39.04 89.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.207 -0.451 . . . . 0.48999999999999999 111.959 -173.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.469 HD12 ' CZ ' ' A' ' 40' ' ' TYR . 3.8 mm? -60.26 -42.96 96.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.079 0.466 . . . . 0.79000000000000004 110.602 177.121 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.1 t -67.81 -51.64 48.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.869 -0.605 . . . . 0.70999999999999996 110.756 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -59.08 -30.15 67.87 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.903 -0.59 . . . . 1.49 111.794 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.504 ' HB2' ' HG3' ' A' ' 51' ' ' ARG . 9.9 t -84.75 -32.85 23.22 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.831 0.308 . . . . 1.25 111.831 -177.141 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HB2' ' HE1' ' A' ' 40' ' ' TYR . . . -106.06 -78.82 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.362 0.504 . . . . 1.6799999999999999 112.362 -174.228 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -150.35 143.11 10.28 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.796 -0.716 . . . . 2.1400000000000001 112.246 -175.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -79.98 84.4 5.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.015 0.436 . . . . 5.4699999999999998 111.625 -175.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.6 m 72.1 2.36 4.28 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.325 -0.852 . . . . 4.4699999999999998 112.16 174.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -131.8 111.19 11.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.999 -0.438 . . . . 4.4000000000000004 110.421 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.94 -62.0 0.65 Allowed Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.336 -0.706 . . . . 2.54 111.336 178.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.6 p -112.91 91.0 3.5 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.168 0.509 . . . . 3.02 110.594 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -74.15 93.98 2.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.818 -0.628 . . . . 2.7599999999999998 111.033 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 mp -107.01 30.46 6.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.265 -0.879 . . . . 1.6000000000000001 109.732 176.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.5 m -77.06 -4.78 46.01 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.695 -0.684 . . . . 2.0800000000000001 111.328 -176.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.38 -83.65 1.6 Allowed Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.135 -0.786 . . . . 1.8400000000000001 111.135 175.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -134.39 -177.58 4.66 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.21 -0.663 . . . . 2.77 109.21 174.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -167.94 -32.58 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.71 -0.223 . . . . 0.92000000000000004 110.791 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.834 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 95.2 mt -52.17 -35.95 50.28 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.81 0.67 . . . . 0.78000000000000003 112.81 -177.334 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -94.58 -13.82 25.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.817 0.341 . . . . 2.29 111.41 -173.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 98.0 mt -88.35 149.0 23.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.406 -0.361 . . . . 1.23 110.757 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.554 ' O ' HG12 ' A' ' 38' ' ' ILE . 42.2 mtp180 -74.43 143.62 44.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.673 -0.239 . . . . 2.8799999999999999 110.718 -177.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -54.39 -54.36 41.6 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.947 0.404 . . . . 0.58999999999999997 112.059 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.436 ' H ' ' HG3' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -63.62 -21.91 66.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.202 -0.453 . . . . 2.6000000000000001 112.09 -179.64 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -85.51 -27.03 25.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.927 0.394 . . . . 2.0299999999999998 110.935 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.558 HG13 ' HD2' ' A' ' 40' ' ' TYR . 19.2 pt -93.01 22.11 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.017 0.437 . . . . 0.67000000000000004 111.732 177.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.82 43.87 16.6 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.888 -0.596 . . . . 0.62 113.679 171.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.558 ' HD2' HG13 ' A' ' 38' ' ' ILE . 68.1 m-85 -126.82 114.04 17.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.1 0.476 . . . . 0.70999999999999996 110.686 175.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -71.89 163.85 27.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.534 -0.757 . . . . 1.9299999999999999 110.284 176.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.4 p -52.66 -45.37 66.7 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.991 -0.55 . . . . 0.91000000000000003 111.654 177.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.32 -43.79 98.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 1.3200000000000001 110.686 178.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.87 -32.69 74.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.22 0.533 . . . . 0.46999999999999997 110.957 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.483 ' HG ' ' H5 ' ' A' ' 87' ' ' SXO . 36.1 tp -69.97 -43.45 71.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.648 -0.705 . . . . 0.75 111.297 -178.034 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.6 ptm -66.59 -29.47 69.53 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.975 0.417 . . . . 1.26 109.951 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -64.97 -41.51 95.38 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.936 -0.575 . . . . 2.2000000000000002 110.7 174.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.493 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 23.2 m -64.46 -38.44 91.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.998 -0.546 . . . . 0.54000000000000004 110.607 179.091 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.44 ' HB2' ' H8A' ' A' ' 87' ' ' SXO . . . -57.9 -44.02 86.53 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.186 -0.461 . . . . 0.46000000000000002 110.91 176.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.93 75.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.871 -0.604 . . . . 0.48999999999999999 110.418 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.504 ' HG3' ' HB2' ' A' ' 17' ' ' SER . 14.6 mmt180 -59.31 -42.77 92.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.46 -0.791 . . . . 2.8599999999999999 110.878 177.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.58 HD22 HD11 ' A' ' 5' ' ' LEU . 91.5 mt -72.16 -47.78 48.32 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.819 -0.628 . . . . 0.56000000000000005 111.074 -177.13 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -61.59 -42.33 98.71 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.275 -0.421 . . . . 0.51000000000000001 111.561 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.9 m -67.21 -25.77 66.28 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.236 0.458 . . . . 1.4199999999999999 112.236 -177.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -85.13 -46.09 11.44 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.966 -0.294 . . . . 2.4199999999999999 111.405 -177.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.643 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 97.8 m-85 -95.6 -19.55 19.67 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.054 0.39 . . . . 1.0800000000000001 112.054 -175.196 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.38 38.52 45.15 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.65 -0.786 . . . . 0.57999999999999996 111.871 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.6 HG12 HD21 ' A' ' 82' ' ' LEU . 28.5 m -97.68 -176.43 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.89 0.376 . . . . 0.45000000000000001 111.208 -175.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.3 p -132.01 107.09 8.44 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.859 -0.609 . . . . 1.6200000000000001 110.279 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.2 mt -90.67 110.91 44.75 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.068 -0.514 . . . . 0.59999999999999998 109.954 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.89 119.33 6.33 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.728 2.285 . . . . 0.81000000000000005 111.398 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -65.26 -4.46 5.32 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.265 -0.425 . . . . 1.99 111.893 -175.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -73.1 -68.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.204 0.526 . . . . 2.4399999999999999 110.13 177.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 20.0 t -76.1 -17.04 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.605 -0.725 . . . . 1.1399999999999999 110.979 -177.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.499 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -61.74 -33.21 73.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.68000000000000005 111.247 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -82.98 28.78 3.55 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.621 -0.799 . . . . 0.77000000000000002 112.626 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -137.4 4.03 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.679 0.239 . . . . 3.6299999999999999 111.226 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.608 HG21 HD23 ' A' ' 74' ' ' LEU . 16.5 m -94.77 110.61 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.47 0.652 . . . . 0.94999999999999996 110.759 178.051 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -90.84 -38.16 13.13 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.681 -0.69 . . . . 1.75 111.314 -174.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.9 p -115.41 150.62 44.86 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.08 -0.509 . . . . 0.5 110.885 -179.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.834 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 77.0 Cg_exo -54.66 -26.68 47.63 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.202 2.602 . . . . 0.38 112.727 175.57 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -54.44 -56.02 22.9 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.159 0.504 . . . . 3.5600000000000001 110.178 174.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -62.91 -41.31 99.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.321 -0.854 . . . . 2.4300000000000002 110.399 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.608 HD23 HG21 ' A' ' 68' ' ' VAL . 2.5 tm? -55.89 -53.97 50.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.875 -0.602 . . . . 1.22 110.439 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.426 HD13 HD12 ' A' ' 10' ' ' LEU . 58.7 tp -59.69 -52.51 65.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.917 -0.583 . . . . 1.1200000000000001 111.206 179.312 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.67 -35.71 78.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.965 -0.561 . . . . 1.4299999999999999 111.434 -175.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.43 -50.32 73.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.986 0.422 . . . . 1.6599999999999999 110.047 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 79.2 mt -70.28 -37.0 69.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.158 -0.474 . . . . 0.40999999999999998 110.653 -178.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.408 ' ND2' ' HG ' ' A' ' 75' ' ' LEU . 87.8 m-20 -61.37 -43.46 98.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.601 -0.272 . . . . 1.6699999999999999 110.776 175.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.73 -36.77 93.21 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.372 -0.442 . . . . 0.54000000000000004 112.644 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.41 -45.24 66.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.069 0.461 . . . . 0.72999999999999998 110.917 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.6 HD21 HG12 ' A' ' 58' ' ' VAL . 77.5 mt -70.55 -32.23 69.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.95 -0.568 . . . . 0.87 111.504 -178.005 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.05 -21.62 66.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.305 -0.407 . . . . 1.05 111.808 -176.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -77.91 -19.17 55.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.351 -0.386 . . . . 2.6699999999999999 110.875 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -125.04 3.71 7.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.692 0.256 . . . . 2.4500000000000002 111.692 -176.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.375 -0.821 . . . . 3.8199999999999998 110.627 179.787 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SXO . . . . . 0.648 ' H30' HN36 ' A' ' 87' ' ' SXO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 110.472 -0.196 . . . . 5.0199999999999996 110.472 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 72.69 168.39 0.31 Allowed 'General case' 0 N--CA 1.465 0.324 0 O-C-N 124.061 0.85 . . . . 2.3199999999999998 111.692 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.1 p -86.41 107.06 17.86 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.605 -0.725 . . . . 2.1000000000000001 110.424 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 63.4 mt -137.91 -177.1 4.66 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.637 -0.505 . . . . 0.88 109.637 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.614 HD11 HD22 ' A' ' 52' ' ' LEU . 1.6 tt -80.73 123.5 28.25 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.371 -0.974 . . . . 1.0 108.371 178.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.449 ' H ' ' HB2' ' A' ' 9' ' ' ASP . 47.7 p -122.78 -178.21 3.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 1.21 111.756 -176.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.9 m -58.06 -55.93 28.59 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.714 -0.675 . . . . 1.3 111.216 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.447 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 36.0 t70 -61.97 -35.63 79.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.828 -0.624 . . . . 2.1899999999999999 110.858 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.449 ' HB2' ' H ' ' A' ' 6' ' ' THR . 22.0 m-20 -65.3 -45.24 85.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.313 -0.403 . . . . 1.1200000000000001 110.89 177.002 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.419 HD21 ' HB3' ' A' ' 71' ' ' PRO . 43.1 tp -62.28 -36.8 83.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.111 0.482 . . . . 1.0800000000000001 109.874 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.447 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 40.3 ttm180 -54.21 -25.94 25.72 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.327 -0.851 . . . . 2.1699999999999999 111.674 177.391 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.891 ' HA ' ' HE ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -80.82 -44.67 18.11 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.715 0.265 . . . . 3.6600000000000001 111.715 -179.045 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.26 86.83 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 112.369 0.507 . . . . 0.48999999999999999 112.369 -171.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.532 HD13 HG21 ' A' ' 48' ' ' THR . 4.0 mm? -64.21 -32.63 74.28 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.389 0.614 . . . . 0.79000000000000004 110.646 178.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 19' ' ' GLY . 90.4 t -79.22 -37.33 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.818 -0.628 . . . . 0.70999999999999996 110.724 -178.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 52.5 mt-10 -57.1 -46.82 82.28 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.056 0.455 . . . . 1.49 111.303 178.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 p -87.19 -42.38 13.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.452 -0.795 . . . . 1.25 112.84 -171.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB3' ' HE1' ' A' ' 40' ' ' TYR . . . -121.18 -58.24 1.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.366 0.876 . . . . 1.6799999999999999 113.366 -169.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.453 ' O ' HG13 ' A' ' 15' ' ' VAL . . . -80.99 60.67 4.65 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.796 -0.716 . . . . 2.1400000000000001 114.059 -170.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -79.84 100.76 8.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 117.15 0.475 . . . . 5.4699999999999998 110.323 176.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.5 p 50.48 38.0 17.27 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.124 0.786 . . . . 4.4699999999999998 113.124 175.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -105.87 122.51 46.27 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.859 -0.61 . . . . 4.4000000000000004 109.684 177.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.49 60.24 3.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.084 -0.579 . . . . 2.54 112.858 -176.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.4 t -87.07 -168.0 2.09 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.591 -0.522 . . . . 3.02 109.591 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -110.37 92.67 4.14 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.543 -0.54 . . . . 2.7599999999999998 109.543 178.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.2 tp -135.62 -9.36 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.273 -0.876 . . . . 1.6000000000000001 111.201 -175.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.7 m -86.95 81.18 8.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.11 0.481 . . . . 2.0800000000000001 110.852 -175.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -172.52 -157.76 15.13 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.542 -0.623 . . . . 1.8400000000000001 111.542 178.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -81.54 81.63 7.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.924 0.869 . . . . 2.77 110.366 178.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -79.98 -17.37 53.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.192 -0.913 . . . . 0.92000000000000004 111.997 -174.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.548 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 52.7 mt -54.21 -41.26 68.43 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.565 0.58 . . . . 0.78000000000000003 112.565 -175.44 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -98.5 4.07 48.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.011 0.434 . . . . 2.29 111.284 -176.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.9 mt -92.79 137.1 32.66 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.275 -0.639 . . . . 1.23 109.275 173.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -71.7 152.24 42.96 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.644 -0.422 . . . . 2.8799999999999999 110.664 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -55.86 -34.9 65.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.326 0.584 . . . . 0.58999999999999997 109.563 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -58.05 -31.97 67.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 114.899 -1.046 . . . . 2.6000000000000001 111.611 175.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -83.62 -39.33 20.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.922 0.391 . . . . 2.0299999999999998 110.656 -174.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.475 HG13 ' HD2' ' A' ' 40' ' ' TYR . 17.1 pt -89.0 14.9 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.0 -0.545 . . . . 0.67000000000000004 112.193 -175.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.03 31.17 66.94 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 121.378 -0.439 . . . . 0.62 113.796 174.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.475 ' HD2' HG13 ' A' ' 38' ' ' ILE . 51.7 m-85 -113.41 106.95 15.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.142 0.496 . . . . 0.70999999999999996 110.411 177.094 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -86.7 179.63 6.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.575 -0.738 . . . . 1.9299999999999999 111.594 -177.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.6 p -50.28 -57.85 6.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.919 -1.037 . . . . 0.91000000000000003 112.71 -177.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.2 tp -58.71 -47.82 83.23 Favored 'General case' 0 C--N 1.334 -0.07 0 CA-C-N 116.412 -0.358 . . . . 1.3200000000000001 111.217 -176.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.46 -39.53 93.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.046 0.451 . . . . 0.46999999999999997 110.778 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.1 tp -64.88 -42.27 94.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.821 -0.627 . . . . 0.75 111.398 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.435 ' HB3' ' H3A' ' A' ' 87' ' ' SXO . 23.7 ptm -69.39 -30.18 68.09 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.25 -0.58 . . . . 1.26 110.792 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.9 -43.64 82.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.851 0.358 . . . . 2.2000000000000002 110.082 174.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.532 HG21 HD13 ' A' ' 14' ' ' LEU . 53.9 m -63.32 -37.83 88.78 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.238 -0.437 . . . . 0.54000000000000004 110.814 175.462 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.426 ' HB2' ' H8B' ' A' ' 87' ' ' SXO . . . -55.72 -39.92 71.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.46000000000000002 111.619 178.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.28 -31.69 71.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.257 0.551 . . . . 0.48999999999999999 110.514 -178.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -64.57 -44.53 90.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.111 -0.949 . . . . 2.8599999999999999 110.313 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.614 HD22 HD11 ' A' ' 5' ' ' LEU . 76.1 mt -66.92 -46.57 74.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.56000000000000005 110.566 -177.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.552 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 63.4 mt-10 -59.81 -53.28 59.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.51000000000000001 110.646 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.7 t -63.41 -39.44 94.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.985 -0.552 . . . . 1.4199999999999999 111.717 -175.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 55' ' ' ARG . 39.5 ttt180 -67.64 -44.77 77.15 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.722 0.267 . . . . 2.4199999999999999 111.722 -175.488 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.475 ' CE1' ' HG ' ' A' ' 5' ' ' LEU . 88.6 m-85 -95.51 -20.24 19.18 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.959 0.355 . . . . 1.0800000000000001 111.959 -174.029 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.22 36.54 10.83 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.402 -0.904 . . . . 0.57999999999999996 111.772 -177.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.552 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 33.8 m -107.87 -170.32 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.637 0.256 . . . . 0.45000000000000001 111.101 -178.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.6 t -156.23 127.54 7.09 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.118 -0.697 . . . . 1.6200000000000001 109.118 177.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.3 mt -96.7 122.31 57.34 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.173 -0.467 . . . . 0.59999999999999998 110.626 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -58.02 128.11 27.59 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.814 2.343 . . . . 0.81000000000000005 111.621 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -64.89 -11.47 38.13 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.354 0.502 . . . . 1.99 112.354 -175.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -78.62 -44.91 22.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.267 0.556 . . . . 2.4399999999999999 110.158 173.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.505 HG11 ' HG ' ' A' ' 77' ' ' LEU . 21.5 t -74.79 -19.37 16.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.788 -0.642 . . . . 1.1399999999999999 111.169 -175.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.66 -30.09 67.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 0.68000000000000005 111.326 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -106.45 19.65 36.33 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.486 -0.864 . . . . 0.77000000000000002 112.303 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -105.34 -19.81 13.68 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.924 0.342 . . . . 3.6299999999999999 111.924 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 28.3 m -89.89 171.71 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.829 -0.348 . . . . 0.94999999999999996 111.697 -174.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -144.64 -31.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.804 -0.635 . . . . 1.75 110.45 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.5 p -127.72 149.75 71.29 Favored Pre-proline 0 C--O 1.238 0.481 0 CA-C-N 115.683 -0.689 . . . . 0.5 111.18 -177.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.548 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 72.7 Cg_exo -52.48 -42.49 61.11 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.259 2.64 . . . . 0.38 112.805 176.33 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -54.1 -51.86 62.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 3.5600000000000001 111.052 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -65.84 -43.62 87.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.02 -0.536 . . . . 2.4300000000000002 110.998 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.427 HD11 ' H8A' ' A' ' 87' ' ' SXO . 2.9 tt -57.06 -44.59 83.15 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.017 -0.538 . . . . 1.22 110.012 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.517 ' HG ' ' OD1' ' A' ' 79' ' ' ASN . 27.9 tp -55.77 -41.19 73.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.497 -0.774 . . . . 1.1200000000000001 111.52 -177.129 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -60.04 -33.74 72.45 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.122 -0.49 . . . . 1.4299999999999999 111.447 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.505 ' HG ' HG11 ' A' ' 64' ' ' VAL . 4.4 mm? -63.48 -45.26 91.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.502 -0.317 . . . . 1.6599999999999999 111.251 -178.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 24.5 mt -78.73 -37.21 20.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.549 -0.296 . . . . 0.40999999999999998 110.446 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.517 ' OD1' ' HG ' ' A' ' 75' ' ' LEU . 9.1 m120 -61.25 -46.39 90.57 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.667 0.27 . . . . 1.6699999999999999 110.692 177.027 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.486 ' O ' ' HG2' ' A' ' 84' ' ' GLU . . . -61.67 -38.94 96.72 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.193 -0.527 . . . . 0.54000000000000004 112.446 -177.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.92 -33.98 72.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.99 0.424 . . . . 0.72999999999999998 111.056 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.6 mt -75.75 -34.08 60.26 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.824 -0.626 . . . . 0.87 110.949 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.31 -44.3 92.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.27 -0.423 . . . . 1.05 111.611 -178.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 80' ' ' GLY . 10.2 pt-20 -91.41 17.94 7.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.822 0.344 . . . . 2.6699999999999999 111.261 -177.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -98.87 6.5 46.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.95 0.405 . . . . 2.4500000000000002 110.715 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 119.04 -0.505 . . . . 3.8199999999999998 110.232 -178.984 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SXO . . . . . 0.435 ' H3A' ' HB3' ' A' ' 46' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.0 mtp . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 120.459 0.171 . . . . 5.0199999999999996 111.373 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.95 163.64 15.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.904 0.383 . . . . 2.3199999999999998 111.809 -174.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.98 106.28 7.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.65 -0.705 . . . . 2.1000000000000001 110.989 177.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 68.0 mt -80.57 155.83 26.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.773 -0.649 . . . . 0.88 110.747 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.593 HD11 HD22 ' A' ' 52' ' ' LEU . 2.2 tt -83.33 121.83 27.66 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.165 -1.05 . . . . 1.0 108.165 174.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.8 p -121.96 -179.16 4.05 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.357 -0.537 . . . . 1.21 111.373 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.5 m -58.12 -34.43 70.21 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.357 -0.383 . . . . 1.3 111.186 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -68.92 -42.49 76.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.982 0.42 . . . . 2.1899999999999999 110.585 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -63.14 -45.56 91.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.806 -0.633 . . . . 1.1200000000000001 110.136 177.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.6 tp -61.84 -40.1 94.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.469 -0.787 . . . . 1.0800000000000001 110.281 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 11' ' ' ARG . 16.8 ttp180 -53.27 -40.19 64.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.927 -0.579 . . . . 2.1699999999999999 111.227 178.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -77.3 -37.81 51.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.642 -0.254 . . . . 3.6600000000000001 111.368 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.48 -35.51 76.07 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.164 0.431 . . . . 0.48999999999999999 112.164 -174.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.402 HD12 ' CE1' ' A' ' 40' ' ' TYR . 4.4 mm? -73.79 -26.49 60.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.942 0.401 . . . . 0.79000000000000004 110.995 179.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.4 t -86.28 -24.81 6.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.953 0.406 . . . . 0.70999999999999996 111.013 -178.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -85.5 -20.31 29.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.876 0.37 . . . . 1.49 110.893 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.468 ' HB3' ' HG3' ' A' ' 51' ' ' ARG . 11.6 p -88.93 -63.51 1.28 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.23 -0.441 . . . . 1.25 111.056 177.044 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.87 -64.28 1.2 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 1.6799999999999999 110.532 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.86 166.85 41.88 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.87 -0.605 . . . . 2.1400000000000001 113.894 174.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 59.45 90.44 0.05 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.59 0.756 . . . . 5.4699999999999998 112.521 177.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.2 p -101.41 77.69 1.8 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.086 0.47 . . . . 4.4699999999999998 110.734 177.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -73.38 -32.56 64.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.85 -0.614 . . . . 4.4000000000000004 111.038 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -156.64 54.07 0.41 Allowed Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 111.411 -0.676 . . . . 2.54 111.411 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.426 HG22 ' CD1' ' A' ' 26' ' ' LEU . 7.4 m -150.25 87.29 1.45 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.98 0.419 . . . . 3.02 109.898 -175.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.0 100.33 7.25 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.439 0.533 . . . . 2.7599999999999998 112.439 -175.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.426 ' CD1' HG22 ' A' ' 24' ' ' THR . 8.9 mp -103.75 19.35 20.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.893 -0.594 . . . . 1.6000000000000001 109.556 170.063 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 t -102.87 29.91 5.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.848 -0.615 . . . . 2.0800000000000001 109.99 -177.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -151.85 -152.17 5.84 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.735 -0.666 . . . . 1.8400000000000001 111.843 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.2 82.53 2.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.526 0.203 . . . . 2.77 110.692 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -107.61 -9.66 15.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.658 0.266 . . . . 0.92000000000000004 110.829 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.677 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 93.3 mt -54.42 -25.13 22.99 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 112.572 0.582 . . . . 0.78000000000000003 112.572 -178.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -93.61 -18.17 22.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.976 0.417 . . . . 2.29 111.724 -171.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.8 mt -92.03 158.17 16.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.333 -0.394 . . . . 1.23 110.776 -177.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -71.83 142.19 49.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.489 0.185 . . . . 2.8799999999999999 111.353 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -53.62 -53.8 46.66 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.152 -0.476 . . . . 0.58999999999999997 110.928 174.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -60.17 -23.95 64.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.484 -0.78 . . . . 2.6000000000000001 111.684 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -83.9 -28.43 27.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.326 -0.397 . . . . 2.0299999999999998 111.102 -173.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.504 HG13 ' HD2' ' A' ' 40' ' ' TYR . 29.7 pt -90.19 18.05 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.06 0.457 . . . . 0.67000000000000004 111.467 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.99 39.52 4.56 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 120.99 -0.624 . . . . 0.62 113.723 172.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.504 ' HD2' HG13 ' A' ' 38' ' ' ILE . 64.3 m-85 -125.4 160.18 30.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.121 0.46 . . . . 0.70999999999999996 110.886 177.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -123.31 159.73 28.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.516 -0.765 . . . . 1.9299999999999999 109.071 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.992 ' HB2' ' H28' ' A' ' 87' ' ' SXO . 0.2 OUTLIER -49.67 -41.58 43.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.588 0.555 . . . . 0.91000000000000003 111.665 175.153 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.559 ' O ' ' HG3' ' A' ' 46' ' ' MET . 60.7 tp -57.78 -57.33 13.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 1.3200000000000001 111.128 177.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.63 -36.84 84.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.764 0.316 . . . . 0.46999999999999997 111.049 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.5 tp -62.26 -49.01 77.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.203 -0.453 . . . . 0.75 111.088 -178.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.559 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 5.0 ppp? -67.18 -35.92 80.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.628 -0.26 . . . . 1.26 111.1 -178.084 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -65.29 -35.12 80.05 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.885 0.374 . . . . 2.2000000000000002 110.622 176.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 57.6 m -64.5 -34.32 77.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.262 -0.426 . . . . 0.54000000000000004 111.392 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.2 -42.35 77.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.941 0.4 . . . . 0.46000000000000002 111.223 -178.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.62 -27.08 68.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.847 -0.615 . . . . 0.48999999999999999 110.794 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.854 ' HE ' ' HA ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -71.04 -37.58 72.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.74 -0.664 . . . . 2.8599999999999999 110.687 -179.599 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.593 HD22 HD11 ' A' ' 5' ' ' LEU . 88.4 mt -71.43 -48.1 51.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.044 0.45 . . . . 0.56000000000000005 110.253 178.107 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.582 ' HA ' HG22 ' A' ' 58' ' ' VAL . 41.9 mt-10 -59.66 -45.27 92.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.399 -0.819 . . . . 0.51000000000000001 111.494 -177.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.8 p -64.92 -33.37 75.87 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.278 0.473 . . . . 1.4199999999999999 112.278 -178.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -71.6 -46.69 58.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.342 . . . . 2.4199999999999999 111.667 -177.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -97.72 -17.32 19.48 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.899 0.333 . . . . 1.0800000000000001 111.899 -172.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.48 40.63 12.61 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.522 -0.847 . . . . 0.57999999999999996 111.724 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.582 HG22 ' HA ' ' A' ' 53' ' ' GLU . 34.9 m -108.85 -170.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.45000000000000001 111.418 -177.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.499 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 64.6 m -153.05 130.36 11.29 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.916 -0.584 . . . . 1.6200000000000001 109.513 175.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.496 HG22 ' HB2' ' A' ' 65' ' ' ALA . 60.0 mt -95.06 119.49 65.72 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.554 -0.294 . . . . 0.59999999999999998 110.703 -178.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 19.4 Cg_exo -66.44 140.73 58.78 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.989 2.459 . . . . 0.81000000000000005 112.674 -177.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -58.62 -27.05 64.34 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.603 -0.726 . . . . 1.99 112.388 -176.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 4.5 m-20 -74.75 -60.79 2.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.736 0.303 . . . . 2.4399999999999999 111.271 -175.315 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.901 HG11 ' HG ' ' A' ' 77' ' ' LEU . 5.4 t -72.9 -23.43 20.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.941 -0.304 . . . . 1.1399999999999999 111.487 -173.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.496 ' HB2' HG22 ' A' ' 60' ' ' ILE . . . -60.13 -38.51 83.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.085 0.469 . . . . 0.68000000000000005 111.651 -177.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -91.3 -0.71 73.15 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.598 -0.81 . . . . 0.77000000000000002 112.559 -177.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 92.9 mtt180 -102.26 1.49 35.88 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 121.062 -0.255 . . . . 3.6299999999999999 111.669 -177.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.9 m -87.68 168.38 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.593 -0.443 . . . . 0.94999999999999996 110.587 178.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -149.48 -50.27 0.14 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.48 0.657 . . . . 1.75 109.624 -177.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 34.8 p -105.38 149.9 38.31 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 114.942 -1.026 . . . . 0.5 111.009 176.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.677 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 53.2 Cg_exo -56.8 -32.68 92.42 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.467 2.778 . . . . 0.38 112.609 177.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.456 ' HD3' ' C ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -56.11 -51.78 66.68 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.281 0.363 . . . . 3.5600000000000001 110.254 179.507 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.407 ' HG2' ' OG1' ' A' ' 70' ' ' THR . 10.2 mm-40 -66.9 -41.67 86.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.353 -0.385 . . . . 2.4300000000000002 110.834 -177.239 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.1 tp -57.0 -53.37 58.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.064 -0.516 . . . . 1.22 110.273 176.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.0 tp -58.28 -48.02 81.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.778 -0.646 . . . . 1.1200000000000001 110.74 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -57.63 -46.3 84.31 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.12 -0.491 . . . . 1.4299999999999999 111.273 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.901 ' HG ' HG11 ' A' ' 64' ' ' VAL . 3.1 tm? -62.55 -45.36 93.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.231 -0.441 . . . . 1.6599999999999999 110.135 -179.016 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.417 ' O ' HD23 ' A' ' 82' ' ' LEU . 62.0 mt -67.98 -34.84 69.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.40999999999999998 110.361 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.6 -41.57 98.32 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.677 0.275 . . . . 1.6699999999999999 110.742 175.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -60.75 -34.1 85.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.169 -0.539 . . . . 0.54000000000000004 112.094 176.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.2 -47.29 44.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.618 0.247 . . . . 0.72999999999999998 110.56 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 78' ' ' ILE . 2.7 mm? -62.52 -32.42 73.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.87 111.326 178.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.27 70.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.324 -0.398 . . . . 1.05 110.826 175.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -83.35 7.78 15.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.328 -0.396 . . . . 2.6699999999999999 111.248 -177.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.43 -27.62 61.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.101 0.476 . . . . 2.4500000000000002 110.344 178.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 CA-C-N 115.65 -0.704 . . . . 3.8199999999999998 109.902 178.26 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SXO . . . . . 0.992 ' H28' ' HB2' ' A' ' 42' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.5 mmm . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 120.34 0.114 . . . . 5.0199999999999996 110.744 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.83 84.88 0.15 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.724 0.64 . . . . 2.3199999999999998 111.428 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.8 m -94.24 105.2 17.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.862 -0.608 . . . . 2.1000000000000001 110.769 -178.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.1 mt -83.27 164.96 19.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.094 -0.503 . . . . 0.88 110.504 175.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.494 HD11 HD13 ' A' ' 52' ' ' LEU . 3.5 tt -83.28 123.32 29.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.759 -0.83 . . . . 1.0 108.759 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.2 p -120.04 -174.41 2.76 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.555 -0.458 . . . . 1.21 112.196 -178.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.522 HG22 HD11 ' A' ' 31' ' ' LEU . 1.6 p -55.81 -56.53 19.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.496 -0.775 . . . . 1.3 111.833 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.89 -38.76 79.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.85 -1.068 . . . . 2.1899999999999999 110.689 -178.127 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -64.33 -44.97 89.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.641 -0.708 . . . . 1.1200000000000001 111.175 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.565 HD11 ' HB3' ' A' ' 71' ' ' PRO . 0.9 OUTLIER -54.99 -50.19 69.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.592 -0.731 . . . . 1.0800000000000001 109.632 -178.637 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -52.84 -42.44 65.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.419 -0.809 . . . . 2.1699999999999999 111.382 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 -63.47 -40.47 97.21 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 115.805 -0.634 . . . . 3.6600000000000001 111.755 -177.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.468 ' HB2' HD21 ' A' ' 52' ' ' LEU . . . -60.01 -37.72 80.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.744 0.307 . . . . 0.48999999999999999 110.685 -175.23 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.3 mm? -65.7 -48.37 72.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.976 -0.556 . . . . 0.79000000000000004 110.933 178.051 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.4 t -67.86 -49.48 68.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.08 -0.509 . . . . 0.70999999999999996 111.429 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -63.02 -23.84 67.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.376 -0.375 . . . . 1.49 111.433 -177.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.2 t -82.62 -62.9 1.48 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.559 -0.291 . . . . 1.25 110.851 178.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.09 -57.5 4.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.304 -0.407 . . . . 1.6799999999999999 111.319 -174.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.3 130.64 5.48 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.522 -0.847 . . . . 2.1400000000000001 112.624 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 65.71 -179.48 0.19 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.234 0.613 . . . . 5.4699999999999998 112.177 178.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 p -129.23 85.46 2.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.685 -0.689 . . . . 4.4699999999999998 110.738 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -61.69 -54.66 39.61 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.038 -0.528 . . . . 4.4000000000000004 111.502 -176.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.424 ' O ' ' HB ' ' A' ' 24' ' ' THR . . . 149.7 124.29 1.27 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.443 -0.884 . . . . 2.54 112.643 178.126 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 23' ' ' GLY . 14.7 t 177.68 -167.64 0.06 Allowed 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.721 -0.474 . . . . 3.02 109.721 178.474 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.84 96.09 10.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.035 -0.357 . . . . 2.7599999999999998 110.035 176.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 26' ' ' LEU . 39.6 tp -149.21 5.83 0.65 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.065 0.46 . . . . 1.6000000000000001 110.771 -177.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.8 t -82.04 -1.21 47.67 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.186 0.517 . . . . 2.0800000000000001 110.89 -176.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 171.52 -46.56 0.18 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.611 -0.804 . . . . 1.8400000000000001 112.004 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.49 99.01 11.96 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.741 -0.466 . . . . 2.77 109.741 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -148.07 -31.74 0.28 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.241 0.46 . . . . 0.92000000000000004 112.241 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.639 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 72.0 mt -55.62 -27.58 50.4 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.584 0.587 . . . . 0.78000000000000003 112.584 -178.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -92.21 -19.13 22.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.636 0.255 . . . . 2.29 111.58 -173.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -89.05 143.07 27.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.461 -0.336 . . . . 1.23 110.386 -176.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -70.77 145.53 50.36 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.595 -0.52 . . . . 2.8799999999999999 109.595 177.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -52.54 -40.87 62.98 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.976 0.417 . . . . 0.58999999999999997 111.434 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -60.03 -33.09 71.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.884 -0.598 . . . . 2.6000000000000001 111.107 178.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -84.66 -23.94 29.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.818 -0.628 . . . . 2.0299999999999998 110.339 -170.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.497 HG13 ' HD1' ' A' ' 40' ' ' TYR . 21.3 pt -90.85 9.4 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.67000000000000004 110.869 176.068 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.86 26.21 35.53 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.928 -0.653 . . . . 0.62 114.378 170.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.497 ' HD1' HG13 ' A' ' 38' ' ' ILE . 59.3 m-85 -105.11 115.0 29.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 117.835 0.817 . . . . 0.70999999999999996 111.016 178.003 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.2 179.62 7.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.947 -1.024 . . . . 1.9299999999999999 111.292 -175.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 63.7 p -50.78 -60.42 3.07 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.368 -0.833 . . . . 0.91000000000000003 111.657 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' ' HG3' ' A' ' 46' ' ' MET . 58.3 tp -53.38 -51.01 63.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.454 -0.794 . . . . 1.3200000000000001 111.434 -179.284 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.87 97.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.118 -0.492 . . . . 0.46999999999999997 111.464 -175.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.4 tp -68.21 -43.22 78.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.163 -0.472 . . . . 0.75 111.599 -176.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.434 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 4.7 ppp? -70.66 -31.75 68.78 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.762 -0.375 . . . . 1.26 111.07 -176.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -66.44 -37.14 84.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.054 0.454 . . . . 2.2000000000000002 110.661 173.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.499 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 37.7 m -61.62 -39.12 90.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.724 -0.671 . . . . 0.54000000000000004 110.715 178.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.44 -48.24 79.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.46000000000000002 110.922 177.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.38 -30.3 70.45 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.893 -0.594 . . . . 0.48999999999999999 110.718 -177.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.499 ' HB2' ' O ' ' A' ' 48' ' ' THR . 23.1 mmm180 -58.48 -55.16 38.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.754 -0.657 . . . . 2.8599999999999999 110.81 176.506 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.494 HD13 HD11 ' A' ' 5' ' ' LEU . 90.2 mt -64.58 -43.0 95.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.462 -0.335 . . . . 0.56000000000000005 111.152 -176.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.61 ' HA ' HG22 ' A' ' 58' ' ' VAL . 46.9 mt-10 -58.02 -56.48 21.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.51000000000000001 110.891 -178.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.8 m -67.75 -27.25 66.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.008 -0.542 . . . . 1.4199999999999999 111.695 -177.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 51' ' ' ARG . 33.0 ttt180 -72.16 -46.89 54.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 2.4199999999999999 111.419 -175.374 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -94.24 -21.5 19.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.556 -0.293 . . . . 1.0800000000000001 111.433 -177.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.13 47.93 3.71 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.707 -0.758 . . . . 0.57999999999999996 111.355 -175.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.61 HG22 ' HA ' ' A' ' 53' ' ' GLU . 17.9 m -124.41 -171.55 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.767 0.317 . . . . 0.45000000000000001 110.652 -178.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.8 m -151.57 132.77 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.555 -0.535 . . . . 1.6200000000000001 109.555 174.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 67.5 mt -94.59 124.64 54.46 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 110.257 -0.275 . . . . 0.59999999999999998 110.257 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.503 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 50.9 Cg_exo -55.42 133.39 57.83 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.925 2.416 . . . . 0.81000000000000005 111.967 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.2 -53.1 58.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.675 -0.693 . . . . 1.99 112.319 -171.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -79.91 -31.13 40.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.785 0.326 . . . . 2.4399999999999999 111.738 -174.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.503 ' HB ' ' HB2' ' A' ' 61' ' ' PRO . 30.7 t -74.65 -18.86 16.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.983 0.42 . . . . 1.1399999999999999 110.555 -178.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.538 ' HB1' ' H4A' ' A' ' 87' ' ' SXO . . . -62.45 -29.56 70.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.167 0.508 . . . . 0.68000000000000005 111.16 178.418 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.81 20.2 40.55 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.091 -0.576 . . . . 0.77000000000000002 112.395 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.421 ' HA ' ' NE ' ' A' ' 67' ' ' ARG . 4.6 mmp_? -117.66 26.87 9.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.593 0.235 . . . . 3.6299999999999999 110.746 -178.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.762 HG21 HD23 ' A' ' 74' ' ' LEU . 13.8 m -136.3 107.36 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.321 0.582 . . . . 0.94999999999999996 110.951 -178.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -91.89 -42.07 10.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 1.75 111.181 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.443 ' OG1' ' HG2' ' A' ' 73' ' ' GLU . 69.9 p -105.87 142.68 25.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.318 -0.401 . . . . 0.5 110.952 -179.147 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.639 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 86.9 Cg_exo -52.33 -33.46 55.94 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 123.291 2.661 . . . . 0.38 112.883 177.099 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -53.99 -52.98 59.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.368 -0.378 . . . . 3.5600000000000001 111.021 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.443 ' HG2' ' OG1' ' A' ' 70' ' ' THR . 20.4 mm-40 -67.23 -40.98 86.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.779 -0.646 . . . . 2.4300000000000002 110.448 -178.321 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.762 HD23 HG21 ' A' ' 68' ' ' VAL . 3.2 tm? -59.16 -45.52 90.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 1.22 110.097 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 tt -57.99 -46.08 85.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.764 -0.653 . . . . 1.1200000000000001 110.366 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -67.25 -37.7 83.95 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.069 -0.514 . . . . 1.4299999999999999 111.034 -178.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.92 -48.44 81.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.19 -0.459 . . . . 1.6599999999999999 111.016 -178.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.4 mt -68.26 -38.0 78.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.258 -0.428 . . . . 0.40999999999999998 110.641 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -63.78 -38.39 90.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.446 -0.343 . . . . 1.6699999999999999 110.797 177.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.74 -35.12 91.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.261 -0.495 . . . . 0.54000000000000004 112.365 178.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.4 -27.82 62.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.72999999999999998 110.598 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.6 mt -78.57 -39.33 37.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.269 -0.423 . . . . 0.87 110.365 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.06 -12.87 42.83 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.972 -0.558 . . . . 1.05 111.046 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -63.05 -52.46 62.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.682 -0.69 . . . . 2.6699999999999999 110.613 175.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.63 2.67 33.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.98 -0.554 . . . . 2.4500000000000002 111.548 -174.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.586 -0.721 . . . . 3.8199999999999998 110.588 -178.268 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SXO . . . . . 0.538 ' H4A' ' HB1' ' A' ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ptp . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 110.193 -0.299 . . . . 5.0199999999999996 110.193 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.57 151.27 41.38 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.098 -0.501 . . . . 2.3199999999999998 110.226 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.421 ' HB ' ' HE1' ' A' ' 56' ' ' TYR . 16.0 p -73.54 104.15 4.41 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.868 0.366 . . . . 2.1000000000000001 111.176 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.8 mt -85.03 176.08 8.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.693 -0.685 . . . . 0.88 110.264 176.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.632 HD11 HD13 ' A' ' 52' ' ' LEU . 6.5 tt -90.61 122.09 33.1 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.707 -0.849 . . . . 1.0 108.707 175.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.2 t -114.79 169.82 8.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.016 0.436 . . . . 1.21 111.269 -178.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -56.82 -39.62 74.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.483 -0.781 . . . . 1.3 112.019 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -60.53 -45.99 91.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.861 -0.609 . . . . 2.1899999999999999 110.605 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -65.1 -38.95 92.34 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.903 -0.59 . . . . 1.1200000000000001 111.229 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.465 HD21 ' HB3' ' A' ' 71' ' ' PRO . 20.5 tp -60.67 -45.75 92.96 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.318 -0.401 . . . . 1.0800000000000001 110.068 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -56.46 -49.72 73.8 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.137 -0.483 . . . . 2.1699999999999999 111.855 178.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -71.43 -30.28 65.88 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.832 0.308 . . . . 3.6600000000000001 111.832 -176.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.48 -36.6 80.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.606 -0.27 . . . . 0.48999999999999999 111.633 -174.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.663 HD21 ' H8 ' ' A' ' 87' ' ' SXO . 4.4 mm? -66.27 -27.32 67.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.158 0.504 . . . . 0.79000000000000004 110.904 179.021 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.7 t -86.72 -32.93 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.071 -0.513 . . . . 0.70999999999999996 110.566 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -78.21 -12.71 60.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.735 -0.666 . . . . 1.49 111.671 -178.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.533 ' HB3' ' HA ' ' A' ' 48' ' ' THR . 13.8 p -85.09 -62.3 1.57 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.784 0.326 . . . . 1.25 110.831 175.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.53 -65.2 1.04 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 1.6799999999999999 111.576 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.52 154.98 25.36 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.097 -0.573 . . . . 2.1400000000000001 111.876 -178.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 63.78 -166.5 0.23 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 122.469 0.308 . . . . 5.4699999999999998 110.866 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.1 p 59.69 51.17 6.47 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.846 0.831 . . . . 4.4699999999999998 111.946 176.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -80.89 78.37 7.69 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.637 -1.165 . . . . 4.4000000000000004 109.912 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.47 64.71 0.23 Allowed Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.198 -1.001 . . . . 2.54 112.993 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.501 HG23 ' HG ' ' A' ' 26' ' ' LEU . 7.4 t -164.21 170.45 16.3 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.52 -0.548 . . . . 3.02 109.52 176.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -99.73 85.58 3.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.55 0.691 . . . . 2.7599999999999998 111.807 -175.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.501 ' HG ' HG23 ' A' ' 24' ' ' THR . 95.1 mt -102.28 7.55 40.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.321 -0.854 . . . . 1.6000000000000001 108.996 172.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 p -98.76 18.26 17.4 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.853 -1.067 . . . . 2.0800000000000001 112.578 -172.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 173.04 133.86 1.73 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 119.545 -1.312 . . . . 1.8400000000000001 113.592 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 55.12 29.15 12.02 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.193 0.812 . . . . 2.77 113.193 172.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -83.55 -20.8 33.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.474 -0.33 . . . . 0.92000000000000004 111.207 -175.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.577 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 44.8 mt -58.37 -28.01 64.75 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.188 0.44 . . . . 0.78000000000000003 112.188 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -93.49 -18.69 22.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.233 0.539 . . . . 2.29 110.781 -176.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.5 mt -85.24 132.43 34.27 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.937 -0.574 . . . . 1.23 109.922 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -69.0 154.39 42.15 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.098 -0.334 . . . . 2.8799999999999999 110.098 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.408 ' HA ' HG12 ' A' ' 38' ' ' ILE . 55.7 m-85 -53.76 -26.29 22.85 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.209 0.528 . . . . 0.58999999999999997 110.886 176.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -58.49 -36.77 74.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.318 -0.856 . . . . 2.6000000000000001 111.955 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -85.26 -27.46 26.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.895 0.379 . . . . 2.0299999999999998 111.093 -173.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.456 HG13 ' HD2' ' A' ' 40' ' ' TYR . 23.7 pt -90.29 11.07 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.436 -0.347 . . . . 0.67000000000000004 111.479 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.12 49.5 57.48 Favored Glycine 0 C--N 1.332 0.352 0 CA-C-N 116.01 -0.541 . . . . 0.62 113.82 172.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.466 ' OH ' ' HB3' ' A' ' 14' ' ' LEU . 37.1 m-85 -121.49 123.64 42.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.283 0.542 . . . . 0.70999999999999996 111.841 176.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -80.36 164.11 23.37 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.305 -0.861 . . . . 1.9299999999999999 111.472 177.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.3 p -52.06 -51.39 57.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.993 -1.003 . . . . 0.91000000000000003 112.22 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.535 ' O ' ' HG2' ' A' ' 46' ' ' MET . 31.3 tp -57.69 -50.55 72.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.646 -0.706 . . . . 1.3200000000000001 111.316 -177.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.07 77.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.189 0.519 . . . . 0.46999999999999997 110.412 -179.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.2 tp -63.84 -48.56 76.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.776 -0.647 . . . . 0.75 110.777 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.535 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 22.0 ptm -66.34 -32.67 74.21 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.69 0.281 . . . . 1.26 111.094 -177.132 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -66.46 -39.13 88.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.995 0.426 . . . . 2.2000000000000002 110.462 176.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.537 HG21 HD13 ' A' ' 14' ' ' LEU . 25.7 m -62.6 -32.91 74.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.867 -0.606 . . . . 0.54000000000000004 111.048 177.51 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.589 ' HB1' HD12 ' A' ' 60' ' ' ILE . . . -57.05 -45.94 82.81 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.003 -0.544 . . . . 0.46000000000000002 111.338 177.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.91 -29.7 69.75 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.859 -0.61 . . . . 0.48999999999999999 111.059 -175.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -61.63 -51.25 69.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.55 -0.75 . . . . 2.8599999999999999 110.388 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.632 HD13 HD11 ' A' ' 5' ' ' LEU . 96.4 mt -70.91 -36.86 72.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.664 -0.698 . . . . 0.56000000000000005 111.156 -177.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.593 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 49.0 mt-10 -57.66 -58.75 6.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.232 -0.44 . . . . 0.51000000000000001 110.988 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.3 t -65.16 -35.04 79.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.023 -0.535 . . . . 1.4199999999999999 111.534 -176.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -70.68 -45.19 65.5 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.115 0.413 . . . . 2.4199999999999999 112.115 -173.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.421 ' HE1' ' HB ' ' A' ' 3' ' ' THR . 62.0 m-85 -106.68 13.07 28.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.035 0.383 . . . . 1.0800000000000001 112.035 -175.501 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.24 39.99 97.56 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 121.045 -0.597 . . . . 0.57999999999999996 112.769 175.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.593 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 29.0 m -116.59 -174.25 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 110.158 -0.312 . . . . 0.45000000000000001 110.158 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.2 t -155.42 130.78 9.62 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.109 -0.701 . . . . 1.6200000000000001 109.109 173.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.589 HD12 ' HB1' ' A' ' 49' ' ' ALA . 58.4 mt -93.89 113.4 60.41 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-O 120.83 0.348 . . . . 0.59999999999999998 110.327 -176.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 31.1 Cg_exo -62.03 131.54 35.29 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.965 2.443 . . . . 0.81000000000000005 112.77 -177.104 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -55.59 -30.08 60.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.215 -0.902 . . . . 1.99 111.28 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -75.26 -50.57 15.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.92 -0.582 . . . . 2.4399999999999999 111.392 -176.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.3 t -74.06 -25.78 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 1.1399999999999999 111.279 -174.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 68' ' ' VAL . . . -60.66 -38.92 86.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.093 -0.503 . . . . 0.68000000000000005 112.057 -177.348 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.62 37.85 2.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.009 -0.615 . . . . 0.77000000000000002 113.099 -176.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 67' ' ' ARG . 51.2 mtp180 -141.74 -5.28 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.661 -0.317 . . . . 3.6299999999999999 110.992 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.752 HG11 HD23 ' A' ' 74' ' ' LEU . 7.4 p -102.05 116.35 45.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.582 0.706 . . . . 0.94999999999999996 111.863 -173.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -95.05 -36.63 11.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.737 -0.665 . . . . 1.75 110.916 175.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.9 p -108.56 135.09 20.06 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.672 -0.694 . . . . 0.5 112.174 -172.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.577 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 57.7 Cg_exo -53.32 -27.42 38.83 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.528 2.819 . . . . 0.38 112.983 176.241 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.12 -57.02 12.69 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.884 0.373 . . . . 3.5600000000000001 110.566 176.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.587 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 20.9 mm-40 -62.0 -40.9 97.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.832 -0.622 . . . . 2.4300000000000002 110.892 -178.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.752 HD23 HG11 ' A' ' 68' ' ' VAL . 1.5 tm? -58.2 -50.85 72.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.886 -0.597 . . . . 1.22 110.137 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.4 tt -58.84 -44.65 91.01 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.892 -0.595 . . . . 1.1200000000000001 110.882 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.51 -36.28 80.76 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.397 0.517 . . . . 1.4299999999999999 112.397 -177.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 94.4 mt -62.83 -47.07 85.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.96 0.409 . . . . 1.6599999999999999 110.428 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.8 mt -70.21 -39.16 76.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.187 -0.461 . . . . 0.40999999999999998 110.79 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -68.1 -28.56 67.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.543 -0.299 . . . . 1.6699999999999999 111.48 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.23 -38.66 95.4 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 121.327 -0.463 . . . . 0.54000000000000004 112.152 178.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.06 -33.7 65.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.04 0.448 . . . . 0.72999999999999998 110.614 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.2 mt -82.75 -8.23 59.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.018 -0.537 . . . . 0.87 111.605 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.6 -32.87 74.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.041 0.448 . . . . 1.05 110.988 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -108.09 20.81 18.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.959 -0.564 . . . . 2.6699999999999999 110.853 -177.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.07 135.25 36.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.114 -0.494 . . . . 2.4500000000000002 110.566 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.46 -0.781 . . . . 3.8199999999999998 110.27 178.899 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SXO . . . . . 0.663 ' H8 ' HD21 ' A' ' 14' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 110.285 -0.265 . . . . 5.0199999999999996 110.285 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.7 -166.84 0.21 Allowed 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.653 0.595 . . . . 2.3199999999999998 111.144 177.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -143.87 120.63 11.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.341 0.591 . . . . 2.1000000000000001 109.729 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 51.0 mt -80.75 163.18 23.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.729 -0.669 . . . . 0.88 110.54 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.621 HD11 HD22 ' A' ' 52' ' ' LEU . 3.1 tt -80.01 122.81 27.2 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.449 -0.945 . . . . 1.0 108.449 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.421 ' H ' ' HB2' ' A' ' 9' ' ' ASP . 33.5 p -109.01 176.11 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.753 0.311 . . . . 1.21 111.326 -176.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -61.69 -54.07 47.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 1.3 111.641 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -67.62 -27.96 67.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.649 -0.251 . . . . 2.1899999999999999 111.016 -178.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.645 ' HB3' ' OH ' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -62.21 -51.95 65.73 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.338 0.59 . . . . 1.1200000000000001 109.91 171.032 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.437 ' HG ' HD23 ' A' ' 14' ' ' LEU . 21.6 tp -61.02 -39.89 91.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.269 -0.878 . . . . 1.0800000000000001 110.776 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -51.99 -39.78 59.94 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.722 -0.672 . . . . 2.1699999999999999 111.365 177.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.852 ' HA ' ' HE ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -78.24 -40.46 37.16 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.507 -0.315 . . . . 3.6600000000000001 111.121 -179.719 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.54 98.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.192 -0.458 . . . . 0.48999999999999999 111.836 -175.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.578 HD13 HG21 ' A' ' 48' ' ' THR . 4.4 mm? -59.99 -43.92 94.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.953 0.406 . . . . 0.79000000000000004 111.082 177.639 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.9 t -67.05 -39.4 83.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 0.70999999999999996 111.095 -177.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 45.5 mt-10 -59.19 -36.81 76.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 1.49 111.063 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 t -85.71 -1.97 57.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.209 -0.45 . . . . 1.25 111.612 -177.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -124.1 -67.04 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.795 0.331 . . . . 1.6799999999999999 111.883 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.32 -63.59 0.38 Allowed Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 116.142 -0.481 . . . . 2.1400000000000001 111.905 -177.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -169.74 104.78 0.34 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.118 -0.697 . . . . 5.4699999999999998 109.118 178.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -124.19 63.47 1.08 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.99 0.424 . . . . 4.4699999999999998 111.679 -171.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.1 t70 65.83 -84.09 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.353 -0.839 . . . . 4.4000000000000004 112.118 173.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.79 65.47 0.85 Allowed Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 121.05 -0.595 . . . . 2.54 112.047 -174.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.3 m -90.86 43.38 1.14 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.796 0.808 . . . . 3.02 110.105 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -87.18 54.09 3.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.016 -0.993 . . . . 2.7599999999999998 110.364 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.8 mp -83.5 26.52 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 1.6000000000000001 111.822 -175.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.0 m -95.85 -48.78 5.6 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.666 0.269 . . . . 2.0800000000000001 111.171 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.52 46.03 3.49 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 121.143 -0.551 . . . . 1.8400000000000001 113.346 -174.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 61.97 104.31 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.764 0.793 . . . . 2.77 112.34 176.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -110.38 1.8 18.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.049 -0.978 . . . . 0.92000000000000004 111.467 -172.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.51 ' O ' ' HB ' ' A' ' 70' ' ' THR . 26.5 mt -53.23 -37.13 61.77 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.086 0.773 . . . . 0.78000000000000003 113.086 -174.336 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -92.13 1.08 57.43 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.932 0.345 . . . . 2.29 111.932 -176.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.8 mt -92.35 132.25 36.88 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.29 -0.634 . . . . 1.23 109.29 174.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -71.43 164.61 25.46 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.875 -0.33 . . . . 2.8799999999999999 110.161 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -58.06 -29.63 65.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.901 0.381 . . . . 0.58999999999999997 110.121 174.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -58.97 -32.19 69.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.461 -0.791 . . . . 2.6000000000000001 111.526 172.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -80.45 -40.57 26.03 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.328 -0.397 . . . . 2.0299999999999998 110.411 -175.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.7 pt -89.66 6.69 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.282 -0.417 . . . . 0.67000000000000004 111.678 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.13 45.55 95.17 Favored Glycine 0 CA--C 1.518 0.254 0 CA-C-N 115.94 -0.573 . . . . 0.62 114.063 173.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -110.99 113.48 26.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.395 0.617 . . . . 0.70999999999999996 111.506 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.89 164.17 24.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.854 -1.066 . . . . 1.9299999999999999 111.808 -178.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.1 p -49.58 -53.62 22.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.808 -1.087 . . . . 0.91000000000000003 111.573 174.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.422 ' O ' ' HG2' ' A' ' 46' ' ' MET . 54.1 tp -58.49 -40.3 82.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.335 -0.848 . . . . 1.3200000000000001 110.954 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.68 95.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.083 0.468 . . . . 0.46999999999999997 110.499 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.524 ' HB3' ' H6A' ' A' ' 87' ' ' SXO . 83.0 mt -62.99 -48.33 79.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.635 -0.711 . . . . 0.75 111.56 -179.102 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.422 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 27.3 ptm -64.7 -34.49 78.44 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.948 -0.301 . . . . 1.26 110.926 -177.41 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -67.53 -42.72 82.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.358 . . . . 2.2000000000000002 110.168 174.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.578 HG21 HD13 ' A' ' 14' ' ' LEU . 43.3 m -63.47 -36.51 83.98 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.108 -0.496 . . . . 0.54000000000000004 111.61 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.84 -40.6 69.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.366 -0.379 . . . . 0.46000000000000002 111.488 -178.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.94 -31.83 72.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.042 -0.526 . . . . 0.48999999999999999 111.1 -176.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -69.33 -44.23 72.09 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.622 -0.717 . . . . 2.8599999999999999 109.774 -177.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.621 HD22 HD11 ' A' ' 5' ' ' LEU . 48.2 mt -68.53 -48.1 65.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.576 -0.738 . . . . 0.56000000000000005 110.486 -178.227 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.526 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 53.0 mt-10 -57.34 -51.89 67.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.884 -0.598 . . . . 0.51000000000000001 111.145 -177.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.7 t -66.36 -42.79 87.53 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.524 -0.307 . . . . 1.4199999999999999 111.344 -176.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -70.83 -48.78 52.21 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.285 0.476 . . . . 2.4199999999999999 112.285 -174.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.645 ' OH ' ' HB3' ' A' ' 9' ' ' ASP . 70.7 m-85 -94.36 6.89 47.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.935 0.398 . . . . 1.0800000000000001 111.142 -172.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 65.88 44.07 92.6 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.655 -0.702 . . . . 0.57999999999999996 112.562 175.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.526 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 32.9 m -126.71 -176.06 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.076 0.465 . . . . 0.45000000000000001 111.253 -176.198 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.4 p -150.39 135.48 17.77 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 108.732 -0.84 . . . . 1.6200000000000001 108.732 172.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 60.8 mt -91.52 116.71 66.98 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 110.152 -0.314 . . . . 0.59999999999999998 110.152 -177.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.15 127.27 24.44 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.09 2.527 . . . . 0.81000000000000005 112.087 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -61.92 -19.3 62.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.689 -0.687 . . . . 1.99 112.175 -175.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -78.18 -53.76 6.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.006 0.432 . . . . 2.4399999999999999 110.733 175.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.1 t -74.87 -19.51 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.951 -0.568 . . . . 1.1399999999999999 111.412 -174.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.5 -39.74 84.81 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.123 0.487 . . . . 0.68000000000000005 111.472 -177.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.13 35.52 4.73 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.456 -0.878 . . . . 0.77000000000000002 112.419 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -142.5 42.84 1.62 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.754 0.311 . . . . 3.6299999999999999 110.802 -177.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.552 HG21 HD23 ' A' ' 74' ' ' LEU . 22.3 m -140.73 166.47 18.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.245 -0.434 . . . . 0.94999999999999996 110.876 179.101 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -138.24 -43.84 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 1.75 110.991 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.51 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 77.1 p -107.56 149.64 39.13 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.959 -0.564 . . . . 0.5 111.585 -176.268 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.407 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 44.7 Cg_exo -57.73 -26.47 73.32 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.81 2.34 . . . . 0.38 111.92 172.204 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.577 ' HE ' ' HA ' ' A' ' 72' ' ' ARG . 1.1 tpm_? -53.89 -55.75 23.96 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.754 0.311 . . . . 3.5600000000000001 110.163 174.36 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -63.66 -46.99 83.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.189 -0.914 . . . . 2.4300000000000002 110.537 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.552 HD23 HG21 ' A' ' 68' ' ' VAL . 1.4 tm? -58.53 -51.25 70.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.735 -0.666 . . . . 1.22 110.775 -178.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.7 tp -59.18 -44.1 92.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.946 -0.57 . . . . 1.1200000000000001 111.25 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.77 -36.88 83.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.791 -0.64 . . . . 1.4299999999999999 111.023 -175.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.28 -52.33 64.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.034 -0.53 . . . . 1.6599999999999999 110.065 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.0 mt -63.56 -46.65 94.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.40999999999999998 110.823 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -60.64 -38.33 84.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 1.6699999999999999 111.235 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.62 -37.13 93.27 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 121.117 -0.563 . . . . 0.54000000000000004 112.339 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.42 -28.89 64.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.013 0.435 . . . . 0.72999999999999998 110.902 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.406 HD21 ' CG1' ' A' ' 58' ' ' VAL . 67.4 mt -73.87 -19.43 60.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.044 -0.526 . . . . 0.87 111.241 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.55 -25.75 67.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.461 -0.336 . . . . 1.05 111.639 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -100.76 6.96 44.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.073 0.464 . . . . 2.6699999999999999 110.613 178.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.35 -1.85 50.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.929 -0.578 . . . . 2.4500000000000002 110.305 179.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.21 -0.9 . . . . 3.8199999999999998 109.908 179.12 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SXO . . . . . 0.647 ' H30' HN36 ' A' ' 87' ' ' SXO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.4 mt . . . . . 0 CA--C 1.532 0.25 0 CA-C-O 120.987 0.422 . . . . 0.88 111.485 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.635 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 1.2 tt -85.2 123.75 31.07 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.591 -0.522 . . . . 1.0 109.591 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.531 ' OG1' ' HB2' ' A' ' 9' ' ' ASP . 67.9 p -106.15 173.53 6.27 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.138 -0.225 . . . . 1.21 111.437 -177.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.3 p -59.23 -56.78 17.74 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.265 0.555 . . . . 1.3 110.94 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.561 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 32.2 t70 -62.93 -38.73 92.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.49 -0.777 . . . . 2.1899999999999999 111.085 -177.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.531 ' HB2' ' OG1' ' A' ' 6' ' ' THR . 0.2 OUTLIER -61.31 -44.94 96.37 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.752 0.311 . . . . 1.1200000000000001 110.36 178.564 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.4 tp -62.74 -46.46 87.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 1.0800000000000001 109.851 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -55.5 -41.9 73.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.583 -0.735 . . . . 2.1699999999999999 111.08 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.561 ' HG2' ' O ' ' A' ' 8' ' ' ASP . 23.9 mmm180 -68.17 -43.47 78.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.315 -0.402 . . . . 3.6600000000000001 110.892 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.3 -41.42 93.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.451 -0.341 . . . . 0.48999999999999999 111.896 -173.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 40' ' ' TYR . 4.3 mm? -59.82 -45.57 91.96 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.976 0.417 . . . . 0.79000000000000004 110.678 176.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 52.8 t -67.66 -48.02 77.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.855 -0.611 . . . . 0.70999999999999996 110.845 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 47.3 mt-10 -57.69 -29.96 65.09 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.22 -0.445 . . . . 1.49 111.556 -177.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.498 ' OG ' ' HG3' ' A' ' 51' ' ' ARG . 18.1 m -81.61 -54.6 5.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.967 0.413 . . . . 1.25 111.405 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 CA-C-O 120.903 0.382 . . . . 1.6799999999999999 111.607 -174.571 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 N--CA 1.46 0.063 0 CA-C-O 121.097 0.475 . . . . 1.6000000000000001 110.343 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.2 m -83.62 11.53 7.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.876 -0.602 . . . . 2.0800000000000001 110.988 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.61 -117.46 1.75 Allowed Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.605 -0.807 . . . . 1.8400000000000001 112.199 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -108.16 108.69 19.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.195 0.521 . . . . 2.77 110.456 -178.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -121.24 -30.94 4.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.39 -0.823 . . . . 0.92000000000000004 111.22 -174.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.3 mt -57.22 -30.37 64.54 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.613 0.597 . . . . 0.78000000000000003 112.613 -177.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -90.62 -17.45 26.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.58 -0.282 . . . . 2.29 111.239 -175.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.0 mt -86.68 150.33 24.27 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.904 -0.406 . . . . 1.23 109.904 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.519 ' HG2' ' OD2' ' A' ' 69' ' ' ASP . 64.3 mtm180 -73.87 161.89 29.67 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.617 -0.512 . . . . 2.8799999999999999 109.617 177.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -54.78 -46.6 74.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.992 0.425 . . . . 0.58999999999999997 111.062 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -65.47 -22.27 66.73 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.117 -0.492 . . . . 2.6000000000000001 112.197 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -79.38 -32.91 43.19 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.873 -0.417 . . . . 2.0299999999999998 109.873 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.457 HG13 ' HD1' ' A' ' 40' ' ' TYR . 15.6 pt -88.93 14.95 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.67000000000000004 110.916 176.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.49 32.18 62.35 Favored Glycine 0 CA--C 1.518 0.233 0 CA-C-N 115.58 -0.736 . . . . 0.62 113.766 172.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 43.6 m-85 -109.3 118.87 37.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.193 0.521 . . . . 0.70999999999999996 111.47 178.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.1 150.76 47.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.078 -0.965 . . . . 1.9299999999999999 110.519 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.8 p -52.89 -45.12 67.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.131 -0.486 . . . . 0.91000000000000003 111.736 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.404 ' O ' ' HG2' ' A' ' 46' ' ' MET . 1.7 tm? -64.0 -49.39 72.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.001 -0.545 . . . . 1.3200000000000001 110.255 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.04 -31.37 72.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.231 0.539 . . . . 0.46999999999999997 110.502 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.3 tp -65.65 -46.6 78.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.588 -0.733 . . . . 0.75 111.194 177.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 21.1 ptm -71.15 -25.33 62.51 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.517 -0.473 . . . . 1.26 110.694 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 43.5 mt-10 -64.54 -41.47 96.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.017 0.437 . . . . 2.2000000000000002 109.829 171.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.439 HG21 HD22 ' A' ' 14' ' ' LEU . 42.0 m -61.07 -39.88 91.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.308 -0.86 . . . . 0.54000000000000004 110.606 177.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.494 ' HB1' HD12 ' A' ' 60' ' ' ILE . . . -56.73 -42.13 78.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.76 -0.655 . . . . 0.46000000000000002 111.245 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.16 -32.85 73.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.305 0.574 . . . . 0.48999999999999999 110.436 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.498 ' HG3' ' OG ' ' A' ' 17' ' ' SER . 10.3 mmt180 -68.19 -39.08 82.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.642 -0.708 . . . . 2.8599999999999999 110.195 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.7 mt -62.54 -48.98 77.13 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.751 -0.659 . . . . 0.56000000000000005 110.134 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.538 ' OE2' ' HA ' ' A' ' 59' ' ' SER . 55.2 mt-10 -58.6 -43.77 89.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.677 -0.692 . . . . 0.51000000000000001 110.692 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.0 m -67.24 -25.53 66.13 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.334 0.494 . . . . 1.4199999999999999 112.334 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -89.89 -47.81 7.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.976 0.417 . . . . 2.4199999999999999 111.415 -175.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.635 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 68.7 m-85 -96.75 -6.17 36.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.252 -0.431 . . . . 1.0800000000000001 111.632 -173.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.08 24.77 72.92 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.83 -0.7 . . . . 0.57999999999999996 112.114 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.6 m -97.99 -171.34 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.756 0.312 . . . . 0.45000000000000001 110.617 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.538 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 7.0 t -157.71 132.19 8.4 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.324 -0.621 . . . . 1.6200000000000001 109.324 174.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.494 HD12 ' HB1' ' A' ' 49' ' ' ALA . 56.1 mt -97.57 120.89 59.7 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.291 -0.413 . . . . 0.59999999999999998 110.934 -176.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 36.9 Cg_exo -63.2 154.66 66.27 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.564 2.843 . . . . 0.81000000000000005 113.68 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -58.38 -56.96 15.35 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.04 -0.982 . . . . 1.99 112.908 -174.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -72.01 -40.0 68.79 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.673 0.273 . . . . 2.4399999999999999 111.587 -169.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.1 p -73.26 -23.84 20.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.77 -0.372 . . . . 1.1399999999999999 110.995 -175.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.438 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -61.9 -40.18 94.55 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.104 0.478 . . . . 0.68000000000000005 111.127 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.18 1.32 84.54 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.85 -0.691 . . . . 0.77000000000000002 112.751 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -100.65 0.38 39.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.502 -0.41 . . . . 3.6299999999999999 111.781 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 65' ' ' ALA . 28.3 m -91.33 172.3 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.747 -0.381 . . . . 0.94999999999999996 110.355 176.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.519 ' OD2' ' HG2' ' A' ' 34' ' ' ARG . 34.1 t70 -147.71 -47.9 0.17 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.302 -0.408 . . . . 1.75 110.957 -174.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.5 p -110.65 149.68 40.65 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.43 -0.35 . . . . 0.5 111.083 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -52.98 -37.07 77.99 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.639 2.893 . . . . 0.38 113.23 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.513 ' HD2' ' OE2' ' A' ' 73' ' ' GLU . 15.9 ttm180 -54.87 -50.44 68.69 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.463 -0.335 . . . . 3.5600000000000001 110.727 -179.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.513 ' OE2' ' HD2' ' A' ' 72' ' ' ARG . 16.8 mm-40 -64.74 -34.3 77.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.818 -0.628 . . . . 2.4300000000000002 110.667 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.89 -47.96 75.95 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.215 -0.661 . . . . 1.22 109.215 176.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 40.9 tp -57.88 -50.35 73.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.509 -0.769 . . . . 1.1200000000000001 110.265 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.66 -42.38 83.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.474 -0.785 . . . . 1.4299999999999999 111.122 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.42 -51.97 66.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.874 -0.603 . . . . 1.6599999999999999 111.248 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.9 mt -70.51 -34.85 59.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.558 -0.292 . . . . 0.40999999999999998 110.821 -176.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.37 -47.02 86.0 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.878 0.37 . . . . 1.6699999999999999 110.259 174.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.16 -35.01 91.19 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.802 -0.636 . . . . 0.54000000000000004 112.522 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.18 -34.52 75.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.701 0.286 . . . . 0.72999999999999998 111.037 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.5 mt -72.37 -33.18 67.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.955 0.407 . . . . 0.87 110.45 176.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.86 -0.609 . . . . 1.05 111.521 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.5 HD22 HD13 ' A' ' 82' ' ' LEU . 35.5 mt . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.814 0.34 . . . . 0.88 110.745 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.654 HD11 HD22 ' A' ' 52' ' ' LEU . 0.8 OUTLIER -80.9 124.4 29.08 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.378 -0.601 . . . . 1.0 109.378 -177.834 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.2 p -102.43 177.89 4.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.739 0.304 . . . . 1.21 111.193 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.5 p -58.61 -56.01 27.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.555 0.693 . . . . 1.3 111.219 175.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.542 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 2.4 m-20 -65.6 -42.73 91.32 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.037 -0.983 . . . . 2.1899999999999999 111.305 -174.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -62.63 -33.86 75.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.654 0.264 . . . . 1.1200000000000001 111.009 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.21 -52.51 54.25 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.376 -0.602 . . . . 1.0800000000000001 109.376 177.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -56.63 -39.61 73.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.296 -0.865 . . . . 2.1699999999999999 111.27 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 77.8 mtp180 -64.21 -39.62 94.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 3.6600000000000001 111.367 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.9 -32.88 72.33 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.823 0.344 . . . . 0.48999999999999999 110.969 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.447 HD13 HG21 ' A' ' 48' ' ' THR . 4.2 mm? -65.17 -53.83 38.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.006 -0.543 . . . . 0.79000000000000004 110.224 174.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.3 t -64.95 -40.32 88.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.737 -0.665 . . . . 0.70999999999999996 111.863 -176.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -62.1 -28.26 69.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.972 0.415 . . . . 1.49 111.011 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.2 m -85.76 -42.59 14.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.991 0.424 . . . . 1.25 110.365 174.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 115.666 -0.697 . . . . 1.6799999999999999 110.435 179.076 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.86 0.362 . . . . 1.6000000000000001 110.745 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -88.17 -8.35 55.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.284 -0.416 . . . . 2.0800000000000001 110.915 -176.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -102.94 -161.42 25.65 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.772 -0.728 . . . . 1.8400000000000001 113.204 -175.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -74.83 77.46 2.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.973 0.416 . . . . 2.77 110.692 -178.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -74.66 -27.94 60.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.319 -0.401 . . . . 0.92000000000000004 111.082 -176.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.489 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 96.3 mt -56.09 -31.56 63.35 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.452 0.538 . . . . 0.78000000000000003 112.452 -178.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -94.23 -9.0 37.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.443 -0.344 . . . . 2.29 111.55 -177.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.9 mt -91.47 138.86 31.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.64 -0.255 . . . . 1.23 110.395 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -73.28 163.56 27.92 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.826 -0.435 . . . . 2.8799999999999999 109.826 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.411 ' HA ' HG12 ' A' ' 38' ' ' ILE . 71.2 m-85 -58.22 -35.53 71.81 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.415 -0.357 . . . . 0.58999999999999997 111.385 178.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -61.15 -33.88 74.13 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.683 -0.235 . . . . 2.6000000000000001 111.553 174.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -81.91 -27.81 33.18 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.77 0.319 . . . . 2.0299999999999998 110.618 -172.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.411 HG12 ' HA ' ' A' ' 35' ' ' PHE . 27.8 pt -88.81 8.17 3.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.949 0.404 . . . . 0.67000000000000004 110.977 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 60.62 47.81 89.35 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.764 -0.653 . . . . 0.62 113.573 175.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -113.75 119.06 36.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.053 0.454 . . . . 0.70999999999999996 111.191 176.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -64.37 147.58 52.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.215 -0.902 . . . . 1.9299999999999999 111.362 178.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.2 p -51.37 -44.62 62.17 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.836 -0.62 . . . . 0.91000000000000003 111.164 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.8 tp -55.2 -51.5 66.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.768 -0.651 . . . . 1.3200000000000001 110.888 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.97 -30.71 71.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.053 -0.522 . . . . 0.46999999999999997 110.95 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.0 tp -68.84 -44.21 73.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.935 -0.575 . . . . 0.75 111.485 -177.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.2 ptt? -68.13 -29.48 68.4 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.523 -0.471 . . . . 1.26 110.151 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -66.95 -39.35 87.26 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.123 0.487 . . . . 2.2000000000000002 110.432 173.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 54.1 m -63.34 -37.1 85.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.598 -0.728 . . . . 0.54000000000000004 110.9 178.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.5 -44.95 85.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.43 . . . . 0.46000000000000002 111.123 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.05 -30.24 70.21 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.444 -0.798 . . . . 0.48999999999999999 110.688 -177.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 40.0 mmt180 -58.28 -55.09 39.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.683 -0.69 . . . . 2.8599999999999999 110.576 178.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.654 HD22 HD11 ' A' ' 5' ' ' LEU . 86.0 mt -61.27 -44.39 97.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.989 -0.551 . . . . 0.56000000000000005 111.127 -174.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.567 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 53.1 mt-10 -60.48 -56.16 24.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.152 -0.476 . . . . 0.51000000000000001 111.109 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.0 t -65.08 -32.46 74.18 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.015 0.436 . . . . 1.4199999999999999 111.401 -177.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 51' ' ' ARG . 20.0 ttt180 -68.16 -40.34 82.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.918 -0.583 . . . . 2.4199999999999999 111.467 -174.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -115.93 4.62 13.86 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.189 0.44 . . . . 1.0800000000000001 112.189 -175.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.77 37.21 83.94 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.888 -0.672 . . . . 0.57999999999999996 112.499 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.567 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 29.2 m -106.95 -170.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.667 0.27 . . . . 0.45000000000000001 110.825 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 p -155.0 126.69 7.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.995 -0.548 . . . . 1.6200000000000001 109.598 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 60.3 mt -91.92 130.31 38.92 Favored Pre-proline 0 C--N 1.318 -0.778 0 N-CA-C 110.044 -0.354 . . . . 0.59999999999999998 110.044 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.563 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 54.4 Cg_exo -52.34 138.41 55.84 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.918 2.412 . . . . 0.81000000000000005 112.933 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -54.4 -53.47 53.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.017 -0.992 . . . . 1.99 112.436 -174.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -78.89 -37.59 39.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.743 0.306 . . . . 2.4399999999999999 111.259 -176.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.563 ' HB ' ' HB2' ' A' ' 61' ' ' PRO . 43.0 t -72.23 -19.79 19.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.775 0.321 . . . . 1.1399999999999999 111.68 -174.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.88 -44.3 94.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.107 0.48 . . . . 0.68000000000000005 111.502 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.39 33.7 5.3 Favored Glycine 0 C--N 1.321 -0.303 0 CA-C-N 115.825 -0.625 . . . . 0.77000000000000002 112.771 -176.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -133.13 9.6 4.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.971 0.415 . . . . 3.6299999999999999 110.854 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.4 m -93.72 129.47 44.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.106 -0.497 . . . . 0.94999999999999996 110.079 176.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -98.32 -44.43 6.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.873 0.368 . . . . 1.75 111.605 -175.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.2 p -117.9 155.49 50.97 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.406 -0.361 . . . . 0.5 111.147 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.489 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 87.6 Cg_exo -48.65 -37.9 35.52 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.284 2.656 . . . . 0.38 113.004 174.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -51.5 -50.93 58.95 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 120.97 0.414 . . . . 3.5600000000000001 110.812 178.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -60.76 -49.42 77.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.414 -0.812 . . . . 2.4300000000000002 110.618 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -56.58 -52.15 65.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.635 -0.711 . . . . 1.22 109.898 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 57.2 tp -59.36 -53.42 58.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.967 -0.561 . . . . 1.1200000000000001 111.313 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -57.22 -42.86 82.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.709 -0.678 . . . . 1.4299999999999999 111.65 -174.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.14 -42.97 99.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.473 -0.33 . . . . 1.6599999999999999 111.248 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.428 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 60.7 mt -67.09 -41.99 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 110.028 -0.36 . . . . 0.40999999999999998 110.028 178.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -59.94 -35.72 75.54 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.389 -0.369 . . . . 1.6699999999999999 110.441 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.43 -38.09 95.32 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.134 -0.555 . . . . 0.54000000000000004 112.069 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.13 -34.23 68.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.939 0.4 . . . . 0.72999999999999998 110.252 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.5 HD13 HD22 ' A' ' 4' ' ' LEU . 95.3 mt -70.61 -37.93 73.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.886 -0.597 . . . . 0.87 110.776 178.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.293 0 CA-C-O 121.02 0.438 . . . . 1.05 110.583 175.762 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 121.113 0.482 . . . . 0.88 111.157 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.767 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 2.8 tt -86.71 122.1 30.15 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 107.724 -1.213 . . . . 1.0 107.724 172.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.86 160.53 15.44 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.416 0.524 . . . . 1.21 112.416 -177.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.62 -51.6 68.07 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 115.547 -0.751 . . . . 1.3 112.908 -175.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -58.58 -44.48 89.82 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.022 0.439 . . . . 2.1899999999999999 111.257 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.29 -33.32 75.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.797 -0.638 . . . . 1.1200000000000001 110.832 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.7 tp -68.69 -44.01 74.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 1.0800000000000001 109.939 174.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -54.99 -43.07 73.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.97 -0.559 . . . . 2.1699999999999999 110.791 176.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -69.68 -33.68 72.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.928 -0.578 . . . . 3.6600000000000001 111.523 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.437 ' HB2' HD21 ' A' ' 52' ' ' LEU . . . -59.88 -45.72 91.58 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.11 0.411 . . . . 0.48999999999999999 112.11 -171.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.607 ' HB2' HD21 ' A' ' 26' ' ' LEU . 3.8 mm? -63.15 -38.88 92.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.895 0.378 . . . . 0.79000000000000004 110.649 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.7 t -69.88 -46.69 73.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.285 -0.416 . . . . 0.70999999999999996 110.668 -178.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.82 -31.58 72.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 1.49 111.457 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.5 m -79.52 -39.13 32.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.711 0.291 . . . . 1.25 111.26 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.935 0.398 . . . . 1.6799999999999999 110.372 178.857 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.607 HD21 ' HB2' ' A' ' 14' ' ' LEU . 32.5 tp . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 121.469 0.652 . . . . 1.6000000000000001 109.445 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.5 m -83.21 -47.81 11.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.623 -0.717 . . . . 2.0800000000000001 111.103 -172.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -103.27 -30.93 5.18 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.428 -0.891 . . . . 1.8400000000000001 113.051 -175.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -146.59 145.19 30.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.925 0.363 . . . . 2.77 110.161 -174.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -169.9 -29.25 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.449 0.907 . . . . 0.92000000000000004 113.449 -178.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.636 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 48.0 mt -54.47 -33.06 58.99 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.04 1.126 . . . . 0.78000000000000003 114.04 -170.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -102.71 4.42 38.08 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.896 -0.322 . . . . 2.29 111.497 -177.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.1 mt -90.69 130.72 36.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.9 0.381 . . . . 1.23 110.612 176.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -70.79 141.12 51.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.375 -0.375 . . . . 2.8799999999999999 110.577 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -54.54 -40.04 68.29 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.905 0.383 . . . . 0.58999999999999997 111.069 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -58.3 -36.92 74.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.845 -0.616 . . . . 2.6000000000000001 111.211 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -85.21 -18.81 32.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.232 -0.44 . . . . 2.0299999999999998 112.061 -173.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.482 HG13 ' HD1' ' A' ' 40' ' ' TYR . 22.8 pt -95.76 11.2 4.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.635 -0.426 . . . . 0.67000000000000004 111.303 177.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.15 49.64 51.62 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.983 -0.553 . . . . 0.62 113.659 174.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.482 ' HD1' HG13 ' A' ' 38' ' ' ILE . 21.2 m-85 -118.15 114.91 23.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 117.084 0.442 . . . . 0.70999999999999996 110.972 176.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.91 153.43 40.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.305 -0.861 . . . . 1.9299999999999999 110.846 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.6 p -53.64 -43.88 69.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.755 -0.657 . . . . 0.91000000000000003 111.611 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.414 ' O ' ' HG2' ' A' ' 46' ' ' MET . 53.9 tp -64.08 -46.26 85.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.393 -0.367 . . . . 1.3200000000000001 110.526 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.93 -28.18 69.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.405 0.621 . . . . 0.46999999999999997 110.825 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.6 tp -70.3 -43.96 69.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.633 -0.712 . . . . 0.75 110.615 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.414 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 27.4 ptm -72.12 -27.1 62.41 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.711 0.291 . . . . 1.26 110.438 178.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.59 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 19.0 mm-40 -59.77 -50.45 73.78 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.561 -0.533 . . . . 2.2000000000000002 109.561 172.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.526 HG21 HD13 ' A' ' 14' ' ' LEU . 22.8 m -61.35 -41.54 97.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.501 -0.772 . . . . 0.54000000000000004 110.745 178.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.81 -49.63 72.69 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.972 -0.558 . . . . 0.46000000000000002 111.963 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.86 -31.54 70.99 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.402 0.62 . . . . 0.48999999999999999 110.73 -175.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.59 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 19.2 mmt180 -65.3 -38.96 91.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.231 -0.895 . . . . 2.8599999999999999 110.417 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.628 HD13 HD11 ' A' ' 5' ' ' LEU . 65.6 mt -81.21 -35.55 31.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.835 -0.62 . . . . 0.56000000000000005 111.283 -177.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -58.9 -43.12 90.97 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.501 -0.555 . . . . 0.51000000000000001 109.501 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.2 m -65.77 -39.81 91.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.723 -0.671 . . . . 1.4199999999999999 111.33 176.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -68.66 -54.34 16.9 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.508 0.558 . . . . 2.4199999999999999 112.508 -176.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.767 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 29.8 m-85 -96.89 -1.2 46.39 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.267 -0.424 . . . . 1.0800000000000001 111.23 -170.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.12 33.43 65.1 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.793 -0.718 . . . . 0.57999999999999996 112.374 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.0 m -106.45 -173.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.064 0.459 . . . . 0.45000000000000001 111.09 -177.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.4 m -152.44 122.95 7.28 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 109.313 -0.625 . . . . 1.6200000000000001 109.313 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 63.7 mt -93.75 116.47 66.49 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 116.503 -0.317 . . . . 0.59999999999999998 110.153 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -57.79 136.13 73.5 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.064 2.509 . . . . 0.81000000000000005 112.386 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -59.37 -39.35 83.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.82 -0.627 . . . . 1.99 111.682 -175.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -77.15 -39.47 49.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.288 -0.415 . . . . 2.4399999999999999 111.332 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.1 t -73.13 -26.3 22.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.06 0.457 . . . . 1.1399999999999999 110.448 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.92 99.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.294 0.568 . . . . 0.68000000000000005 110.823 176.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.66 32.93 4.07 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.485 -0.779 . . . . 0.77000000000000002 113.267 -175.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -145.26 11.69 1.34 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 117.006 0.403 . . . . 3.6299999999999999 111.337 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.4 m -97.98 175.42 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.577 -0.283 . . . . 0.94999999999999996 110.311 176.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.47 -51.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.008 0.432 . . . . 1.75 111.287 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.5 p -100.6 142.63 24.99 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.161 -0.472 . . . . 0.5 111.72 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.636 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 79.6 Cg_exo -51.11 -32.16 38.53 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.777 2.985 . . . . 0.38 113.203 176.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -53.25 -55.05 27.63 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 123.358 0.411 . . . . 3.5600000000000001 111.05 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.36 -43.55 98.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.619 -0.718 . . . . 2.4300000000000002 109.679 -177.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 74' ' ' LEU . 1.4 tm? -59.73 -46.55 88.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.523 -0.762 . . . . 1.22 110.137 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.9 tp -60.07 -54.17 49.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.465 -0.788 . . . . 1.1200000000000001 111.323 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -70.01 -27.89 65.05 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.911 -0.586 . . . . 1.4299999999999999 111.275 -175.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.14 -55.63 20.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.483 -0.326 . . . . 1.6599999999999999 111.03 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 61.6 mt -62.08 -46.45 96.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.40999999999999998 110.367 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -66.85 -20.79 65.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 1.6699999999999999 111.032 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.11 -33.6 65.06 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.154 -0.546 . . . . 0.54000000000000004 111.899 177.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.92 -32.11 63.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.339 0.59 . . . . 0.72999999999999998 110.27 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 83.9 mt -86.01 -10.66 54.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.659 -0.7 . . . . 0.87 111.08 -178.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 120.947 0.403 . . . . 1.05 111.548 -178.02 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 C--O 1.234 0.237 0 CA-C-O 121.047 0.451 . . . . 0.88 110.983 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.539 ' HG ' ' HG ' ' A' ' 75' ' ' LEU . 11.2 tp -83.82 121.22 27.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.361 -0.836 . . . . 1.0 108.899 172.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.52 172.93 6.54 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.465 0.543 . . . . 1.21 112.465 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -55.75 -56.79 16.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.371 -0.831 . . . . 1.3 111.967 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -60.95 -38.63 86.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 2.1899999999999999 111.357 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.04 -45.32 95.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.987 -0.551 . . . . 1.1200000000000001 110.927 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.412 HD22 HD12 ' A' ' 75' ' ' LEU . 50.2 tp -63.87 -46.25 85.77 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.968 -0.382 . . . . 1.0800000000000001 109.968 176.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -55.31 -33.76 63.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.077 -0.511 . . . . 2.1699999999999999 111.711 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.604 ' NH2' HG21 ' A' ' 15' ' ' VAL . 4.2 mmp_? -71.19 -33.8 70.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.452 -0.155 . . . . 3.6600000000000001 111.192 177.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.76 91.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.703 0.287 . . . . 0.48999999999999999 111.451 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.468 ' HB3' ' OH ' ' A' ' 40' ' ' TYR . 3.0 mm? -67.25 -24.96 65.86 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.493 0.663 . . . . 0.79000000000000004 110.482 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.604 HG21 ' NH2' ' A' ' 12' ' ' ARG . 59.6 t -84.97 -23.56 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.601 -0.727 . . . . 0.70999999999999996 110.362 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.478 ' OE1' ' HD2' ' A' ' 51' ' ' ARG . 41.8 mt-10 -74.8 -34.84 62.47 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.982 -0.554 . . . . 1.49 110.975 175.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.8 p -82.53 -61.73 1.81 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.865 0.364 . . . . 1.25 111.299 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 CA-C-O 121.096 0.474 . . . . 1.6799999999999999 110.599 -178.848 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.407 ' N ' HD12 ' A' ' 26' ' ' LEU . 6.7 mp . . . . . 0 C--O 1.237 0.415 0 CA-C-O 120.913 0.387 . . . . 1.6000000000000001 110.873 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.0 m -81.69 85.26 6.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.032 0.444 . . . . 2.0800000000000001 110.523 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.47 -118.07 1.29 Allowed Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.648 -0.787 . . . . 1.8400000000000001 111.93 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -104.93 150.82 24.57 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.596 -0.52 . . . . 2.77 109.596 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -169.66 -24.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.701 0.286 . . . . 0.92000000000000004 111.123 -174.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.826 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 91.7 mt -56.85 -22.45 36.94 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.047 0.388 . . . . 0.78000000000000003 112.047 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -92.43 -13.39 30.09 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.247 0.546 . . . . 2.29 110.442 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.8 mt -86.12 127.45 34.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.748 -0.66 . . . . 1.23 109.999 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.9 mtt85 -67.6 152.3 45.87 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.358 -0.383 . . . . 2.8799999999999999 110.101 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -54.07 -32.89 56.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.417 -0.356 . . . . 0.58999999999999997 111.147 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.35 -31.12 68.91 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.038 -0.528 . . . . 2.6000000000000001 111.479 175.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -86.28 -33.74 20.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.337 -0.392 . . . . 2.0299999999999998 111.187 -174.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.468 HG13 ' HD1' ' A' ' 40' ' ' TYR . 28.9 pt -88.46 13.94 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.953 0.406 . . . . 0.67000000000000004 111.577 -177.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.56 38.12 61.83 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.734 -0.666 . . . . 0.62 114.275 171.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.468 ' OH ' ' HB3' ' A' ' 14' ' ' LEU . 34.9 m-85 -106.6 119.65 39.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.496 0.648 . . . . 0.70999999999999996 110.941 175.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -77.85 -62.48 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.836 -1.074 . . . . 1.9299999999999999 111.64 -173.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.5 p 174.1 -49.49 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.743 -0.836 . . . . 0.91000000000000003 108.743 -173.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.49 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -64.78 -46.39 82.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.128 -0.942 . . . . 1.3200000000000001 109.295 178.319 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.66 -26.02 68.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.46999999999999997 110.68 177.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.2 tp -75.37 -46.16 34.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.985 -0.552 . . . . 0.75 110.694 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.0 ptm -68.44 -31.64 71.1 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.64 -0.255 . . . . 1.26 111.333 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 11.2 mm-40 -64.25 -38.61 91.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.077 0.465 . . . . 2.2000000000000002 110.449 176.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.3 m -63.35 -33.9 76.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.737 -0.665 . . . . 0.54000000000000004 111.27 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.73 -44.81 77.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.46000000000000002 111.488 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.18 -32.54 72.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.055 -0.521 . . . . 0.48999999999999999 110.79 -176.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.478 ' HD2' ' OE1' ' A' ' 16' ' ' GLU . 10.9 mmt180 -66.92 -33.47 75.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.422 -0.808 . . . . 2.8599999999999999 110.854 -178.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.6 mt -83.48 -48.06 10.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.149 -0.478 . . . . 0.56000000000000005 110.619 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.543 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 50.3 mt-10 -58.76 -52.16 66.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.774 -0.648 . . . . 0.51000000000000001 111.374 -176.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.9 t -67.42 -21.64 65.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.291 -0.413 . . . . 1.4199999999999999 111.321 -176.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -82.89 -48.22 10.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.539 -0.301 . . . . 2.4199999999999999 111.265 -176.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -99.07 2.93 46.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.494 -0.321 . . . . 1.0800000000000001 111.494 -174.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.13 34.0 69.77 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.882 -0.675 . . . . 0.57999999999999996 112.401 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.543 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 28.2 m -110.67 -170.57 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.853 0.358 . . . . 0.45000000000000001 111.202 -177.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.456 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 19.4 p -157.78 133.88 9.42 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.011 -0.737 . . . . 1.6200000000000001 109.011 174.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.433 HG22 ' HB2' ' A' ' 65' ' ' ALA . 56.1 mt -95.9 117.37 66.41 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 116.398 -0.365 . . . . 0.59999999999999998 110.863 -175.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 23.8 Cg_exo -64.48 134.77 42.9 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.629 2.219 . . . . 0.81000000000000005 111.754 178.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -62.24 -22.48 66.01 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.081 -0.509 . . . . 1.99 112.263 -174.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -78.01 -50.84 11.33 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.192 0.52 . . . . 2.4399999999999999 110.251 175.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.5 t -70.75 -27.07 29.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.64 -0.709 . . . . 1.1399999999999999 110.852 -174.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.433 ' HB2' HG22 ' A' ' 60' ' ' ILE . . . -61.87 -34.4 75.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.124 0.488 . . . . 0.68000000000000005 111.331 177.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.86 10.49 74.75 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.816 -0.707 . . . . 0.77000000000000002 112.62 -177.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -91.94 -25.4 18.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.722 0.296 . . . . 3.6299999999999999 110.656 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.502 HG21 HD23 ' A' ' 74' ' ' LEU . 34.2 m -95.53 156.85 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.846 0.355 . . . . 0.94999999999999996 111.757 -177.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -135.38 -12.1 2.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.925 -0.58 . . . . 1.75 110.432 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.425 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 21.1 p -125.66 140.5 36.67 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.152 -0.476 . . . . 0.5 110.872 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.495 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 80.2 Cg_exo -51.59 -44.21 45.58 Favored 'Trans proline' 0 N--CA 1.476 0.453 0 C-N-CA 123.948 3.098 . . . . 0.38 114.299 -176.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.826 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 44.8 ttm105 -52.94 -45.99 67.93 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.855 0.359 . . . . 3.5600000000000001 111.723 -176.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.56 -38.66 87.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.893 -0.594 . . . . 2.4300000000000002 110.269 -176.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.502 HD23 HG21 ' A' ' 68' ' ' VAL . 2.9 tm? -65.15 -45.15 86.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.841 -0.618 . . . . 1.22 109.988 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.539 ' HG ' ' HG ' ' A' ' 5' ' ' LEU . 5.5 tt -58.75 -49.75 76.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.71 -0.677 . . . . 1.1200000000000001 110.518 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.53 -34.26 77.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.068 -0.515 . . . . 1.4299999999999999 110.889 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.9 tp -60.19 -53.4 58.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.728 -0.669 . . . . 1.6599999999999999 111.519 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.2 mt -64.38 -37.57 80.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.921 0.391 . . . . 0.40999999999999998 110.989 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -66.16 -26.14 67.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 1.6699999999999999 111.234 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -58.66 -38.88 92.63 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.527 -0.844 . . . . 0.54000000000000004 111.846 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.05 -27.77 61.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.72999999999999998 111.151 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.6 mt -81.64 -36.78 28.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.292 -0.413 . . . . 0.87 110.884 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 1.05 111.68 -176.942 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.4 mt . . . . . 0 C--O 1.236 0.354 0 N-CA-C 109.708 -0.479 . . . . 0.88 109.708 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.71 HD21 ' HB2' ' A' ' 10' ' ' LEU . 5.4 tt -82.85 121.36 26.84 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.046 -0.724 . . . . 1.0 109.046 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 50.5 p -111.5 167.91 9.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.307 -0.406 . . . . 1.21 110.463 -178.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 p -59.65 -34.27 72.61 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.083 -0.247 . . . . 1.3 111.28 175.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -72.09 -44.09 63.79 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 121.16 -0.216 . . . . 2.1899999999999999 110.646 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.86 -49.72 76.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.388 -0.369 . . . . 1.1200000000000001 110.677 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.71 ' HB2' HD21 ' A' ' 5' ' ' LEU . 50.0 tp -60.75 -46.06 91.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.955 -0.566 . . . . 1.0800000000000001 110.204 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.469 ' O ' HG23 ' A' ' 15' ' ' VAL . 46.0 ttp180 -54.0 -48.58 70.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.858 -0.61 . . . . 2.1699999999999999 110.89 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -68.51 -37.03 79.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.33 -0.396 . . . . 3.6600000000000001 110.939 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.26 -41.54 89.05 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.317 -0.401 . . . . 0.48999999999999999 111.183 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.438 ' HG ' HG21 ' A' ' 48' ' ' THR . 2.5 mt -67.86 -36.11 79.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.855 -0.611 . . . . 0.79000000000000004 111.024 178.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 11' ' ' ARG . 61.3 t -72.68 -37.0 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.70999999999999996 110.789 178.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.27 -33.35 73.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 1.49 110.669 176.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 m -82.8 -54.46 5.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.848 -0.614 . . . . 1.25 110.664 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.534 0 CA-C-N 115.896 -0.593 . . . . 1.6799999999999999 110.367 -179.906 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.243 -0.651 . . . . 1.6000000000000001 109.243 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.4 p -54.11 -67.04 0.29 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.299 -0.864 . . . . 2.0800000000000001 112.691 -173.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.99 -108.26 1.45 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.516 -0.85 . . . . 1.8400000000000001 112.683 -177.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -106.37 148.54 27.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.236 0.541 . . . . 2.77 111.079 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.419 ' HA ' HD23 ' A' ' 33' ' ' LEU . 39.2 p90 -145.96 -4.67 0.63 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.356 -0.838 . . . . 0.92000000000000004 110.281 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.637 ' O ' ' HB ' ' A' ' 70' ' ' THR . 37.0 mt -59.28 -24.22 63.06 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.454 0.538 . . . . 0.78000000000000003 112.454 -174.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -92.53 -16.0 26.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.087 0.47 . . . . 2.29 111.346 -175.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 30' ' ' PHE . 3.5 mm? -88.45 134.69 33.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 1.23 110.894 -177.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -71.54 143.33 49.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.529 -0.305 . . . . 2.8799999999999999 110.703 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -53.69 -39.44 65.14 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.29 -0.414 . . . . 0.58999999999999997 111.258 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -56.47 -33.13 65.65 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.759 -0.655 . . . . 2.6000000000000001 111.477 -178.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.99 -34.66 19.18 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.341 0.497 . . . . 2.0299999999999998 112.341 -174.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.469 HG13 ' HD2' ' A' ' 40' ' ' TYR . 14.9 pt -87.25 24.54 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.705 0.631 . . . . 0.67000000000000004 112.705 -173.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.28 35.88 83.58 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.784 -0.644 . . . . 0.62 114.198 170.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.469 ' HD2' HG13 ' A' ' 38' ' ' ILE . 53.4 m-85 -111.8 110.18 20.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.308 0.575 . . . . 0.70999999999999996 110.859 174.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -78.35 169.31 18.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.072 -0.967 . . . . 1.9299999999999999 110.069 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -53.26 44.05 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 112.54 0.57 . . . . 0.91000000000000003 112.54 -175.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' A' ' 46' ' ' MET . 38.7 tp -61.95 -46.12 90.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.466 -0.334 . . . . 1.3200000000000001 110.556 -178.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.61 -36.35 80.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.38 -0.373 . . . . 0.46999999999999997 111.075 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.9 tp -67.43 -45.37 76.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.183 -0.462 . . . . 0.75 110.915 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.448 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 4.8 ppp? -75.43 -27.62 59.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.636 0.255 . . . . 1.26 110.858 -178.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -62.17 -41.56 98.44 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.162 0.506 . . . . 2.2000000000000002 110.042 172.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.438 HG21 ' HG ' ' A' ' 14' ' ' LEU . 39.9 m -60.54 -41.85 95.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.596 -0.729 . . . . 0.54000000000000004 110.32 177.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.477 ' HB1' HD12 ' A' ' 60' ' ' ILE . . . -56.58 -42.33 78.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.972 -0.558 . . . . 0.46000000000000002 110.997 177.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.11 -38.46 91.25 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.141 -0.481 . . . . 0.48999999999999999 110.382 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -61.55 -36.42 80.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.698 -0.683 . . . . 2.8599999999999999 110.516 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.8 mt -72.12 -51.02 23.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.99 -0.55 . . . . 0.56000000000000005 110.815 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.582 ' OE2' ' HA ' ' A' ' 59' ' ' SER . 43.0 mt-10 -58.56 -42.61 88.34 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.286 -0.416 . . . . 0.51000000000000001 110.605 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.5 t -65.49 -21.49 66.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.177 -0.465 . . . . 1.4199999999999999 112.038 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -91.11 -47.43 7.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.681 0.277 . . . . 2.4199999999999999 111.376 -176.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.489 ' OH ' ' HA ' ' A' ' 5' ' ' LEU . 75.6 m-85 -95.34 -20.2 19.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.547 -0.297 . . . . 1.0800000000000001 111.733 -173.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.6 32.79 26.63 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.718 -0.754 . . . . 0.57999999999999996 111.812 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 31.0 m -101.54 -173.7 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.798 0.333 . . . . 0.45000000000000001 111.334 -176.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.582 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 8.5 p -148.51 124.93 10.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.645 -0.707 . . . . 1.6200000000000001 109.917 176.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.477 HD12 ' HB1' ' A' ' 49' ' ' ALA . 49.6 mt -94.33 120.73 64.93 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.661 -0.245 . . . . 0.59999999999999998 110.702 -177.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 43.8 Cg_exo -58.56 139.76 91.99 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.195 2.597 . . . . 0.81000000000000005 113.123 -178.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -56.53 -40.55 75.28 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.685 -0.689 . . . . 1.99 111.66 -177.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -79.55 -47.19 15.95 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.385 -0.825 . . . . 2.4399999999999999 111.921 -171.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.8 t -73.34 -28.34 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.841 0.353 . . . . 1.1399999999999999 111.205 -175.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.47 ' HB2' HG22 ' A' ' 60' ' ' ILE . . . -58.82 -42.39 89.08 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.41 0.522 . . . . 0.68000000000000005 112.41 -175.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.75 9.82 74.99 Favored Glycine 0 C--N 1.319 -0.365 0 C-N-CA 120.789 -0.719 . . . . 0.77000000000000002 113.085 -175.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -106.28 1.32 25.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.677 0.275 . . . . 3.6299999999999999 111.55 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.3 m -94.15 175.36 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.694 -0.23 . . . . 0.94999999999999996 111.007 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -142.7 -42.5 0.32 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.004 0.431 . . . . 1.75 111.777 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.637 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 61.2 p -104.82 143.82 27.49 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.06 -0.518 . . . . 0.5 111.196 -175.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.503 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 74.9 Cg_exo -52.97 -30.88 50.51 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.289 2.659 . . . . 0.38 112.818 176.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.555 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -56.2 -46.49 79.42 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.426 -0.352 . . . . 3.5600000000000001 110.168 178.506 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -64.31 -41.94 96.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.03 -0.532 . . . . 2.4300000000000002 110.943 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 74' ' ' LEU . 0.4 OUTLIER -61.18 -48.14 82.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.269 0.557 . . . . 1.22 109.626 179.651 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.508 ' HG ' HD22 ' A' ' 5' ' ' LEU . 10.3 tt -58.64 -48.3 81.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.402 -0.817 . . . . 1.1200000000000001 110.525 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -65.19 -37.9 88.79 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.687 -0.688 . . . . 1.4299999999999999 111.577 -177.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.32 -52.03 66.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.739 0.304 . . . . 1.6599999999999999 111.316 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.2 mt -68.21 -36.06 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.859 0.362 . . . . 0.40999999999999998 110.503 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -64.61 -40.5 95.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.458 . . . . 1.6699999999999999 110.948 177.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.94 -39.35 97.43 Favored Glycine 0 CA--C 1.516 0.124 0 C-N-CA 121.146 -0.55 . . . . 0.54000000000000004 112.78 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.89 -26.6 63.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.903 0.382 . . . . 0.72999999999999998 111.239 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.5 mt -86.13 -29.28 23.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.272 -0.422 . . . . 0.87 111.021 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.203 -0.453 . . . . 1.05 111.607 -176.679 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.9 mt . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.396 -0.594 . . . . 0.88 109.396 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.597 ' HA ' ' CZ ' ' A' ' 56' ' ' TYR . 6.1 tt -79.71 123.22 27.47 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.186 -0.672 . . . . 1.0 109.186 -177.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.41 148.32 22.9 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.924 -0.58 . . . . 1.21 111.452 -177.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.9 p -58.29 -36.95 74.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.599 -0.728 . . . . 1.3 110.783 177.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.33 -46.7 88.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.453 -0.794 . . . . 2.1899999999999999 110.718 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.08 -44.8 87.72 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.195 -0.457 . . . . 1.1200000000000001 110.983 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.411 ' O ' HD23 ' A' ' 14' ' ' LEU . 37.8 tp -59.63 -42.66 93.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 1.0800000000000001 110.345 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -54.04 -41.59 68.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.032 -0.531 . . . . 2.1699999999999999 110.233 176.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -72.98 -40.32 65.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.074 -0.512 . . . . 3.6600000000000001 111.296 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.66 -38.43 78.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.48999999999999999 111.604 -173.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.664 HD13 HG21 ' A' ' 48' ' ' THR . 4.6 mm? -62.58 -48.21 80.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.853 0.359 . . . . 0.79000000000000004 110.277 177.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.7 t -67.57 -42.83 87.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.70999999999999996 110.79 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.51 -36.98 74.66 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.191 -0.459 . . . . 1.49 111.337 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.542 ' OG ' ' HA ' ' A' ' 48' ' ' THR . 16.3 m -80.3 -33.76 37.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.443 -0.344 . . . . 1.25 111.103 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 120.967 0.413 . . . . 1.6799999999999999 110.578 177.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.3 mp . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 109.278 -0.638 . . . . 1.6000000000000001 109.278 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.8 m -71.31 92.82 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.333 -0.849 . . . . 2.0800000000000001 111.719 -174.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.6 -72.44 2.68 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.096 -0.573 . . . . 1.8400000000000001 112.122 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -103.79 156.19 18.01 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.318 -0.253 . . . . 2.77 110.318 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -178.8 -25.13 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.07 -0.514 . . . . 0.92000000000000004 110.473 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.728 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 87.2 mt -54.47 -23.64 17.03 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.831 -0.622 . . . . 0.78000000000000003 112.116 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -89.81 -18.06 26.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.855 -0.612 . . . . 2.29 111.155 -170.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.9 mt -89.99 152.89 20.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.383 -0.371 . . . . 1.23 110.619 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -69.59 152.41 44.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.602 0.239 . . . . 2.8799999999999999 110.702 175.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -57.55 -41.78 81.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.899 0.381 . . . . 0.58999999999999997 110.557 173.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -60.74 -23.19 64.76 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.964 -0.562 . . . . 2.6000000000000001 111.4 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -85.89 -33.25 21.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.094 0.473 . . . . 2.0299999999999998 109.994 -173.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.483 HG13 ' HD1' ' A' ' 40' ' ' TYR . 13.0 pt -90.31 14.71 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.922 -0.581 . . . . 0.67000000000000004 111.833 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.46 25.72 56.17 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 114.58 0.592 . . . . 0.62 114.58 171.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.483 ' HD1' HG13 ' A' ' 38' ' ' ILE . 85.8 m-85 -111.69 118.84 36.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.586 0.693 . . . . 0.70999999999999996 110.879 178.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -94.95 -172.49 2.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.535 -0.757 . . . . 1.9299999999999999 110.811 -175.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 80.5 p -51.17 -61.18 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 123.406 0.682 . . . . 0.91000000000000003 112.527 -173.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.425 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 57.6 tp -59.54 -51.62 69.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.789 -0.641 . . . . 1.3200000000000001 111.618 -175.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.19 -29.76 70.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.46999999999999997 111.324 -175.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.2 tp -62.26 -51.24 68.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.172 -0.467 . . . . 0.75 111.11 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.4 ptm -70.03 -31.76 69.57 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.932 -0.307 . . . . 1.26 110.989 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 50.7 mt-10 -64.92 -39.5 93.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.89 0.376 . . . . 2.2000000000000002 110.044 178.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.664 HG21 HD13 ' A' ' 14' ' ' LEU . 32.9 m -62.16 -42.6 99.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.808 -0.633 . . . . 0.54000000000000004 110.895 176.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.33 -39.13 72.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.032 -0.531 . . . . 0.46000000000000002 111.909 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.47 -30.39 71.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.186 0.517 . . . . 0.48999999999999999 110.967 -177.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.763 ' HE ' ' HA ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -66.79 -36.19 81.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.81 -0.632 . . . . 2.8599999999999999 110.718 -179.248 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.467 HD22 HD11 ' A' ' 5' ' ' LEU . 86.3 mt -69.79 -44.11 70.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.737 -0.665 . . . . 0.56000000000000005 110.279 179.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.538 ' HA ' HG22 ' A' ' 58' ' ' VAL . 51.5 mt-10 -58.58 -49.15 78.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.856 -0.611 . . . . 0.51000000000000001 111.121 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.4 m -62.31 -35.72 79.91 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.404 -0.362 . . . . 1.4199999999999999 111.633 -176.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -75.58 -44.61 42.28 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.268 -0.424 . . . . 2.4199999999999999 111.663 -173.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.597 ' CZ ' ' HA ' ' A' ' 5' ' ' LEU . 93.3 m-85 -98.5 -8.98 25.71 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.043 0.386 . . . . 1.0800000000000001 112.043 -175.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.65 42.98 45.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.674 -0.774 . . . . 0.57999999999999996 112.074 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.538 HG22 ' HA ' ' A' ' 53' ' ' GLU . 28.9 m -112.36 -174.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.739 0.304 . . . . 0.45000000000000001 110.883 -178.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.7 m -143.62 117.8 9.54 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.416 -0.587 . . . . 1.6200000000000001 109.416 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 69.1 mt -91.96 111.94 52.35 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.939 0.4 . . . . 0.59999999999999998 110.854 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 17.5 Cg_exo -66.53 125.81 14.48 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.784 2.323 . . . . 0.81000000000000005 111.671 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -65.2 -7.39 12.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.401 . . . . 1.99 111.403 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -74.98 -55.62 5.58 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.645 -0.502 . . . . 2.4399999999999999 109.645 172.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.494 HG11 HD13 ' A' ' 77' ' ' LEU . 4.0 t -76.71 -20.47 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.869 -0.605 . . . . 1.1399999999999999 110.766 -177.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.84 -28.57 68.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.9 -0.591 . . . . 0.68000000000000005 110.798 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -97.41 12.79 64.86 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.658 -0.782 . . . . 0.77000000000000002 112.002 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.459 ' HD3' ' HA ' ' A' ' 64' ' ' VAL . 79.8 mtp180 -107.67 -6.29 16.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.969 0.414 . . . . 3.6299999999999999 110.776 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.3 m -99.43 167.61 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.289 -0.414 . . . . 0.94999999999999996 110.935 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -147.87 -37.08 0.2 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.341 0.591 . . . . 1.75 109.454 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.5 p -112.4 148.34 38.97 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.834 -0.621 . . . . 0.5 110.809 177.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.728 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 53.2 Cg_exo -55.53 -29.11 68.03 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.118 2.546 . . . . 0.38 112.001 176.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.402 ' NH2' ' HB2' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -53.08 -47.78 68.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.802 -0.635 . . . . 3.5600000000000001 110.164 175.877 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -68.67 -45.1 72.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.78 -0.645 . . . . 2.4300000000000002 110.951 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 74' ' ' LEU . 1.9 tm? -57.26 -45.12 84.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.878 -0.601 . . . . 1.22 110.113 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.8 tp -57.12 -45.81 83.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.458 -0.792 . . . . 1.1200000000000001 110.968 177.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.402 ' HB2' ' NH2' ' A' ' 72' ' ' ARG . 7.9 t70 -69.62 -27.04 64.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.249 0.547 . . . . 1.4299999999999999 110.907 -175.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.494 HD13 HG11 ' A' ' 64' ' ' VAL . 61.7 tp -65.16 -59.4 4.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.798 -0.637 . . . . 1.6599999999999999 110.895 177.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 50.6 mt -67.87 -45.22 84.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.095 -0.502 . . . . 0.40999999999999998 110.913 -175.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -61.87 -36.7 82.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.597 -0.274 . . . . 1.6699999999999999 110.974 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.42 -35.92 91.75 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 121.107 -0.568 . . . . 0.54000000000000004 112.419 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.31 -45.38 55.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.772 0.32 . . . . 0.72999999999999998 110.858 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.1 mt -68.43 -28.58 67.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.87 111.744 -176.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.408 0 N-CA-C 112.197 0.444 . . . . 1.05 112.197 -177.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 45.0 mt . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.987 0.422 . . . . 0.88 111.227 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.482 HD11 HD22 ' A' ' 52' ' ' LEU . 1.6 tt -81.13 122.94 27.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.661 -0.699 . . . . 1.0 109.512 -177.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.447 ' H ' ' HB2' ' A' ' 9' ' ' ASP . 41.6 p -104.39 171.06 7.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.691 0.282 . . . . 1.21 111.063 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p -62.41 -36.16 81.48 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.825 -0.17 . . . . 1.3 111.34 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -71.38 -37.33 71.61 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.067 0.461 . . . . 2.1899999999999999 110.243 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.447 ' HB2' ' H ' ' A' ' 6' ' ' THR . 1.6 m-20 -58.5 -45.47 88.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.638 -0.71 . . . . 1.1200000000000001 110.172 174.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.5 tp -68.61 -39.54 80.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.528 -0.76 . . . . 1.0800000000000001 110.081 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.0 ttp85 -53.41 -51.51 62.36 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.205 -0.452 . . . . 2.1699999999999999 110.614 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.477 ' HB3' ' OE1' ' A' ' 16' ' ' GLU . 17.3 mtp180 -61.83 -41.78 98.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.869 -0.605 . . . . 3.6600000000000001 111.344 178.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.19 -38.05 85.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.48999999999999999 112.08 -173.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.481 HD13 HG21 ' A' ' 48' ' ' THR . 4.5 mm? -72.86 -49.27 31.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.662 -0.245 . . . . 0.79000000000000004 111.009 178.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.02 -52.09 63.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 120.813 0.34 . . . . 0.70999999999999996 111.651 -176.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.477 ' OE1' ' HB3' ' A' ' 12' ' ' ARG . 44.6 mt-10 -68.17 -23.32 64.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.335 -0.393 . . . . 1.49 111.994 -177.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -83.56 -29.51 27.77 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.957 -0.297 . . . . 1.25 110.528 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.358 . . . . 1.6799999999999999 110.86 179.923 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.513 -0.551 . . . . 1.6000000000000001 109.513 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 t -95.31 -25.92 16.13 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.729 -0.669 . . . . 2.0800000000000001 109.923 -177.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.02 -166.43 28.37 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.626 -0.797 . . . . 1.8400000000000001 112.112 175.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -78.66 87.14 4.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.178 0.513 . . . . 2.77 109.898 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -92.55 2.36 56.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.287 -0.415 . . . . 0.92000000000000004 111.883 -173.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.847 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 23.8 mt -56.4 -23.97 41.66 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.878 0.695 . . . . 0.78000000000000003 112.878 -177.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -93.0 -11.35 33.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.936 0.398 . . . . 2.29 111.467 -177.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.8 mt -87.33 113.01 22.67 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.049 -0.523 . . . . 1.23 110.213 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.501 ' HD2' ' OD2' ' A' ' 69' ' ' ASP . 23.1 mtm180 -67.65 147.92 52.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.405 -0.361 . . . . 2.8799999999999999 110.673 -175.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -53.07 -43.31 66.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.58999999999999997 110.772 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -54.26 -37.52 64.77 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.768 -0.651 . . . . 2.6000000000000001 112.08 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -85.0 -27.7 26.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.644 -0.253 . . . . 2.0299999999999998 111.106 -173.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.484 HG12 ' O ' ' A' ' 34' ' ' ARG . 17.3 pt -93.97 18.64 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.884 0.373 . . . . 0.67000000000000004 111.849 -178.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.64 -0.28 89.48 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 121.132 -0.556 . . . . 0.62 113.848 171.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.469 ' HD2' HG13 ' A' ' 38' ' ' ILE . 56.8 m-85 -89.35 98.71 11.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.441 -0.447 . . . . 0.70999999999999996 110.839 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -83.78 178.65 7.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.496 -0.774 . . . . 1.9299999999999999 110.093 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.7 p -51.16 -45.52 61.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.611 -0.722 . . . . 0.91000000000000003 111.841 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.596 ' O ' ' HG3' ' A' ' 46' ' ' MET . 51.1 tp -66.73 -48.5 68.97 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 116.499 -0.319 . . . . 1.3200000000000001 110.694 -177.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.27 77.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.332 0.587 . . . . 0.46999999999999997 110.702 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.8 tp -68.9 -46.9 67.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.892 -0.594 . . . . 0.75 111.118 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.596 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 4.4 ppp? -66.24 -31.69 72.65 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.628 -0.26 . . . . 1.26 110.918 -177.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -62.23 -46.36 89.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.621 0.724 . . . . 2.2000000000000002 110.032 174.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.481 HG21 HD13 ' A' ' 14' ' ' LEU . 22.6 m -66.07 -19.7 65.93 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.133 -0.939 . . . . 0.54000000000000004 112.038 -178.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.42 -41.54 80.59 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.067 0.461 . . . . 0.46000000000000002 111.344 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.49 -29.92 70.28 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.637 -0.711 . . . . 0.48999999999999999 110.817 -177.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.594 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 39.4 mmt180 -62.4 -39.23 92.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.201 -0.908 . . . . 2.8599999999999999 110.844 -176.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.482 HD22 HD11 ' A' ' 5' ' ' LEU . 76.8 mt -83.24 -46.26 12.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.068 -0.515 . . . . 0.56000000000000005 111.305 -176.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.469 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 55.4 mt-10 -57.41 -53.3 59.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.337 -0.392 . . . . 0.51000000000000001 111.622 -177.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.5 t -64.53 -35.48 81.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.778 0.323 . . . . 1.4199999999999999 111.146 -178.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.594 ' HB2' ' O ' ' A' ' 51' ' ' ARG . 50.6 ttt180 -64.05 -51.53 63.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 2.4199999999999999 111.431 -173.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.467 ' CZ ' ' HG ' ' A' ' 5' ' ' LEU . 58.5 m-85 -98.18 -14.94 20.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.532 -0.304 . . . . 1.0800000000000001 111.641 -174.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.65 34.82 10.99 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.81 -0.71 . . . . 0.57999999999999996 111.927 -178.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.469 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 32.9 m -106.5 -169.42 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.672 0.272 . . . . 0.45000000000000001 110.7 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.8 t -157.35 135.71 11.22 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.124 -0.695 . . . . 1.6200000000000001 109.124 172.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 43.7 mt -96.34 122.26 58.12 Favored Pre-proline 0 C--N 1.317 -0.817 0 CA-C-N 116.361 -0.382 . . . . 0.59999999999999998 110.358 -177.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.434 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 76.7 Cg_exo -51.55 133.08 42.84 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.868 2.379 . . . . 0.81000000000000005 112.036 178.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.15 -50.27 69.72 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.834 -0.621 . . . . 1.99 111.859 -171.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -79.01 -38.08 37.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.212 -0.449 . . . . 2.4399999999999999 111.427 -174.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.434 ' HB ' ' HB2' ' A' ' 61' ' ' PRO . 42.7 t -72.36 -22.87 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.081 0.467 . . . . 1.1399999999999999 111.099 -176.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.27 -29.47 69.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.137 -0.483 . . . . 0.68000000000000005 111.479 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -105.01 21.68 35.29 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 121.054 -0.593 . . . . 0.77000000000000002 112.049 -177.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.597 ' HA ' ' HE ' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -99.95 -12.73 19.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.095 0.474 . . . . 3.6299999999999999 111.003 -179.513 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.569 HG21 HD23 ' A' ' 74' ' ' LEU . 35.2 m -89.7 172.88 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.387 -0.369 . . . . 0.94999999999999996 111.214 -176.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.501 ' OD2' ' HD2' ' A' ' 34' ' ' ARG . 19.2 t70 -143.84 -45.32 0.27 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.958 -0.565 . . . . 1.75 110.322 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.9 p -104.12 150.49 38.39 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.021 -0.536 . . . . 0.5 111.399 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.473 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 50.8 Cg_exo -56.05 -33.89 90.98 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.183 2.588 . . . . 0.38 112.748 178.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.847 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 45.4 ttm180 -56.36 -46.79 79.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.341 -0.39 . . . . 3.5600000000000001 110.776 177.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -65.04 -41.87 94.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.094 -0.503 . . . . 2.4300000000000002 110.541 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.569 HD23 HG21 ' A' ' 68' ' ' VAL . 2.5 tm? -60.22 -50.52 73.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.832 -0.622 . . . . 1.22 109.96 178.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 46.3 tp -59.52 -53.09 62.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.96 -0.564 . . . . 1.1200000000000001 110.919 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -62.19 -34.82 77.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 1.4299999999999999 111.359 -174.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -63.7 -54.42 35.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.813 0.34 . . . . 1.6599999999999999 110.249 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 66.1 mt -67.68 -39.26 81.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.038 0.447 . . . . 0.40999999999999998 110.845 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -63.13 -43.6 97.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.103 -0.499 . . . . 1.6699999999999999 110.018 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.4 -32.79 80.2 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.654 -0.703 . . . . 0.54000000000000004 112.492 178.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.28 -38.37 84.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.956 0.408 . . . . 0.72999999999999998 110.031 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.417 HD21 ' CG1' ' A' ' 58' ' ' VAL . 91.1 mt -70.63 -34.26 71.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.487 -0.778 . . . . 0.87 110.6 178.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.015 -0.539 . . . . 1.05 111.57 -179.524 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 CA--C 1.518 -0.286 0 CA-C-O 120.855 0.36 . . . . 0.88 110.774 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.615 ' HG ' ' HG ' ' A' ' 75' ' ' LEU . 15.5 tp -83.93 121.04 26.83 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.631 -0.877 . . . . 1.0 108.631 173.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.463 ' H ' ' HB2' ' A' ' 9' ' ' ASP . 73.2 p -114.49 -179.41 3.62 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.471 -0.492 . . . . 1.21 111.361 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.584 HG22 HD11 ' A' ' 31' ' ' LEU . 2.9 p -56.82 -57.01 14.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.533 -0.758 . . . . 1.3 111.267 177.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.464 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 20.3 m-20 -66.32 -27.14 67.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.926 -0.579 . . . . 2.1899999999999999 111.631 -177.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.463 ' HB2' ' H ' ' A' ' 6' ' ' THR . 22.6 m-20 -64.61 -53.22 51.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.774 0.321 . . . . 1.1200000000000001 110.569 174.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.6 tp -61.26 -39.18 89.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.65 0.738 . . . . 1.0800000000000001 109.338 176.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.496 HH21 ' HA ' ' A' ' 27' ' ' SER . 68.5 ttt180 -53.33 -34.71 58.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.567 -1.197 . . . . 2.1699999999999999 110.969 175.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.804 ' HA ' ' HE ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -82.01 -42.86 18.75 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.543 -0.299 . . . . 3.6600000000000001 111.597 177.019 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.66 91.44 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.6 0.593 . . . . 0.48999999999999999 112.6 -171.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.454 HD12 ' CE1' ' A' ' 40' ' ' TYR . 4.2 mm? -63.07 -38.39 91.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.979 0.418 . . . . 0.79000000000000004 110.266 177.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.2 t -68.59 -35.57 70.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.885 -0.598 . . . . 0.70999999999999996 110.74 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.455 ' CD ' HH21 ' A' ' 51' ' ' ARG . 48.0 mt-10 -57.64 -43.02 84.55 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.998 0.428 . . . . 1.49 110.813 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.9 m -82.32 -30.18 30.63 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.917 -0.583 . . . . 1.25 111.548 -176.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.384 0 N-CA-C 111.85 0.315 . . . . 1.6799999999999999 111.85 -175.908 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 N--CA 1.446 -0.645 0 N-CA-C 108.839 -0.8 . . . . 1.6000000000000001 108.839 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.496 ' HA ' HH21 ' A' ' 11' ' ' ARG . 7.7 t -124.72 -48.06 1.8 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.51 -0.768 . . . . 2.0800000000000001 110.24 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.78 -141.45 5.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 1.8400000000000001 112.633 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -84.15 87.08 7.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.543 0.687 . . . . 2.77 111.038 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -92.34 -24.87 18.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.583 -0.735 . . . . 0.92000000000000004 111.616 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.584 HD11 HG22 ' A' ' 7' ' ' THR . 62.5 mt -56.75 -28.19 60.72 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.529 0.566 . . . . 0.78000000000000003 112.529 -178.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -94.13 -5.62 46.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.104 0.478 . . . . 2.29 110.691 -174.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.5 mt -91.22 127.87 36.82 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.815 -0.439 . . . . 1.23 109.815 177.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.478 HH11 ' HD2' ' A' ' 34' ' ' ARG . 34.7 mtm105 -69.95 153.86 42.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.801 -0.181 . . . . 2.8799999999999999 110.836 -174.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -54.28 -52.26 61.99 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.391 0.515 . . . . 0.58999999999999997 112.391 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -62.7 -21.29 65.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.001 0.429 . . . . 2.6000000000000001 111.216 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.418 ' HB3' ' O ' ' A' ' 34' ' ' ARG . 9.6 t70 -82.19 -34.68 28.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.058 -0.519 . . . . 2.0299999999999998 110.337 -176.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.448 HG13 ' HD2' ' A' ' 40' ' ' TYR . 7.3 pt -89.07 5.97 4.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.273 -0.422 . . . . 0.67000000000000004 111.312 177.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.17 44.98 42.38 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.953 -0.567 . . . . 0.62 113.426 174.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.454 ' CE1' HD12 ' A' ' 14' ' ' LEU . 24.6 m-85 -111.43 120.45 42.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.124 0.462 . . . . 0.70999999999999996 110.968 175.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -76.42 162.86 27.5 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.426 -0.806 . . . . 1.9299999999999999 111.094 -177.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.4 p -50.98 -50.57 58.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.466 -0.788 . . . . 0.91000000000000003 110.621 174.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.46 ' O ' ' HG2' ' A' ' 46' ' ' MET . 56.3 tp -54.37 -53.38 54.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.003 -0.998 . . . . 1.3200000000000001 111.175 179.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.26 -35.91 81.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.341 -0.39 . . . . 0.46999999999999997 111.283 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.2 tp -69.01 -39.65 79.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.059 -0.519 . . . . 0.75 110.836 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.46 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 11.5 ptt? -69.81 -34.84 74.24 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.795 0.331 . . . . 1.26 110.295 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 5.6 mm-40 -64.06 -40.93 97.36 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.913 0.387 . . . . 2.2000000000000002 110.032 176.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.1 m -61.81 -43.69 98.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.671 -0.695 . . . . 0.54000000000000004 110.599 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.588 ' HB1' HD12 ' A' ' 60' ' ' ILE . . . -56.88 -43.71 81.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.97 -0.559 . . . . 0.46000000000000002 111.062 177.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.99 -36.12 80.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.988 -0.551 . . . . 0.48999999999999999 110.43 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 13.6 mmm180 -59.09 -46.78 87.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.573 -0.739 . . . . 2.8599999999999999 109.73 176.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.0 mt -65.1 -46.07 82.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.827 -0.624 . . . . 0.56000000000000005 111.231 -178.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.52 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 51.8 mt-10 -55.28 -60.44 3.4 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.23 -0.441 . . . . 0.51000000000000001 111.627 -177.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.7 t -68.13 -21.79 64.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.404 -0.362 . . . . 1.4199999999999999 111.638 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -77.67 -47.13 19.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.977 0.418 . . . . 2.4199999999999999 111.234 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -94.97 -15.32 23.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.274 -0.421 . . . . 1.0800000000000001 111.405 -175.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.44 47.51 5.4 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.613 -0.803 . . . . 0.57999999999999996 111.512 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.52 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 31.8 m -128.58 -169.24 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.496 -0.352 . . . . 0.45000000000000001 110.677 -177.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.9 t -158.93 135.61 9.44 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.137 -0.69 . . . . 1.6200000000000001 109.137 173.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.588 HD12 ' HB1' ' A' ' 49' ' ' ALA . 50.6 mt -96.14 124.47 51.59 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 116.32 -0.4 . . . . 0.59999999999999998 110.127 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 24.2 Cg_exo -63.36 145.35 92.61 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.873 2.382 . . . . 0.81000000000000005 112.417 -177.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.53 -40.32 78.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.31 -0.859 . . . . 1.99 111.739 -175.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -84.36 -45.26 12.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.256 -0.429 . . . . 2.4399999999999999 111.501 -175.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.2 t -70.7 -13.41 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 1.1399999999999999 111.061 -173.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.92 -36.23 80.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.559 0.695 . . . . 0.68000000000000005 111.039 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.61 49.02 2.07 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.671 -0.695 . . . . 0.77000000000000002 112.275 -177.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -134.18 14.98 3.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.928 0.394 . . . . 3.6299999999999999 110.801 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.6 m -137.59 151.38 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.94999999999999996 110.163 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -136.08 -5.17 2.13 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.081 -0.248 . . . . 1.75 111.219 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 64.2 p -126.58 147.76 61.85 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.455 -0.339 . . . . 0.5 110.68 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.43 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 50.8 Cg_exo -56.41 -34.36 94.29 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.276 2.651 . . . . 0.38 112.273 177.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.41 -45.45 72.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.631 -0.713 . . . . 3.5600000000000001 110.443 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -65.89 -48.58 71.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.126 -0.488 . . . . 2.4300000000000002 110.857 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.94 -52.04 66.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.675 -0.693 . . . . 1.22 110.239 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.615 ' HG ' ' HG ' ' A' ' 5' ' ' LEU . 3.7 tt -59.55 -44.09 93.36 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.724 -0.671 . . . . 1.1200000000000001 110.767 -178.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -65.45 -44.54 86.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.959 -0.564 . . . . 1.4299999999999999 111.751 -177.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.6 tp -61.41 -47.4 85.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.894 -0.594 . . . . 1.6599999999999999 111.916 -173.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.6 mt -69.57 -28.32 37.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.798 0.333 . . . . 0.40999999999999998 111.019 -177.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -68.13 -36.72 80.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.373 . . . . 1.6699999999999999 110.998 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -59.69 -38.4 93.76 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.107 -0.568 . . . . 0.54000000000000004 112.127 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.44 -40.48 64.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.021 0.438 . . . . 0.72999999999999998 111.313 -178.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.33 -35.6 80.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.195 -0.457 . . . . 0.87 110.985 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.987 -0.551 . . . . 1.05 112.057 -177.901 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.1 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.753 0.311 . . . . 0.88 110.42 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.613 HD21 ' HB2' ' A' ' 10' ' ' LEU . 7.6 tt -78.05 123.49 26.91 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.205 -0.665 . . . . 1.0 109.205 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.4 p -100.08 164.87 11.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.198 -0.455 . . . . 1.21 111.409 -175.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.487 HG22 HD11 ' A' ' 31' ' ' LEU . 6.6 p -56.31 -49.26 74.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.718 -0.673 . . . . 1.3 110.947 175.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.496 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 3.5 m-20 -66.88 -44.15 81.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.438 -0.801 . . . . 2.1899999999999999 111.398 -175.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.57 -37.67 84.71 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.014 -0.274 . . . . 1.1200000000000001 110.851 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.613 ' HB2' HD21 ' A' ' 5' ' ' LEU . 59.1 tp -65.16 -51.79 59.0 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.765 -0.458 . . . . 1.0800000000000001 109.765 175.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -55.97 -47.76 77.06 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.82 -0.627 . . . . 2.1699999999999999 112.024 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.534 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 15.0 ptm180 -67.46 -28.86 68.23 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 121.173 -0.211 . . . . 3.6600000000000001 111.504 -177.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.88 -35.76 79.26 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.743 0.306 . . . . 0.48999999999999999 111.133 -177.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.692 HD13 HG21 ' A' ' 48' ' ' THR . 4.1 mm? -63.54 -43.88 95.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.79000000000000004 110.373 178.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.0 t -71.73 -34.26 51.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.926 -0.579 . . . . 0.70999999999999996 111.079 -177.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 45.3 mt-10 -67.51 -35.65 79.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.294 -0.412 . . . . 1.49 111.321 -177.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.8 m -83.7 -17.64 40.64 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.933 -0.307 . . . . 1.25 111.152 175.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.457 -0.338 . . . . 1.6799999999999999 110.816 178.063 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.8 mt . . . . . 0 C--O 1.235 0.291 0 CA-C-O 120.92 0.39 . . . . 1.6000000000000001 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.8 t -80.34 98.94 7.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.325 0.583 . . . . 2.0800000000000001 109.971 176.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 154.32 -149.54 20.93 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.297 -0.865 . . . . 1.8400000000000001 111.333 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -87.34 69.52 9.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.094 0.473 . . . . 2.77 110.163 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.436 ' O ' ' HG2' ' A' ' 71' ' ' PRO . 37.6 p90 -72.96 -31.3 64.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.005 -0.543 . . . . 0.92000000000000004 110.433 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.74 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 95.6 mt -58.23 -21.23 47.25 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.972 -0.558 . . . . 0.78000000000000003 111.944 177.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -94.47 -19.61 20.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.07 0.462 . . . . 2.29 110.6 -176.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.9 mt -90.67 131.61 36.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.993 -0.549 . . . . 1.23 111.235 -176.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -66.43 143.68 56.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.751 -0.204 . . . . 2.8799999999999999 111.291 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -53.55 -42.21 67.26 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.346 -0.388 . . . . 0.58999999999999997 111.224 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -54.42 -33.14 58.81 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.683 -0.69 . . . . 2.6000000000000001 111.625 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -89.74 -27.38 20.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.802 0.334 . . . . 2.0299999999999998 111.406 -173.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.504 HG13 ' HD2' ' A' ' 40' ' ' TYR . 25.5 pt -87.36 19.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.996 0.427 . . . . 0.67000000000000004 111.54 -178.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.44 21.73 59.8 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.637 -0.792 . . . . 0.62 113.5 172.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.504 ' HD2' HG13 ' A' ' 38' ' ' ILE . 76.1 m-85 -116.21 98.86 6.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.262 0.554 . . . . 0.70999999999999996 110.803 177.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -80.13 -179.74 7.2 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.87 -1.059 . . . . 1.9299999999999999 109.911 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.5 p -50.93 -49.88 58.82 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 122.87 0.468 . . . . 0.91000000000000003 111.706 -177.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.92 -51.39 69.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.816 -0.629 . . . . 1.3200000000000001 111.258 -178.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.1 -37.82 88.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.15 0.5 . . . . 0.46999999999999997 111.007 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.1 tp -63.5 -46.98 83.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.773 -0.648 . . . . 0.75 111.374 -178.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.1 ptm -65.31 -38.59 90.65 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 121.014 -0.274 . . . . 1.26 111.328 -177.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -66.36 -31.57 72.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.132 0.491 . . . . 2.2000000000000002 110.826 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.692 HG21 HD13 ' A' ' 14' ' ' LEU . 43.4 m -67.16 -27.44 67.3 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.237 -0.438 . . . . 0.54000000000000004 111.544 178.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.94 -35.82 71.66 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.066 0.395 . . . . 0.46000000000000002 112.066 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.99 -26.52 68.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.108 -0.496 . . . . 0.48999999999999999 111.066 -175.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -66.53 -35.65 80.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.686 -0.688 . . . . 2.8599999999999999 111.454 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 68.6 mt -83.23 -45.33 13.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.111 0.481 . . . . 0.56000000000000005 110.905 -176.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.422 ' OE1' ' HA ' ' A' ' 59' ' ' SER . 38.7 mt-10 -56.58 -55.44 33.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.472 -0.785 . . . . 0.51000000000000001 111.559 -178.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 55.4 p -66.83 -22.75 65.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 1.4199999999999999 111.738 -175.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -80.34 -51.85 8.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.306 -0.406 . . . . 2.4199999999999999 111.17 -175.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.571 ' CZ ' ' HA ' ' A' ' 5' ' ' LEU . 93.5 m-85 -94.69 -7.49 40.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.613 0.244 . . . . 1.0800000000000001 111.562 -175.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.85 47.17 20.7 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.514 -0.85 . . . . 0.57999999999999996 111.131 -176.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.8 m -124.39 -171.76 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.461 -0.369 . . . . 0.45000000000000001 110.18 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.422 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . 8.6 t -153.97 135.55 14.33 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.149 -0.686 . . . . 1.6200000000000001 109.149 173.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 70.6 mt -93.42 118.15 67.53 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 116.074 -0.512 . . . . 0.59999999999999998 109.965 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.44 127.63 26.07 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.871 2.381 . . . . 0.81000000000000005 112.286 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.3 p-10 -59.77 -34.3 72.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.54 -0.754 . . . . 1.99 112.379 -174.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -77.42 -44.95 27.36 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.767 0.318 . . . . 2.4399999999999999 110.464 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 44.5 t -71.19 -22.06 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.13 -0.486 . . . . 1.1399999999999999 110.54 -176.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.73 -23.42 67.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.961 0.41 . . . . 0.68000000000000005 110.974 176.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.55 -3.34 62.85 Favored Glycine 0 C--O 1.228 -0.254 0 C-N-CA 121.0 -0.619 . . . . 0.77000000000000002 112.159 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.42 -11.98 24.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.846 0.355 . . . . 3.6299999999999999 110.727 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.6 m -89.56 158.88 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.708 -0.478 . . . . 0.94999999999999996 109.708 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -142.68 -47.15 0.32 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.082 0.468 . . . . 1.75 110.901 -176.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.9 p -103.25 150.13 37.63 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.018 -0.537 . . . . 0.5 110.964 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.74 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 53.2 Cg_exo -55.54 -32.75 84.1 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.132 2.555 . . . . 0.38 112.305 177.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -53.46 -52.49 59.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.011 -0.54 . . . . 3.5600000000000001 110.491 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.73 -40.04 90.9 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.895 -0.593 . . . . 2.4300000000000002 110.625 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.56 -48.56 78.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.924 -0.58 . . . . 1.22 110.205 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.538 ' HG ' HD22 ' A' ' 5' ' ' LEU . 5.4 tt -61.05 -51.17 70.33 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.879 -0.6 . . . . 1.1200000000000001 109.966 178.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -56.23 -42.06 76.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.241 -0.436 . . . . 1.4299999999999999 111.564 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.74 -54.0 48.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 1.6599999999999999 111.433 -177.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 43.8 mt -68.51 -33.11 58.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.375 -0.375 . . . . 0.40999999999999998 111.034 -176.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.48 -44.36 74.94 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.859 -0.336 . . . . 1.6699999999999999 110.23 176.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.16 -33.51 87.44 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.203 -0.522 . . . . 0.54000000000000004 112.61 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.3 -39.31 78.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.72999999999999998 110.557 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.3 mt -74.19 -37.9 63.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.031 -0.531 . . . . 0.87 111.514 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 1.05 111.993 -178.396 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.7 mt . . . . . 0 C--O 1.231 0.122 0 N-CA-C 109.718 -0.475 . . . . 0.88 109.718 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.823 HD22 ' HG ' ' A' ' 75' ' ' LEU . 4.1 tt -84.39 122.71 29.32 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.513 -0.551 . . . . 1.0 109.513 -177.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.452 ' H ' ' HB2' ' A' ' 9' ' ' ASP . 38.9 p -111.11 165.97 11.45 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.927 -0.397 . . . . 1.21 109.927 178.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.491 HG23 HD11 ' A' ' 31' ' ' LEU . 3.4 m -56.99 -40.39 76.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 1.3 110.839 175.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -70.71 -39.86 73.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.187 -0.461 . . . . 2.1899999999999999 111.011 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.452 ' HB2' ' H ' ' A' ' 6' ' ' THR . 3.9 m-20 -62.08 -42.77 99.55 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 120.874 0.369 . . . . 1.1200000000000001 110.196 176.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.463 ' HB2' HD21 ' A' ' 5' ' ' LEU . 44.0 tp -63.62 -46.03 87.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.978 -0.555 . . . . 1.0800000000000001 110.024 177.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -54.91 -53.27 57.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.753 -0.658 . . . . 2.1699999999999999 111.115 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -66.83 -29.62 69.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.308 -0.406 . . . . 3.6600000000000001 110.923 -175.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.73 -45.98 90.19 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.432 -0.349 . . . . 0.48999999999999999 110.791 -178.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.568 HD13 HG21 ' A' ' 48' ' ' THR . 4.5 mm? -62.44 -43.52 98.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.078 0.466 . . . . 0.79000000000000004 110.819 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 67.9 t -66.11 -56.19 15.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.704 -0.68 . . . . 0.70999999999999996 111.339 -177.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -76.14 -9.17 58.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.415 . . . . 1.49 111.926 -173.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.2 t -80.44 -40.72 25.79 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.986 -0.376 . . . . 1.25 109.986 174.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.989 -0.55 . . . . 1.6799999999999999 111.139 -178.574 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.7 tp . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 122.051 0.929 . . . . 1.6000000000000001 109.239 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.67 0.58 57.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.853 -1.067 . . . . 2.0800000000000001 111.195 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.08 41.65 2.59 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.955 -0.64 . . . . 1.8400000000000001 112.307 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.7 t0 71.06 156.78 0.16 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.451 0.7 . . . . 2.77 111.174 -176.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -165.45 -26.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.909 -0.587 . . . . 0.92000000000000004 111.05 -176.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.696 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 97.1 mt -55.74 -40.51 72.6 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.818 0.673 . . . . 0.78000000000000003 112.818 -174.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -93.2 -14.6 26.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.206 0.527 . . . . 2.29 110.875 -175.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.6 mt -86.13 146.72 26.47 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.974 -0.557 . . . . 1.23 110.212 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -71.35 149.39 46.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.525 -0.307 . . . . 2.8799999999999999 110.751 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.42 ' HA ' HG12 ' A' ' 38' ' ' ILE . 67.5 m-85 -54.48 -37.43 65.26 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.949 0.404 . . . . 0.58999999999999997 110.492 176.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -56.13 -30.37 62.03 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.5 -0.773 . . . . 2.6000000000000001 111.331 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -92.06 -25.08 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 2.0299999999999998 112.141 -172.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.472 HG13 ' HD2' ' A' ' 40' ' ' TYR . 26.2 pt -87.34 21.97 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.589 -0.445 . . . . 0.67000000000000004 111.844 -176.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.64 17.17 80.22 Favored Glycine 0 CA--C 1.52 0.356 0 CA-C-N 115.928 -0.578 . . . . 0.62 114.085 172.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.472 ' HD2' HG13 ' A' ' 38' ' ' ILE . 57.5 m-85 -107.48 115.41 30.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.55 0.675 . . . . 0.70999999999999996 111.034 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -73.52 161.38 30.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.638 -0.71 . . . . 1.9299999999999999 110.024 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -44.06 55.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 123.438 0.461 . . . . 0.91000000000000003 111.984 178.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.499 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 63.0 tp -57.28 -57.83 10.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 1.3200000000000001 110.868 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.69 -28.65 70.09 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.188 0.518 . . . . 0.46999999999999997 111.189 -177.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.3 tp -64.65 -51.08 64.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.946 -0.57 . . . . 0.75 110.769 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.9 ptt? -72.68 -24.28 61.0 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.821 -0.351 . . . . 1.26 111.153 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 9.9 mm-40 -63.08 -45.9 89.96 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.583 0.706 . . . . 2.2000000000000002 109.536 175.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.568 HG21 HD13 ' A' ' 14' ' ' LEU . 35.6 m -63.36 -29.25 70.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.215 -0.902 . . . . 0.54000000000000004 111.592 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.442 ' HB1' HD12 ' A' ' 60' ' ' ILE . . . -57.53 -41.7 81.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.904 0.383 . . . . 0.46000000000000002 111.398 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.22 -29.35 70.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.747 -0.66 . . . . 0.48999999999999999 110.827 -177.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 51' ' ' ARG . 8.5 mmm180 -72.06 -36.75 69.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.569 -0.741 . . . . 2.8599999999999999 110.447 -177.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.7 mt -67.71 -47.18 70.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.973 0.416 . . . . 0.56000000000000005 110.114 178.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.458 ' OE2' ' HA ' ' A' ' 59' ' ' SER . 55.2 mt-10 -59.04 -47.62 84.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.566 -0.743 . . . . 0.51000000000000001 110.499 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.1 m -65.4 -30.95 71.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.251 -0.431 . . . . 1.4199999999999999 111.705 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -71.71 -53.62 12.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 2.4199999999999999 110.503 -177.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.403 ' OH ' ' HA ' ' A' ' 5' ' ' LEU . 87.9 m-85 -93.74 -8.79 39.74 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.139 0.422 . . . . 1.0800000000000001 112.139 -172.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.45 34.82 49.3 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.33 -0.938 . . . . 0.57999999999999996 111.156 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.45 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 21.7 m -112.2 -173.75 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.039 0.447 . . . . 0.45000000000000001 110.884 -176.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.458 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 8.2 t -146.93 138.14 24.06 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.95 -0.759 . . . . 1.6200000000000001 108.95 170.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.442 HD12 ' HB1' ' A' ' 49' ' ' ALA . 67.6 mt -90.86 118.87 68.92 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.232 -0.44 . . . . 0.59999999999999998 110.072 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.431 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 52.5 Cg_exo -52.95 120.64 7.98 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.718 2.278 . . . . 0.81000000000000005 112.317 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -56.87 -38.51 72.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.387 -0.824 . . . . 1.99 112.348 -175.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -78.92 -40.04 33.12 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.353 0.597 . . . . 2.4399999999999999 110.478 -177.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.431 ' HB ' ' HB2' ' A' ' 61' ' ' PRO . 21.9 t -76.02 -27.03 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.922 -0.581 . . . . 1.1399999999999999 111.544 -176.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.422 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -61.24 -37.2 82.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.359 . . . . 0.68000000000000005 111.108 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.54 9.74 41.01 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.724 -0.671 . . . . 0.77000000000000002 112.702 -178.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -100.52 -16.62 17.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.618 0.246 . . . . 3.6299999999999999 110.818 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 65' ' ' ALA . 18.9 m -96.2 159.78 2.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 120.898 0.38 . . . . 0.94999999999999996 111.352 -176.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -143.68 -1.4 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.785 -0.643 . . . . 1.75 110.345 174.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 p -135.53 136.86 24.72 Favored Pre-proline 0 N--CA 1.449 -0.482 0 CA-C-N 115.855 -0.611 . . . . 0.5 111.314 -173.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.696 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 89.8 Cg_exo -50.53 -40.77 54.37 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 124.051 3.167 . . . . 0.38 113.619 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -54.0 -52.13 61.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.954 0.406 . . . . 3.5600000000000001 111.281 -178.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -64.83 -31.23 72.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.945 -0.57 . . . . 2.4300000000000002 111.364 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.24 -43.85 76.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.137 -0.483 . . . . 1.22 110.097 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.823 ' HG ' HD22 ' A' ' 5' ' ' LEU . 8.8 tt -58.49 -55.98 27.99 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.905 -0.589 . . . . 1.1200000000000001 110.666 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.11 -26.98 67.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.224 -0.444 . . . . 1.4299999999999999 111.555 -178.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.7 tp -64.11 -52.68 58.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.657 0.265 . . . . 1.6599999999999999 111.178 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.7 mt -67.54 -44.16 86.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.40999999999999998 110.628 -177.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -64.87 -32.25 73.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.411 -0.359 . . . . 1.6699999999999999 111.388 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.08 -35.46 91.51 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.522 -0.847 . . . . 0.54000000000000004 111.918 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.45 -30.43 61.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.103 0.478 . . . . 0.72999999999999998 110.764 177.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.402 HD21 ' CG1' ' A' ' 58' ' ' VAL . 94.4 mt -72.52 -42.25 65.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.837 -0.62 . . . . 0.87 110.869 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.054 0.454 . . . . 1.05 110.965 177.767 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.3 mt . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.899 -0.408 . . . . 0.88 109.899 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.689 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 2.3 tt -80.4 121.76 26.11 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.932 -1.136 . . . . 1.0 107.932 176.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -121.35 159.26 26.46 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.194 -0.298 . . . . 1.21 110.194 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.456 ' CG2' HD11 ' A' ' 31' ' ' LEU . 3.1 m -55.77 -33.53 64.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.973 -0.558 . . . . 1.3 111.649 -177.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.35 -60.91 3.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.823 -0.626 . . . . 2.1899999999999999 110.539 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -67.12 -29.47 69.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.192 -0.913 . . . . 1.1200000000000001 111.434 -178.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.21 -44.16 97.71 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.819 -0.437 . . . . 1.0800000000000001 109.819 176.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -56.29 -32.43 64.58 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.609 -0.723 . . . . 2.1699999999999999 111.097 176.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -77.48 -42.37 36.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 3.6600000000000001 111.555 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.73 -37.63 82.4 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.155 0.428 . . . . 0.48999999999999999 112.155 -173.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.406 ' HB3' ' OH ' ' A' ' 40' ' ' TYR . 4.5 mm? -63.36 -37.12 86.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.102 0.477 . . . . 0.79000000000000004 110.706 177.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.1 t -73.2 -39.65 56.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.004 0.431 . . . . 0.70999999999999996 110.036 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -61.38 -37.94 85.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.905 -0.589 . . . . 1.49 111.169 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.807 ' HB3' ' HG3' ' A' ' 51' ' ' ARG . 18.4 p -78.01 -39.88 40.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.577 0.227 . . . . 1.25 111.219 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.946 0.403 . . . . 1.6799999999999999 110.77 178.726 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 120.995 0.426 . . . . 1.6000000000000001 110.103 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.1 t -70.7 -26.81 63.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 2.0800000000000001 110.168 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -103.81 -162.84 25.0 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.885 -0.674 . . . . 1.8400000000000001 111.833 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -81.34 131.18 35.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.811 0.339 . . . . 2.77 110.327 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -117.42 -22.98 7.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.971 -0.559 . . . . 0.92000000000000004 111.045 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.7 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 3.8 mp -60.18 -30.11 69.13 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 112.299 0.481 . . . . 0.78000000000000003 112.299 -176.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -89.29 -19.6 25.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.178 0.513 . . . . 2.29 110.891 -174.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.5 mt -88.99 151.43 22.3 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.741 -0.663 . . . . 1.23 109.67 177.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.453 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 93.0 mtt180 -73.02 153.96 40.68 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.231 -0.293 . . . . 2.8799999999999999 110.291 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -55.55 -52.51 63.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.719 0.295 . . . . 0.58999999999999997 111.44 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.486 ' H ' ' CD ' ' A' ' 36' ' ' GLU . 1.2 mp0 -60.62 -22.44 63.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.3 0.572 . . . . 2.6000000000000001 110.651 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -82.79 -32.47 27.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.72 -0.673 . . . . 2.0299999999999998 109.82 -174.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.436 HG13 ' HD2' ' A' ' 40' ' ' TYR . 14.4 pt -91.86 14.66 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.302 -0.408 . . . . 0.67000000000000004 111.549 176.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.94 20.44 61.14 Favored Glycine 0 CA--C 1.516 0.137 0 C-N-CA 121.021 -0.609 . . . . 0.62 113.632 174.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.436 ' HD2' HG13 ' A' ' 38' ' ' ILE . 55.1 m-85 -108.52 103.57 12.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.192 0.52 . . . . 0.70999999999999996 110.604 176.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -88.57 -172.67 3.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.445 -0.798 . . . . 1.9299999999999999 110.55 -175.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.7 p -52.56 -55.3 23.19 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.378 0.671 . . . . 0.91000000000000003 112.161 -173.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' A' ' 46' ' ' MET . 59.9 tp -61.16 -46.3 91.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.833 -0.621 . . . . 1.3200000000000001 111.452 -176.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.43 -36.82 85.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.116 0.484 . . . . 0.46999999999999997 110.979 -178.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.3 tp -67.62 -46.64 71.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.875 -0.602 . . . . 0.75 111.103 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.496 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 5.2 ppp? -66.65 -34.52 78.05 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.119 -0.232 . . . . 1.26 111.176 -176.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.45 -35.23 79.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.942 0.401 . . . . 2.2000000000000002 110.718 175.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 53.1 m -63.22 -32.49 73.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.985 -0.552 . . . . 0.54000000000000004 111.045 178.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.48 -48.82 76.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.325 -0.398 . . . . 0.46000000000000002 110.507 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.81 -26.21 68.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.388 0.613 . . . . 0.48999999999999999 110.723 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.807 ' HG3' ' HB3' ' A' ' 17' ' ' SER . 3.9 mmp_? -72.3 -35.73 68.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.683 -0.689 . . . . 2.8599999999999999 110.974 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.552 HD22 HD11 ' A' ' 5' ' ' LEU . 77.8 mt -83.64 -47.95 10.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.584 -0.28 . . . . 0.56000000000000005 111.554 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.486 ' HA ' HG22 ' A' ' 58' ' ' VAL . 52.5 mt-10 -59.44 -55.51 33.77 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.292 -0.413 . . . . 0.51000000000000001 111.902 -174.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.5 m -66.14 -20.75 66.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.888 0.375 . . . . 1.4199999999999999 111.578 -177.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 51' ' ' ARG . 42.8 ttt180 -81.3 -47.56 13.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.117 -0.492 . . . . 2.4199999999999999 111.15 -175.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.689 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 99.1 m-85 -100.47 -9.33 22.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.169 -0.469 . . . . 1.0800000000000001 111.845 -175.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.42 50.86 7.82 Favored Glycine 0 N--CA 1.453 -0.175 0 C-N-CA 120.639 -0.791 . . . . 0.57999999999999996 112.141 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.486 HG22 ' HA ' ' A' ' 53' ' ' GLU . 34.2 m -121.67 -171.81 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.985 0.422 . . . . 0.45000000000000001 111.016 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.0 m -147.81 117.53 7.1 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.19 -0.67 . . . . 1.6200000000000001 109.19 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.1 mt -90.08 123.01 67.07 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.831 0.348 . . . . 0.59999999999999998 110.92 -176.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.425 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 48.1 Cg_exo -56.26 128.88 31.98 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.306 2.671 . . . . 0.81000000000000005 112.821 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -56.56 -53.04 62.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.485 -0.78 . . . . 1.99 112.375 -175.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -79.71 -29.96 40.86 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.865 -0.334 . . . . 2.4399999999999999 111.583 -171.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.425 ' HB ' ' HB2' ' A' ' 61' ' ' PRO . 45.4 t -72.71 -36.37 52.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.065 0.459 . . . . 1.1399999999999999 110.17 -179.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.8 -15.45 61.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.948 -0.569 . . . . 0.68000000000000005 111.918 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.4 -11.85 65.97 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.483 -0.865 . . . . 0.77000000000000002 112.28 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -97.88 -7.77 29.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.649 0.262 . . . . 3.6299999999999999 111.229 -176.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.4 m -90.16 106.65 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.732 0.777 . . . . 0.94999999999999996 110.689 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.453 ' O ' ' HA ' ' A' ' 34' ' ' ARG . 12.7 p-10 -91.61 -13.44 31.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.502 -0.772 . . . . 1.75 110.27 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.3 p -130.42 140.55 39.01 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.783 -0.644 . . . . 0.5 110.761 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.7 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 46.6 Cg_exo -57.38 -23.6 55.95 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 123.095 2.53 . . . . 0.38 112.222 176.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -51.44 -55.55 18.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.715 -0.675 . . . . 3.5600000000000001 110.645 178.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -66.87 -38.21 85.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.641 -0.709 . . . . 2.4300000000000002 111.545 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.27 -51.54 69.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.327 -0.397 . . . . 1.22 110.227 -177.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.449 ' CD1' HD22 ' A' ' 5' ' ' LEU . 46.8 tp -59.65 -47.27 86.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.369 -0.378 . . . . 1.1200000000000001 110.451 178.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -56.0 -41.51 74.99 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.798 -0.637 . . . . 1.4299999999999999 110.78 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.1 tp -61.81 -56.19 22.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.458 -0.792 . . . . 1.6599999999999999 111.31 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 65.9 mt -61.54 -41.48 90.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.425 . . . . 0.40999999999999998 111.006 -176.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.438 HD22 ' HA ' ' A' ' 79' ' ' ASN . 8.9 m120 -58.92 -48.82 80.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.363 -0.381 . . . . 1.6699999999999999 110.922 176.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.68 -34.4 89.53 Favored Glycine 0 C--N 1.329 0.152 0 C-N-CA 121.042 -0.599 . . . . 0.54000000000000004 112.491 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.36 -32.58 70.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.042 0.449 . . . . 0.72999999999999998 110.599 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.6 mt -79.73 -25.61 41.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.96 -0.564 . . . . 0.87 110.797 178.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.044 -0.526 . . . . 1.05 111.434 -179.869 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.773 0.32 . . . . 0.88 110.756 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.731 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -80.93 125.17 29.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 1.0 109.736 -177.379 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.5 p -107.34 167.76 9.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.97 0.415 . . . . 1.21 111.409 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.522 HG22 HD11 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -58.04 -56.43 22.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.821 -0.627 . . . . 1.3 112.53 178.716 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -63.02 -32.32 73.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.162 -0.472 . . . . 2.1899999999999999 111.537 -176.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -63.02 -48.15 79.98 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.153 -0.684 . . . . 1.1200000000000001 109.153 176.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.466 HD21 ' HB3' ' A' ' 71' ' ' PRO . 54.9 tp -60.09 -43.58 95.42 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.181 -0.918 . . . . 1.0800000000000001 110.306 177.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 11' ' ' ARG . 38.1 ttm180 -53.0 -40.82 64.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 2.1699999999999999 110.878 178.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -70.37 -33.38 71.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.447 -0.342 . . . . 3.6600000000000001 111.156 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.79 88.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.375 -0.375 . . . . 0.48999999999999999 110.979 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.549 ' HB3' ' OH ' ' A' ' 40' ' ' TYR . 3.6 mm? -65.02 -41.33 95.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.922 0.392 . . . . 0.79000000000000004 110.195 176.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 82.8 t -61.29 -47.56 92.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.092 -0.503 . . . . 0.70999999999999996 110.744 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.75 -17.81 61.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.453 -0.339 . . . . 1.49 111.628 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.8 m -84.1 -13.91 51.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 1.25 111.187 177.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.369 -0.378 . . . . 1.6799999999999999 110.705 179.719 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.2 tp . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.194 0.521 . . . . 1.6000000000000001 110.252 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.6 p -72.72 -21.67 61.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.678 -0.692 . . . . 2.0800000000000001 110.616 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -103.67 -101.77 2.68 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.872 -0.68 . . . . 1.8400000000000001 112.492 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -96.45 160.18 14.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.864 0.364 . . . . 2.77 110.622 -174.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -176.44 -32.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.414 -0.812 . . . . 0.92000000000000004 109.812 -175.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.582 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 29.0 mt -55.91 -49.03 74.58 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 113.755 1.02 . . . . 0.78000000000000003 113.755 -175.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -93.95 -0.11 55.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.299 0.571 . . . . 2.29 111.049 -170.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.7 mt -87.7 140.31 29.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.91 -0.586 . . . . 1.23 109.864 175.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.436 ' HB3' ' OE1' ' A' ' 36' ' ' GLU . 79.9 mtm180 -70.63 158.55 35.99 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.776 -0.453 . . . . 2.8799999999999999 109.776 178.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -57.15 -40.82 78.0 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.565 -0.288 . . . . 0.58999999999999997 111.539 -178.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.436 ' OE1' ' HB3' ' A' ' 34' ' ' ARG . 3.0 pm0 -64.64 -26.48 68.41 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.635 -0.257 . . . . 2.6000000000000001 111.608 175.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -82.07 -28.57 32.31 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 120.929 0.395 . . . . 2.0299999999999998 110.144 -175.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.49 HG13 ' HD1' ' A' ' 40' ' ' TYR . 21.2 pt -90.49 3.68 6.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.67000000000000004 111.028 176.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.31 49.45 20.41 Favored Glycine 0 C--N 1.332 0.324 0 CA-C-N 115.964 -0.562 . . . . 0.62 114.097 173.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.549 ' OH ' ' HB3' ' A' ' 14' ' ' LEU . 37.7 m-85 -118.9 122.98 43.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.421 0.61 . . . . 0.70999999999999996 111.509 177.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -71.67 166.61 21.56 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.288 -0.869 . . . . 1.9299999999999999 111.347 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.4 p -53.9 -51.27 64.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.848 -0.615 . . . . 0.91000000000000003 110.896 175.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.509 ' O ' ' HG3' ' A' ' 46' ' ' MET . 33.6 tp -59.63 -40.16 86.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.41 -0.814 . . . . 1.3200000000000001 111.428 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.33 -41.68 89.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.144 0.497 . . . . 0.46999999999999997 110.59 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.4 tp -63.79 -39.03 93.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.509 -0.769 . . . . 0.75 111.968 -175.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.509 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 5.1 ppp? -69.16 -32.22 71.4 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.784 -0.367 . . . . 1.26 110.718 -179.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.59 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 30.0 mm-40 -67.07 -38.85 86.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.608 -0.269 . . . . 2.2000000000000002 110.619 173.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.2 m -57.63 -41.0 80.47 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.163 -0.471 . . . . 0.54000000000000004 110.81 177.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.489 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -57.22 -49.15 76.9 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.049 -0.523 . . . . 0.46000000000000002 110.414 176.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.69 -33.21 73.59 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.557 -0.747 . . . . 0.48999999999999999 111.0 -177.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.59 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 4.8 mmp_? -57.71 -45.25 85.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.473 -0.785 . . . . 2.8599999999999999 110.552 178.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.479 HD22 HD11 ' A' ' 5' ' ' LEU . 70.9 mt -75.09 -45.76 39.15 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.946 -0.57 . . . . 0.56000000000000005 111.059 -176.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 46.8 mt-10 -56.46 -49.49 74.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.885 -0.598 . . . . 0.51000000000000001 110.948 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.2 t -63.74 -35.98 82.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.954 -0.566 . . . . 1.4199999999999999 111.508 -176.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -76.68 -50.04 14.66 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.864 0.32 . . . . 2.4199999999999999 111.864 -174.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.731 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 89.8 m-85 -93.08 -1.8 56.16 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.249 0.462 . . . . 1.0800000000000001 112.249 -172.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.48 34.62 79.73 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.257 -0.973 . . . . 0.57999999999999996 111.531 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.8 m -111.74 -169.17 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.61 -0.295 . . . . 0.45000000000000001 110.523 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 t -157.66 138.04 12.78 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.718 -0.845 . . . . 1.6200000000000001 108.718 174.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.8 mt -95.45 112.44 58.84 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 116.192 -0.458 . . . . 0.59999999999999998 110.16 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -61.05 117.74 4.55 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.155 1.903 . . . . 0.81000000000000005 111.493 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -66.97 -6.85 18.45 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.471 0.545 . . . . 1.99 112.471 -175.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -78.02 -56.73 4.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.178 0.513 . . . . 2.4399999999999999 110.364 174.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.4 t -78.83 -12.68 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.998 -0.546 . . . . 1.1399999999999999 110.962 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.495 ' O ' HG12 ' A' ' 68' ' ' VAL . . . -62.12 -38.72 90.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.68000000000000005 111.792 -178.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.03 38.08 2.71 Favored Glycine 0 C--N 1.321 -0.258 0 C-N-CA 120.72 -0.753 . . . . 0.77000000000000002 112.153 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -144.77 31.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.896 0.379 . . . . 3.6299999999999999 110.309 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 65' ' ' ALA . 7.3 p -132.87 126.08 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.178 -0.465 . . . . 0.94999999999999996 110.263 -178.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -94.08 -43.17 8.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.178 -0.464 . . . . 1.75 111.437 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.558 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 77.0 p -125.98 149.58 66.65 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.953 0.406 . . . . 0.5 112.007 -172.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.582 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 72.1 Cg_exo -47.22 -38.87 26.3 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.763 2.975 . . . . 0.38 112.931 173.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.475 ' HG2' HD13 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -56.09 -41.37 75.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 3.5600000000000001 110.966 -179.692 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.45 ' HB2' HG23 ' A' ' 68' ' ' VAL . 34.2 mt-10 -68.29 -50.37 54.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.973 -0.558 . . . . 2.4300000000000002 110.285 175.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.29 -46.63 65.99 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.173 -0.921 . . . . 1.22 111.137 -178.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.7 tp -54.83 -54.81 37.51 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.228 -0.896 . . . . 1.1200000000000001 110.983 -177.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -64.32 -37.42 87.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.958 -0.565 . . . . 1.4299999999999999 111.06 -176.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.7 tp -63.25 -47.31 82.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.005 -0.543 . . . . 1.6599999999999999 111.147 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 70.6 mt -65.04 -37.82 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 0.40999999999999998 110.683 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.8 -42.04 96.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 1.6699999999999999 110.541 178.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.96 -40.66 99.17 Favored Glycine 0 C--N 1.331 0.269 0 CA-C-N 116.109 -0.496 . . . . 0.54000000000000004 112.468 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.49 68.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.16 0.505 . . . . 0.72999999999999998 111.197 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.75 -29.41 45.16 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.726 -0.67 . . . . 0.87 110.671 -177.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.301 -0.408 . . . . 1.05 112.006 -177.3 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.4 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.58 0.229 . . . . 0.88 110.799 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.557 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 1.8 tt -84.95 122.27 28.96 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.188 -1.041 . . . . 1.0 108.188 174.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.43 165.45 11.39 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.36 0.504 . . . . 1.21 112.36 -174.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.474 HG22 HD11 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -57.7 -57.65 11.81 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.599 0.592 . . . . 1.3 112.599 -178.46 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -62.11 -39.94 94.23 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.076 0.465 . . . . 2.1899999999999999 110.702 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.468 ' HB3' ' OH ' ' A' ' 56' ' ' TYR . 5.1 m-20 -67.99 -27.92 66.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.825 -0.625 . . . . 1.1200000000000001 111.186 178.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.4 tp -70.43 -41.76 72.46 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.353 -0.61 . . . . 1.0800000000000001 109.353 173.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.805 ' HG3' ' HG ' ' A' ' 26' ' ' LEU . 39.2 ttp180 -55.46 -43.92 75.93 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 109.385 -0.598 . . . . 2.1699999999999999 109.385 173.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.529 ' HB3' ' OE2' ' A' ' 16' ' ' GLU . 53.6 mtp180 -57.69 -39.57 77.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.154 -0.93 . . . . 3.6600000000000001 111.479 175.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.72 -41.63 91.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.957 -0.565 . . . . 0.48999999999999999 111.728 -173.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.6 mm? -62.74 -48.59 78.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.771 0.319 . . . . 0.79000000000000004 110.532 178.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 52.1 t -63.37 -51.05 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.688 -0.687 . . . . 0.70999999999999996 110.699 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.529 ' OE2' ' HB3' ' A' ' 12' ' ' ARG . 53.1 mt-10 -64.61 -19.19 65.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.961 -0.563 . . . . 1.49 112.443 -176.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.426 ' OG ' ' HA ' ' A' ' 48' ' ' THR . 49.6 m -90.17 -63.0 1.34 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.179 0.437 . . . . 1.25 112.179 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.705 0.288 . . . . 1.6799999999999999 111.553 -174.374 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.805 ' HG ' ' HG3' ' A' ' 11' ' ' ARG . 38.2 tp . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.997 0.427 . . . . 1.6000000000000001 110.069 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.5 m -87.87 -9.27 54.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.905 -0.589 . . . . 2.0800000000000001 111.121 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.94 -136.39 8.46 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.938 -0.648 . . . . 1.8400000000000001 111.974 178.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -81.04 59.5 3.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.765 0.317 . . . . 2.77 110.835 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -65.96 -29.94 70.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.233 0.539 . . . . 0.92000000000000004 109.971 -178.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.647 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 92.1 mt -57.49 -23.84 52.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.505 -0.77 . . . . 0.78000000000000003 111.728 176.189 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -94.85 -22.85 17.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 2.29 111.053 -172.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -90.53 150.96 21.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.259 -0.428 . . . . 1.23 110.453 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.554 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . 32.0 mtt180 -72.42 156.41 39.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.946 0.403 . . . . 2.8799999999999999 111.345 177.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -55.53 -43.05 75.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.025 -0.534 . . . . 0.58999999999999997 110.623 173.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.419 ' HG2' ' HB3' ' A' ' 34' ' ' ARG . 13.2 pt-20 -61.18 -28.79 69.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.858 -0.61 . . . . 2.6000000000000001 111.557 176.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.554 ' OD2' ' HB2' ' A' ' 34' ' ' ARG . 59.7 m-20 -80.49 -29.68 37.38 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 110.332 -0.247 . . . . 2.0299999999999998 110.332 -175.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.437 HG13 ' HD1' ' A' ' 40' ' ' TYR . 22.0 pt -89.11 5.73 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.839 0.352 . . . . 0.67000000000000004 110.927 176.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.08 34.52 12.59 Favored Glycine 0 CA--C 1.519 0.316 0 CA-C-N 115.913 -0.585 . . . . 0.62 114.473 172.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.437 ' HD1' HG13 ' A' ' 38' ' ' ILE . 50.3 m-85 -118.27 121.93 41.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 117.332 0.566 . . . . 0.70999999999999996 110.738 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -93.18 -174.57 3.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.396 -0.82 . . . . 1.9299999999999999 110.778 -176.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.1 p -56.26 -47.38 78.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.989 -0.551 . . . . 0.91000000000000003 111.544 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.5 tp -64.7 -51.05 64.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.15 -0.477 . . . . 1.3200000000000001 110.626 -176.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.29 80.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.845 0.355 . . . . 0.46999999999999997 110.566 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.0 tp -65.64 -45.81 81.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.101 -0.5 . . . . 0.75 110.975 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.8 ptm -68.89 -34.94 76.24 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.994 -0.283 . . . . 1.26 111.056 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.14 -36.46 83.18 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.867 0.365 . . . . 2.2000000000000002 110.514 175.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.426 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 50.3 m -63.01 -40.05 96.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.54000000000000004 110.562 175.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -56.55 -49.67 74.13 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.07 -0.514 . . . . 0.46000000000000002 111.063 176.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.12 -27.25 65.42 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.766 -0.652 . . . . 0.48999999999999999 111.516 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -76.18 -29.66 57.76 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.951 -0.568 . . . . 2.8599999999999999 110.2 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.8 mt -82.24 -39.41 23.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.085 -0.507 . . . . 0.56000000000000005 111.116 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 51.3 mt-10 -55.9 -57.89 10.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.758 -0.655 . . . . 0.51000000000000001 111.692 -176.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.2 p -68.88 -27.15 65.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.184 -0.462 . . . . 1.4199999999999999 111.97 -177.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -77.75 -44.0 29.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.192 -0.458 . . . . 2.4199999999999999 111.213 -174.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.557 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 90.1 m-85 -105.85 -2.09 23.48 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.815 0.302 . . . . 1.0800000000000001 111.815 -174.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.16 52.33 6.29 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.762 -0.732 . . . . 0.57999999999999996 113.055 176.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.472 HG23 ' HA ' ' A' ' 53' ' ' GLU . 2.5 m -132.88 -176.26 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.133 0.492 . . . . 0.45000000000000001 111.398 177.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.8 t -145.13 116.61 8.05 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.983 -1.117 . . . . 1.6200000000000001 107.983 177.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.484 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 91.4 mt -97.79 111.16 58.23 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-O 121.041 0.448 . . . . 0.59999999999999998 110.987 -172.189 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 5.7 Cg_exo -75.89 149.62 33.42 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.579 2.853 . . . . 0.81000000000000005 113.154 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.12 -51.47 69.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.382 -0.827 . . . . 1.99 111.858 -175.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -72.58 -29.63 63.69 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.906 -0.588 . . . . 2.4399999999999999 110.988 -171.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.737 HG12 HD21 ' A' ' 77' ' ' LEU . 43.8 t -78.35 -40.62 25.27 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 116.178 -0.464 . . . . 1.1399999999999999 110.311 178.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.75 -45.85 81.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.995 -0.548 . . . . 0.68000000000000005 111.624 -176.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.91 37.18 1.47 Allowed Glycine 0 CA--C 1.52 0.357 0 CA-C-N 115.811 -0.631 . . . . 0.77000000000000002 113.159 -175.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -133.39 6.47 3.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.964 0.411 . . . . 3.6299999999999999 110.577 177.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.506 HG21 HD23 ' A' ' 74' ' ' LEU . 34.6 m -93.53 -180.0 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.94999999999999996 109.823 174.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -145.05 -55.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.026 0.441 . . . . 1.75 109.966 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.9 p -108.43 159.47 30.66 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.942 -0.572 . . . . 0.5 110.854 177.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.647 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 87.9 Cg_exo -51.48 -33.28 46.62 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.237 2.625 . . . . 0.38 112.562 175.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -52.29 -53.62 41.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.946 -0.57 . . . . 3.5600000000000001 110.646 176.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -64.31 -44.0 92.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.328 -0.851 . . . . 2.4300000000000002 110.417 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.506 HD23 HG21 ' A' ' 68' ' ' VAL . 2.7 tm? -60.59 -47.2 87.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.543 -0.753 . . . . 1.22 110.709 -178.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 41.5 tp -58.06 -51.87 67.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.256 -0.429 . . . . 1.1200000000000001 110.952 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -64.92 -33.78 76.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.972 -0.558 . . . . 1.4299999999999999 111.424 -176.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.737 HD21 HG12 ' A' ' 64' ' ' VAL . 54.0 tp -61.37 -42.94 99.51 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.089 0.471 . . . . 1.6599999999999999 110.414 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 60.6 mt -79.48 -35.03 16.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.816 -0.629 . . . . 0.40999999999999998 110.433 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.408 HD22 ' HA ' ' A' ' 79' ' ' ASN . 9.1 m120 -57.87 -44.07 86.42 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.472 -0.331 . . . . 1.6699999999999999 110.522 175.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -54.82 -39.47 67.99 Favored Glycine 0 C--N 1.334 0.425 0 CA-C-N 115.998 -0.546 . . . . 0.54000000000000004 113.266 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.72 -42.52 58.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.257 0.551 . . . . 0.72999999999999998 111.14 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 34.1 mt -68.49 -27.88 66.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.92 -0.582 . . . . 0.87 111.048 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.216 -0.447 . . . . 1.05 112.065 179.429 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.95 0.405 . . . . 0.88 111.18 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.6 tp -84.17 127.65 34.06 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.189 -0.671 . . . . 1.0 109.189 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.1 p -110.28 176.47 5.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.872 0.368 . . . . 1.21 111.557 -176.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.494 HG23 HD11 ' A' ' 31' ' ' LEU . 17.7 m -58.13 -53.23 60.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.409 -0.814 . . . . 1.3 110.784 174.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.574 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 37.9 t70 -69.64 -37.97 76.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.021 -0.536 . . . . 2.1899999999999999 111.38 -174.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -62.81 -37.73 87.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.784 0.326 . . . . 1.1200000000000001 110.338 177.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.5 tp -63.02 -46.19 88.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.097 -0.501 . . . . 1.0800000000000001 109.675 173.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.41 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 40.4 ttm180 -54.28 -29.14 46.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.483 -0.78 . . . . 2.1699999999999999 111.647 177.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' A' ' 8' ' ' ASP . 2.9 mmp_? -80.0 -33.99 38.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.477 -0.329 . . . . 3.6600000000000001 111.19 -178.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.56 -38.0 85.88 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.952 0.353 . . . . 0.48999999999999999 111.952 -174.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.618 HD13 HG21 ' A' ' 48' ' ' THR . 3.6 mm? -62.92 -34.17 76.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.328 -0.396 . . . . 0.79000000000000004 110.597 179.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.3 t -80.74 -37.19 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.334 -0.394 . . . . 0.70999999999999996 110.425 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 46.5 mt-10 -60.1 -36.03 76.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.017 -0.538 . . . . 1.49 110.995 177.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.654 ' OG ' ' HA ' ' A' ' 48' ' ' THR . 8.5 m -86.24 -56.99 3.19 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.582 -0.735 . . . . 1.25 111.756 -177.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.424 0 CA-C-O 120.667 0.27 . . . . 1.6799999999999999 111.517 -175.281 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.8 mt . . . . . 0 C--O 1.234 0.237 0 CA-C-O 121.001 0.429 . . . . 1.6000000000000001 110.152 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 35.4 p -100.6 -26.59 13.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.144 -0.48 . . . . 2.0800000000000001 110.58 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.96 -164.28 29.29 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.871 -0.68 . . . . 1.8400000000000001 112.475 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -80.85 79.03 7.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.306 0.574 . . . . 2.77 111.221 -178.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -80.32 -32.93 37.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.898 -0.592 . . . . 0.92000000000000004 111.668 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.562 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 83.1 mt -55.17 -32.88 62.51 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.202 -0.454 . . . . 0.78000000000000003 111.472 178.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -95.51 18.65 12.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.597 -0.729 . . . . 2.29 110.915 -169.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.419 ' O ' ' HD2' ' A' ' 71' ' ' PRO . 97.2 mt -140.95 159.82 41.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.534 -0.913 . . . . 1.23 108.534 178.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 94.2 mtt180 -73.15 160.27 32.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.709 0.29 . . . . 2.8799999999999999 110.371 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -56.34 -40.05 73.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.14 0.495 . . . . 0.58999999999999997 110.243 172.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -64.17 -22.52 66.97 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.9 -0.591 . . . . 2.6000000000000001 111.675 177.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -81.62 -32.39 31.99 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.787 0.327 . . . . 2.0299999999999998 110.268 -177.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.489 HG13 ' HD2' ' A' ' 40' ' ' TYR . 14.9 pt -91.75 7.53 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.27 -0.423 . . . . 0.67000000000000004 111.564 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.53 49.62 6.57 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.921 -0.581 . . . . 0.62 114.039 172.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.524 ' CE1' HD12 ' A' ' 14' ' ' LEU . 40.7 m-85 -123.93 112.88 17.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.221 0.534 . . . . 0.70999999999999996 111.573 176.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.8 161.16 31.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.893 -1.048 . . . . 1.9299999999999999 110.979 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -47.43 68.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.806 -0.633 . . . . 0.91000000000000003 112.313 -179.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.584 ' O ' ' HG3' ' A' ' 46' ' ' MET . 57.7 tp -56.25 -53.98 50.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.511 -0.313 . . . . 1.3200000000000001 111.053 -178.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.03 -34.03 77.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.044 0.45 . . . . 0.46999999999999997 110.746 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.1 tp -65.48 -45.63 82.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.841 -0.618 . . . . 0.75 111.144 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.584 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 5.1 ppp? -70.61 -32.97 70.52 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.143 -0.223 . . . . 1.26 110.848 -177.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -64.13 -39.36 93.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.122 0.487 . . . . 2.2000000000000002 110.098 174.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.654 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 55.7 m -64.8 -37.16 86.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.677 -0.692 . . . . 0.54000000000000004 111.051 178.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.14 -39.16 74.64 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.229 -0.441 . . . . 0.46000000000000002 111.735 -178.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.22 -29.9 69.04 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.031 -0.531 . . . . 0.48999999999999999 110.585 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.535 ' HB2' ' O ' ' A' ' 48' ' ' THR . 25.3 mmt180 -61.71 -60.87 3.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.614 -0.721 . . . . 2.8599999999999999 110.701 177.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.45 -44.03 96.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.892 -0.594 . . . . 0.56000000000000005 111.156 -176.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.547 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 45.6 mt-10 -59.08 -57.5 12.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.51000000000000001 111.419 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.4 m -67.02 -31.87 72.7 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.812 0.301 . . . . 1.4199999999999999 111.812 -176.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -74.69 -45.95 41.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.466 -0.334 . . . . 2.4199999999999999 111.449 -175.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -100.0 -2.16 35.21 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.01 0.374 . . . . 1.0800000000000001 112.01 -175.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.98 39.65 37.47 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.739 -0.743 . . . . 0.57999999999999996 112.708 176.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.547 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 33.8 m -114.18 177.08 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.717 0.294 . . . . 0.45000000000000001 110.743 -179.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.413 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 50.3 m -141.51 118.03 10.91 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.024 -0.534 . . . . 1.6200000000000001 109.82 177.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.1 mt -94.78 108.63 38.87 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 109.565 -0.531 . . . . 0.59999999999999998 109.565 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 59' ' ' SER . 24.3 Cg_exo -62.99 139.84 75.8 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.6 2.2 . . . . 0.81000000000000005 111.802 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -61.36 -13.42 19.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.966 -0.561 . . . . 1.99 111.319 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -76.29 -60.59 2.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.099 -0.501 . . . . 2.4399999999999999 110.745 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.5 p -74.41 -15.76 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.25 0.548 . . . . 1.1399999999999999 111.233 -177.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.69 -30.29 70.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.912 -0.585 . . . . 0.68000000000000005 110.979 177.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.31 30.41 8.72 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.734 -0.746 . . . . 0.77000000000000002 112.01 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -130.93 -17.22 3.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.847 0.356 . . . . 3.6299999999999999 110.946 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.749 HG21 HD23 ' A' ' 74' ' ' LEU . 16.8 m -91.62 109.15 20.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.424 0.631 . . . . 0.94999999999999996 111.472 -176.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.402 ' O ' ' HA ' ' A' ' 34' ' ' ARG . 10.7 p-10 -92.89 -43.04 9.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 1.75 111.051 -178.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.535 ' OG1' ' HG2' ' A' ' 73' ' ' GLU . 75.5 p -102.33 146.85 33.08 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.749 0.309 . . . . 0.5 111.058 179.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.562 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 82.0 Cg_exo -51.37 -34.39 50.12 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.864 2.376 . . . . 0.38 111.548 170.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -54.34 -48.57 71.26 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.262 -0.426 . . . . 3.5600000000000001 110.702 174.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.535 ' HG2' ' OG1' ' A' ' 70' ' ' THR . 20.6 mm-40 -63.47 -44.92 93.02 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.217 0.532 . . . . 2.4300000000000002 110.164 179.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.749 HD23 HG21 ' A' ' 68' ' ' VAL . 2.3 tm? -61.48 -50.91 70.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.218 -0.901 . . . . 1.22 110.694 -177.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.3 tp -58.71 -48.83 79.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.858 -0.61 . . . . 1.1200000000000001 110.721 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -56.52 -42.01 77.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 1.4299999999999999 111.279 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.0 tp -61.37 -56.52 19.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.839 -0.619 . . . . 1.6599999999999999 111.183 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.9 mt -66.89 -44.29 88.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.058 -0.519 . . . . 0.40999999999999998 111.127 -176.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -61.03 -42.59 98.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.422 . . . . 1.6699999999999999 110.344 -177.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.82 -30.49 76.25 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 121.048 -0.596 . . . . 0.54000000000000004 112.653 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.87 -32.21 65.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.931 0.396 . . . . 0.72999999999999998 110.686 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.06 -23.14 63.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.095 -0.502 . . . . 0.87 111.022 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 1.05 111.239 179.262 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.516 0.198 . . . . 0.88 111.192 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.643 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 1.4 tt -79.96 128.45 33.48 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.943 -0.762 . . . . 1.0 108.943 -177.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 54.9 p -101.95 154.5 18.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.714 0.292 . . . . 1.21 110.602 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.7 m -57.97 -37.87 75.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.982 -0.554 . . . . 1.3 110.943 176.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -70.32 -40.18 74.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.292 -0.413 . . . . 2.1899999999999999 110.689 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.03 -41.73 97.12 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.1 0.476 . . . . 1.1200000000000001 110.387 174.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.426 HD12 HD13 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -58.73 -50.63 73.19 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.409 -0.814 . . . . 1.0800000000000001 109.743 177.092 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -55.49 -40.7 72.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.938 -0.574 . . . . 2.1699999999999999 111.236 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -62.54 -49.37 75.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.58 -0.282 . . . . 3.6600000000000001 110.947 176.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.67 -39.04 89.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.207 -0.451 . . . . 0.48999999999999999 111.959 -173.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.469 HD12 ' CZ ' ' A' ' 40' ' ' TYR . 3.8 mm? -60.26 -42.96 96.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.079 0.466 . . . . 0.79000000000000004 110.602 177.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.1 t -67.81 -51.64 48.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.869 -0.605 . . . . 0.70999999999999996 110.756 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -59.08 -30.15 67.87 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.903 -0.59 . . . . 1.49 111.794 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.504 ' HB2' ' HG3' ' A' ' 51' ' ' ARG . 9.9 t -84.75 -32.85 23.22 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.831 0.308 . . . . 1.25 111.831 -177.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HB2' ' HE1' ' A' ' 40' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.3 0 N-CA-C 112.362 0.504 . . . . 1.6799999999999999 112.362 -174.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 121.112 0.482 . . . . 1.6000000000000001 109.732 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.5 m -77.06 -4.78 46.01 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.695 -0.684 . . . . 2.0800000000000001 111.328 -176.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.38 -83.65 1.6 Allowed Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.135 -0.786 . . . . 1.8400000000000001 111.135 175.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -134.39 -177.58 4.66 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.21 -0.663 . . . . 2.77 109.21 174.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -167.94 -32.58 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.71 -0.223 . . . . 0.92000000000000004 110.791 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.834 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 95.2 mt -52.17 -35.95 50.28 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.81 0.67 . . . . 0.78000000000000003 112.81 -177.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -94.58 -13.82 25.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.817 0.341 . . . . 2.29 111.41 -173.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 98.0 mt -88.35 149.0 23.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.406 -0.361 . . . . 1.23 110.757 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.554 ' O ' HG12 ' A' ' 38' ' ' ILE . 42.2 mtp180 -74.43 143.62 44.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.673 -0.239 . . . . 2.8799999999999999 110.718 -177.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -54.39 -54.36 41.6 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.947 0.404 . . . . 0.58999999999999997 112.059 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.436 ' H ' ' HG3' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -63.62 -21.91 66.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.202 -0.453 . . . . 2.6000000000000001 112.09 -179.64 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -85.51 -27.03 25.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.927 0.394 . . . . 2.0299999999999998 110.935 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.558 HG13 ' HD2' ' A' ' 40' ' ' TYR . 19.2 pt -93.01 22.11 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.017 0.437 . . . . 0.67000000000000004 111.732 177.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.82 43.87 16.6 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.888 -0.596 . . . . 0.62 113.679 171.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.558 ' HD2' HG13 ' A' ' 38' ' ' ILE . 68.1 m-85 -126.82 114.04 17.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.1 0.476 . . . . 0.70999999999999996 110.686 175.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -71.89 163.85 27.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.534 -0.757 . . . . 1.9299999999999999 110.284 176.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.4 p -52.66 -45.37 66.7 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.991 -0.55 . . . . 0.91000000000000003 111.654 177.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.32 -43.79 98.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 1.3200000000000001 110.686 178.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.87 -32.69 74.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.22 0.533 . . . . 0.46999999999999997 110.957 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.1 tp -69.97 -43.45 71.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.648 -0.705 . . . . 0.75 111.297 -178.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.6 ptm -66.59 -29.47 69.53 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.975 0.417 . . . . 1.26 109.951 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -64.97 -41.51 95.38 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.936 -0.575 . . . . 2.2000000000000002 110.7 174.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.493 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 23.2 m -64.46 -38.44 91.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.998 -0.546 . . . . 0.54000000000000004 110.607 179.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.9 -44.02 86.53 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.186 -0.461 . . . . 0.46000000000000002 110.91 176.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.93 75.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.871 -0.604 . . . . 0.48999999999999999 110.418 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.504 ' HG3' ' HB2' ' A' ' 17' ' ' SER . 14.6 mmt180 -59.31 -42.77 92.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.46 -0.791 . . . . 2.8599999999999999 110.878 177.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.58 HD22 HD11 ' A' ' 5' ' ' LEU . 91.5 mt -72.16 -47.78 48.32 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.819 -0.628 . . . . 0.56000000000000005 111.074 -177.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -61.59 -42.33 98.71 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.275 -0.421 . . . . 0.51000000000000001 111.561 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.9 m -67.21 -25.77 66.28 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.236 0.458 . . . . 1.4199999999999999 112.236 -177.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -85.13 -46.09 11.44 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.966 -0.294 . . . . 2.4199999999999999 111.405 -177.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.643 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 97.8 m-85 -95.6 -19.55 19.67 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.054 0.39 . . . . 1.0800000000000001 112.054 -175.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.38 38.52 45.15 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.65 -0.786 . . . . 0.57999999999999996 111.871 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.6 HG12 HD21 ' A' ' 82' ' ' LEU . 28.5 m -97.68 -176.43 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.89 0.376 . . . . 0.45000000000000001 111.208 -175.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.3 p -132.01 107.09 8.44 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.859 -0.609 . . . . 1.6200000000000001 110.279 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.2 mt -90.67 110.91 44.75 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.068 -0.514 . . . . 0.59999999999999998 109.954 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.89 119.33 6.33 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.728 2.285 . . . . 0.81000000000000005 111.398 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -65.26 -4.46 5.32 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.265 -0.425 . . . . 1.99 111.893 -175.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -73.1 -68.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.204 0.526 . . . . 2.4399999999999999 110.13 177.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 20.0 t -76.1 -17.04 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.605 -0.725 . . . . 1.1399999999999999 110.979 -177.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.499 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -61.74 -33.21 73.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.68000000000000005 111.247 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -82.98 28.78 3.55 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.621 -0.799 . . . . 0.77000000000000002 112.626 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -137.4 4.03 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.679 0.239 . . . . 3.6299999999999999 111.226 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.608 HG21 HD23 ' A' ' 74' ' ' LEU . 16.5 m -94.77 110.61 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.47 0.652 . . . . 0.94999999999999996 110.759 178.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -90.84 -38.16 13.13 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.681 -0.69 . . . . 1.75 111.314 -174.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.9 p -115.41 150.62 44.86 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.08 -0.509 . . . . 0.5 110.885 -179.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.834 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 77.0 Cg_exo -54.66 -26.68 47.63 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.202 2.602 . . . . 0.38 112.727 175.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -54.44 -56.02 22.9 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.159 0.504 . . . . 3.5600000000000001 110.178 174.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -62.91 -41.31 99.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.321 -0.854 . . . . 2.4300000000000002 110.399 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.608 HD23 HG21 ' A' ' 68' ' ' VAL . 2.5 tm? -55.89 -53.97 50.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.875 -0.602 . . . . 1.22 110.439 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.426 HD13 HD12 ' A' ' 10' ' ' LEU . 58.7 tp -59.69 -52.51 65.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.917 -0.583 . . . . 1.1200000000000001 111.206 179.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.67 -35.71 78.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.965 -0.561 . . . . 1.4299999999999999 111.434 -175.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.43 -50.32 73.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.986 0.422 . . . . 1.6599999999999999 110.047 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 79.2 mt -70.28 -37.0 69.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.158 -0.474 . . . . 0.40999999999999998 110.653 -178.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -61.37 -43.46 98.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.601 -0.272 . . . . 1.6699999999999999 110.776 175.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.73 -36.77 93.21 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.372 -0.442 . . . . 0.54000000000000004 112.644 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.41 -45.24 66.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.069 0.461 . . . . 0.72999999999999998 110.917 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.6 HD21 HG12 ' A' ' 58' ' ' VAL . 77.5 mt -70.55 -32.23 69.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.95 -0.568 . . . . 0.87 111.504 -178.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.305 -0.407 . . . . 1.05 111.808 -176.798 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 63.4 mt . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 109.637 -0.505 . . . . 0.88 109.637 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.614 HD11 HD22 ' A' ' 52' ' ' LEU . 1.6 tt -80.73 123.5 28.25 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.371 -0.974 . . . . 1.0 108.371 178.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.449 ' H ' ' HB2' ' A' ' 9' ' ' ASP . 47.7 p -122.78 -178.21 3.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 1.21 111.756 -176.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.9 m -58.06 -55.93 28.59 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.714 -0.675 . . . . 1.3 111.216 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.447 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 36.0 t70 -61.97 -35.63 79.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.828 -0.624 . . . . 2.1899999999999999 110.858 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.449 ' HB2' ' H ' ' A' ' 6' ' ' THR . 22.0 m-20 -65.3 -45.24 85.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.313 -0.403 . . . . 1.1200000000000001 110.89 177.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.419 HD21 ' HB3' ' A' ' 71' ' ' PRO . 43.1 tp -62.28 -36.8 83.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.111 0.482 . . . . 1.0800000000000001 109.874 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.447 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 40.3 ttm180 -54.21 -25.94 25.72 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.327 -0.851 . . . . 2.1699999999999999 111.674 177.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.891 ' HE ' ' HA ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -80.82 -44.67 18.11 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.715 0.265 . . . . 3.6600000000000001 111.715 -179.045 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.26 86.83 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 112.369 0.507 . . . . 0.48999999999999999 112.369 -171.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.532 HD13 HG21 ' A' ' 48' ' ' THR . 4.0 mm? -64.21 -32.63 74.28 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.389 0.614 . . . . 0.79000000000000004 110.646 178.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 90.4 t -79.22 -37.33 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.818 -0.628 . . . . 0.70999999999999996 110.724 -178.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 52.5 mt-10 -57.1 -46.82 82.28 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.056 0.455 . . . . 1.49 111.303 178.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 p -87.19 -42.38 13.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.452 -0.795 . . . . 1.25 112.84 -171.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB3' ' HE1' ' A' ' 40' ' ' TYR . . . . . . . . 0 C--N 1.328 -0.329 0 N-CA-C 113.366 0.876 . . . . 1.6799999999999999 113.366 -169.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.2 tp . . . . . 0 CA--C 1.534 0.329 0 CA-C-O 121.138 0.494 . . . . 1.6000000000000001 111.201 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.7 m -86.95 81.18 8.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.11 0.481 . . . . 2.0800000000000001 110.852 -175.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -172.52 -157.76 15.13 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.542 -0.623 . . . . 1.8400000000000001 111.542 178.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -81.54 81.63 7.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.924 0.869 . . . . 2.77 110.366 178.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -79.98 -17.37 53.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.192 -0.913 . . . . 0.92000000000000004 111.997 -174.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.548 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 52.7 mt -54.21 -41.26 68.43 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.565 0.58 . . . . 0.78000000000000003 112.565 -175.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -98.5 4.07 48.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.011 0.434 . . . . 2.29 111.284 -176.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.9 mt -92.79 137.1 32.66 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.275 -0.639 . . . . 1.23 109.275 173.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -71.7 152.24 42.96 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.644 -0.422 . . . . 2.8799999999999999 110.664 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -55.86 -34.9 65.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.326 0.584 . . . . 0.58999999999999997 109.563 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -58.05 -31.97 67.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 114.899 -1.046 . . . . 2.6000000000000001 111.611 175.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -83.62 -39.33 20.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.922 0.391 . . . . 2.0299999999999998 110.656 -174.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.475 HG13 ' HD2' ' A' ' 40' ' ' TYR . 17.1 pt -89.0 14.9 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.0 -0.545 . . . . 0.67000000000000004 112.193 -175.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.03 31.17 66.94 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 121.378 -0.439 . . . . 0.62 113.796 174.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.475 ' HD2' HG13 ' A' ' 38' ' ' ILE . 51.7 m-85 -113.41 106.95 15.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.142 0.496 . . . . 0.70999999999999996 110.411 177.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -86.7 179.63 6.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.575 -0.738 . . . . 1.9299999999999999 111.594 -177.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.6 p -50.28 -57.85 6.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.919 -1.037 . . . . 0.91000000000000003 112.71 -177.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.2 tp -58.71 -47.82 83.23 Favored 'General case' 0 C--N 1.334 -0.07 0 CA-C-N 116.412 -0.358 . . . . 1.3200000000000001 111.217 -176.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.46 -39.53 93.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.046 0.451 . . . . 0.46999999999999997 110.778 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.1 tp -64.88 -42.27 94.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.821 -0.627 . . . . 0.75 111.398 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.7 ptm -69.39 -30.18 68.09 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.25 -0.58 . . . . 1.26 110.792 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.9 -43.64 82.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.851 0.358 . . . . 2.2000000000000002 110.082 174.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.532 HG21 HD13 ' A' ' 14' ' ' LEU . 53.9 m -63.32 -37.83 88.78 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.238 -0.437 . . . . 0.54000000000000004 110.814 175.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.72 -39.92 71.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.46000000000000002 111.619 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.28 -31.69 71.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.257 0.551 . . . . 0.48999999999999999 110.514 -178.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -64.57 -44.53 90.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.111 -0.949 . . . . 2.8599999999999999 110.313 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.614 HD22 HD11 ' A' ' 5' ' ' LEU . 76.1 mt -66.92 -46.57 74.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.56000000000000005 110.566 -177.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.552 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 63.4 mt-10 -59.81 -53.28 59.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.51000000000000001 110.646 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.7 t -63.41 -39.44 94.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.985 -0.552 . . . . 1.4199999999999999 111.717 -175.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 55' ' ' ARG . 39.5 ttt180 -67.64 -44.77 77.15 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.722 0.267 . . . . 2.4199999999999999 111.722 -175.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.475 ' CE1' ' HG ' ' A' ' 5' ' ' LEU . 88.6 m-85 -95.51 -20.24 19.18 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.959 0.355 . . . . 1.0800000000000001 111.959 -174.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.22 36.54 10.83 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.402 -0.904 . . . . 0.57999999999999996 111.772 -177.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.552 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 33.8 m -107.87 -170.32 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.637 0.256 . . . . 0.45000000000000001 111.101 -178.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.6 t -156.23 127.54 7.09 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.118 -0.697 . . . . 1.6200000000000001 109.118 177.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.3 mt -96.7 122.31 57.34 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.173 -0.467 . . . . 0.59999999999999998 110.626 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -58.02 128.11 27.59 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.814 2.343 . . . . 0.81000000000000005 111.621 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -64.89 -11.47 38.13 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.354 0.502 . . . . 1.99 112.354 -175.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -78.62 -44.91 22.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.267 0.556 . . . . 2.4399999999999999 110.158 173.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.505 HG11 ' HG ' ' A' ' 77' ' ' LEU . 21.5 t -74.79 -19.37 16.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.788 -0.642 . . . . 1.1399999999999999 111.169 -175.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.66 -30.09 67.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 0.68000000000000005 111.326 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -106.45 19.65 36.33 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.486 -0.864 . . . . 0.77000000000000002 112.303 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -105.34 -19.81 13.68 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.924 0.342 . . . . 3.6299999999999999 111.924 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 28.3 m -89.89 171.71 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.829 -0.348 . . . . 0.94999999999999996 111.697 -174.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -144.64 -31.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.804 -0.635 . . . . 1.75 110.45 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.5 p -127.72 149.75 71.29 Favored Pre-proline 0 C--O 1.238 0.481 0 CA-C-N 115.683 -0.689 . . . . 0.5 111.18 -177.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.548 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 72.7 Cg_exo -52.48 -42.49 61.11 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.259 2.64 . . . . 0.38 112.805 176.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -54.1 -51.86 62.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 3.5600000000000001 111.052 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -65.84 -43.62 87.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.02 -0.536 . . . . 2.4300000000000002 110.998 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.9 tt -57.06 -44.59 83.15 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.017 -0.538 . . . . 1.22 110.012 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.517 ' HG ' ' OD1' ' A' ' 79' ' ' ASN . 27.9 tp -55.77 -41.19 73.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.497 -0.774 . . . . 1.1200000000000001 111.52 -177.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -60.04 -33.74 72.45 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.122 -0.49 . . . . 1.4299999999999999 111.447 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.505 ' HG ' HG11 ' A' ' 64' ' ' VAL . 4.4 mm? -63.48 -45.26 91.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.502 -0.317 . . . . 1.6599999999999999 111.251 -178.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 24.5 mt -78.73 -37.21 20.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.549 -0.296 . . . . 0.40999999999999998 110.446 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.517 ' OD1' ' HG ' ' A' ' 75' ' ' LEU . 9.1 m120 -61.25 -46.39 90.57 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.667 0.27 . . . . 1.6699999999999999 110.692 177.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.67 -38.94 96.72 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.193 -0.527 . . . . 0.54000000000000004 112.446 -177.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.92 -33.98 72.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.99 0.424 . . . . 0.72999999999999998 111.056 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.6 mt -75.75 -34.08 60.26 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.824 -0.626 . . . . 0.87 110.949 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.27 -0.423 . . . . 1.05 111.611 -178.42 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 68.0 mt . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.697 0.284 . . . . 0.88 110.747 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.593 HD11 HD22 ' A' ' 52' ' ' LEU . 2.2 tt -83.33 121.83 27.66 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.165 -1.05 . . . . 1.0 108.165 174.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.8 p -121.96 -179.16 4.05 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.357 -0.537 . . . . 1.21 111.373 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.5 m -58.12 -34.43 70.21 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.357 -0.383 . . . . 1.3 111.186 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -68.92 -42.49 76.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.982 0.42 . . . . 2.1899999999999999 110.585 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -63.14 -45.56 91.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.806 -0.633 . . . . 1.1200000000000001 110.136 177.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.6 tp -61.84 -40.1 94.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.469 -0.787 . . . . 1.0800000000000001 110.281 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 11' ' ' ARG . 16.8 ttp180 -53.27 -40.19 64.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.927 -0.579 . . . . 2.1699999999999999 111.227 178.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -77.3 -37.81 51.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.642 -0.254 . . . . 3.6600000000000001 111.368 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.48 -35.51 76.07 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.164 0.431 . . . . 0.48999999999999999 112.164 -174.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.402 HD12 ' CE1' ' A' ' 40' ' ' TYR . 4.4 mm? -73.79 -26.49 60.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.942 0.401 . . . . 0.79000000000000004 110.995 179.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.4 t -86.28 -24.81 6.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.953 0.406 . . . . 0.70999999999999996 111.013 -178.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -85.5 -20.31 29.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.876 0.37 . . . . 1.49 110.893 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.468 ' HB3' ' HG3' ' A' ' 51' ' ' ARG . 11.6 p -88.93 -63.51 1.28 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.23 -0.441 . . . . 1.25 111.056 177.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 1.6799999999999999 110.532 179.584 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 N--CA 1.461 0.099 0 CA-C-O 121.233 0.539 . . . . 1.6000000000000001 109.556 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 t -102.87 29.91 5.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.848 -0.615 . . . . 2.0800000000000001 109.99 -177.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -151.85 -152.17 5.84 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.735 -0.666 . . . . 1.8400000000000001 111.843 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.2 82.53 2.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.526 0.203 . . . . 2.77 110.692 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -107.61 -9.66 15.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.658 0.266 . . . . 0.92000000000000004 110.829 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.677 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 93.3 mt -54.42 -25.13 22.99 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 112.572 0.582 . . . . 0.78000000000000003 112.572 -178.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -93.61 -18.17 22.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.976 0.417 . . . . 2.29 111.724 -171.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.8 mt -92.03 158.17 16.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.333 -0.394 . . . . 1.23 110.776 -177.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -71.83 142.19 49.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.489 0.185 . . . . 2.8799999999999999 111.353 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -53.62 -53.8 46.66 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.152 -0.476 . . . . 0.58999999999999997 110.928 174.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -60.17 -23.95 64.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.484 -0.78 . . . . 2.6000000000000001 111.684 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -83.9 -28.43 27.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.326 -0.397 . . . . 2.0299999999999998 111.102 -173.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.504 HG13 ' HD2' ' A' ' 40' ' ' TYR . 29.7 pt -90.19 18.05 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.06 0.457 . . . . 0.67000000000000004 111.467 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.99 39.52 4.56 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 120.99 -0.624 . . . . 0.62 113.723 172.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.504 ' HD2' HG13 ' A' ' 38' ' ' ILE . 64.3 m-85 -125.4 160.18 30.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.121 0.46 . . . . 0.70999999999999996 110.886 177.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -123.31 159.73 28.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.516 -0.765 . . . . 1.9299999999999999 109.071 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.67 -41.58 43.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.588 0.555 . . . . 0.91000000000000003 111.665 175.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.559 ' O ' ' HG3' ' A' ' 46' ' ' MET . 60.7 tp -57.78 -57.33 13.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 1.3200000000000001 111.128 177.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.63 -36.84 84.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.764 0.316 . . . . 0.46999999999999997 111.049 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.5 tp -62.26 -49.01 77.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.203 -0.453 . . . . 0.75 111.088 -178.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.559 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 5.0 ppp? -67.18 -35.92 80.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.628 -0.26 . . . . 1.26 111.1 -178.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -65.29 -35.12 80.05 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.885 0.374 . . . . 2.2000000000000002 110.622 176.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 57.6 m -64.5 -34.32 77.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.262 -0.426 . . . . 0.54000000000000004 111.392 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.2 -42.35 77.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.941 0.4 . . . . 0.46000000000000002 111.223 -178.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.62 -27.08 68.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.847 -0.615 . . . . 0.48999999999999999 110.794 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.854 ' HE ' ' HA ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -71.04 -37.58 72.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.74 -0.664 . . . . 2.8599999999999999 110.687 -179.599 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.593 HD22 HD11 ' A' ' 5' ' ' LEU . 88.4 mt -71.43 -48.1 51.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.044 0.45 . . . . 0.56000000000000005 110.253 178.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.582 ' HA ' HG22 ' A' ' 58' ' ' VAL . 41.9 mt-10 -59.66 -45.27 92.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.399 -0.819 . . . . 0.51000000000000001 111.494 -177.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.8 p -64.92 -33.37 75.87 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.278 0.473 . . . . 1.4199999999999999 112.278 -178.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -71.6 -46.69 58.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.342 . . . . 2.4199999999999999 111.667 -177.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -97.72 -17.32 19.48 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.899 0.333 . . . . 1.0800000000000001 111.899 -172.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.48 40.63 12.61 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.522 -0.847 . . . . 0.57999999999999996 111.724 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.582 HG22 ' HA ' ' A' ' 53' ' ' GLU . 34.9 m -108.85 -170.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.45000000000000001 111.418 -177.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.499 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 64.6 m -153.05 130.36 11.29 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.916 -0.584 . . . . 1.6200000000000001 109.513 175.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.496 HG22 ' HB2' ' A' ' 65' ' ' ALA . 60.0 mt -95.06 119.49 65.72 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.554 -0.294 . . . . 0.59999999999999998 110.703 -178.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 19.4 Cg_exo -66.44 140.73 58.78 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.989 2.459 . . . . 0.81000000000000005 112.674 -177.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -58.62 -27.05 64.34 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.603 -0.726 . . . . 1.99 112.388 -176.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 4.5 m-20 -74.75 -60.79 2.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.736 0.303 . . . . 2.4399999999999999 111.271 -175.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.901 HG11 ' HG ' ' A' ' 77' ' ' LEU . 5.4 t -72.9 -23.43 20.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.941 -0.304 . . . . 1.1399999999999999 111.487 -173.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.496 ' HB2' HG22 ' A' ' 60' ' ' ILE . . . -60.13 -38.51 83.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.085 0.469 . . . . 0.68000000000000005 111.651 -177.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -91.3 -0.71 73.15 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.598 -0.81 . . . . 0.77000000000000002 112.559 -177.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 92.9 mtt180 -102.26 1.49 35.88 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 121.062 -0.255 . . . . 3.6299999999999999 111.669 -177.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.9 m -87.68 168.38 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.593 -0.443 . . . . 0.94999999999999996 110.587 178.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -149.48 -50.27 0.14 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.48 0.657 . . . . 1.75 109.624 -177.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 34.8 p -105.38 149.9 38.31 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 114.942 -1.026 . . . . 0.5 111.009 176.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.677 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 53.2 Cg_exo -56.8 -32.68 92.42 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.467 2.778 . . . . 0.38 112.609 177.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.456 ' HD3' ' C ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -56.11 -51.78 66.68 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.281 0.363 . . . . 3.5600000000000001 110.254 179.507 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.407 ' HG2' ' OG1' ' A' ' 70' ' ' THR . 10.2 mm-40 -66.9 -41.67 86.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.353 -0.385 . . . . 2.4300000000000002 110.834 -177.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.1 tp -57.0 -53.37 58.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.064 -0.516 . . . . 1.22 110.273 176.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.0 tp -58.28 -48.02 81.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.778 -0.646 . . . . 1.1200000000000001 110.74 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -57.63 -46.3 84.31 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.12 -0.491 . . . . 1.4299999999999999 111.273 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.901 ' HG ' HG11 ' A' ' 64' ' ' VAL . 3.1 tm? -62.55 -45.36 93.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.231 -0.441 . . . . 1.6599999999999999 110.135 -179.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.417 ' O ' HD23 ' A' ' 82' ' ' LEU . 62.0 mt -67.98 -34.84 69.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.40999999999999998 110.361 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.6 -41.57 98.32 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.677 0.275 . . . . 1.6699999999999999 110.742 175.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -60.75 -34.1 85.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.169 -0.539 . . . . 0.54000000000000004 112.094 176.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.2 -47.29 44.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.618 0.247 . . . . 0.72999999999999998 110.56 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 78' ' ' ILE . 2.7 mm? -62.52 -32.42 73.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.87 111.326 178.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.324 -0.398 . . . . 1.05 110.826 175.905 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.1 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.659 0.266 . . . . 0.88 110.504 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.494 HD11 HD13 ' A' ' 52' ' ' LEU . 3.5 tt -83.28 123.32 29.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.759 -0.83 . . . . 1.0 108.759 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.2 p -120.04 -174.41 2.76 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.555 -0.458 . . . . 1.21 112.196 -178.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.522 HG22 HD11 ' A' ' 31' ' ' LEU . 1.6 p -55.81 -56.53 19.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.496 -0.775 . . . . 1.3 111.833 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.89 -38.76 79.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.85 -1.068 . . . . 2.1899999999999999 110.689 -178.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -64.33 -44.97 89.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.641 -0.708 . . . . 1.1200000000000001 111.175 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.565 HD11 ' HB3' ' A' ' 71' ' ' PRO . 0.9 OUTLIER -54.99 -50.19 69.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.592 -0.731 . . . . 1.0800000000000001 109.632 -178.637 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -52.84 -42.44 65.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.419 -0.809 . . . . 2.1699999999999999 111.382 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 -63.47 -40.47 97.21 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 115.805 -0.634 . . . . 3.6600000000000001 111.755 -177.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.468 ' HB2' HD21 ' A' ' 52' ' ' LEU . . . -60.01 -37.72 80.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.744 0.307 . . . . 0.48999999999999999 110.685 -175.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.3 mm? -65.7 -48.37 72.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.976 -0.556 . . . . 0.79000000000000004 110.933 178.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.4 t -67.86 -49.48 68.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.08 -0.509 . . . . 0.70999999999999996 111.429 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -63.02 -23.84 67.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.376 -0.375 . . . . 1.49 111.433 -177.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.2 t -82.62 -62.9 1.48 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.559 -0.291 . . . . 1.25 110.851 178.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.304 -0.407 . . . . 1.6799999999999999 111.319 -174.456 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.431 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 39.6 tp . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 121.065 0.46 . . . . 1.6000000000000001 110.771 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.8 t -82.04 -1.21 47.67 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.186 0.517 . . . . 2.0800000000000001 110.89 -176.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 171.52 -46.56 0.18 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.611 -0.804 . . . . 1.8400000000000001 112.004 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.49 99.01 11.96 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.741 -0.466 . . . . 2.77 109.741 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -148.07 -31.74 0.28 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.241 0.46 . . . . 0.92000000000000004 112.241 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.639 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 72.0 mt -55.62 -27.58 50.4 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.584 0.587 . . . . 0.78000000000000003 112.584 -178.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -92.21 -19.13 22.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.636 0.255 . . . . 2.29 111.58 -173.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -89.05 143.07 27.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.461 -0.336 . . . . 1.23 110.386 -176.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -70.77 145.53 50.36 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.595 -0.52 . . . . 2.8799999999999999 109.595 177.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -52.54 -40.87 62.98 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.976 0.417 . . . . 0.58999999999999997 111.434 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -60.03 -33.09 71.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.884 -0.598 . . . . 2.6000000000000001 111.107 178.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -84.66 -23.94 29.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.818 -0.628 . . . . 2.0299999999999998 110.339 -170.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.497 HG13 ' HD1' ' A' ' 40' ' ' TYR . 21.3 pt -90.85 9.4 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.67000000000000004 110.869 176.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.86 26.21 35.53 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.928 -0.653 . . . . 0.62 114.378 170.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.497 ' HD1' HG13 ' A' ' 38' ' ' ILE . 59.3 m-85 -105.11 115.0 29.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 117.835 0.817 . . . . 0.70999999999999996 111.016 178.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.2 179.62 7.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.947 -1.024 . . . . 1.9299999999999999 111.292 -175.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 63.7 p -50.78 -60.42 3.07 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.368 -0.833 . . . . 0.91000000000000003 111.657 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' ' HG3' ' A' ' 46' ' ' MET . 58.3 tp -53.38 -51.01 63.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.454 -0.794 . . . . 1.3200000000000001 111.434 -179.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.87 97.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.118 -0.492 . . . . 0.46999999999999997 111.464 -175.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.4 tp -68.21 -43.22 78.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.163 -0.472 . . . . 0.75 111.599 -176.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.434 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 4.7 ppp? -70.66 -31.75 68.78 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.762 -0.375 . . . . 1.26 111.07 -176.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -66.44 -37.14 84.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.054 0.454 . . . . 2.2000000000000002 110.661 173.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.499 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 37.7 m -61.62 -39.12 90.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.724 -0.671 . . . . 0.54000000000000004 110.715 178.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.44 -48.24 79.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.46000000000000002 110.922 177.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.38 -30.3 70.45 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.893 -0.594 . . . . 0.48999999999999999 110.718 -177.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.499 ' HB2' ' O ' ' A' ' 48' ' ' THR . 23.1 mmm180 -58.48 -55.16 38.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.754 -0.657 . . . . 2.8599999999999999 110.81 176.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.494 HD13 HD11 ' A' ' 5' ' ' LEU . 90.2 mt -64.58 -43.0 95.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.462 -0.335 . . . . 0.56000000000000005 111.152 -176.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.61 ' HA ' HG22 ' A' ' 58' ' ' VAL . 46.9 mt-10 -58.02 -56.48 21.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.51000000000000001 110.891 -178.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.8 m -67.75 -27.25 66.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.008 -0.542 . . . . 1.4199999999999999 111.695 -177.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 51' ' ' ARG . 33.0 ttt180 -72.16 -46.89 54.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 2.4199999999999999 111.419 -175.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -94.24 -21.5 19.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.556 -0.293 . . . . 1.0800000000000001 111.433 -177.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.13 47.93 3.71 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.707 -0.758 . . . . 0.57999999999999996 111.355 -175.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.61 HG22 ' HA ' ' A' ' 53' ' ' GLU . 17.9 m -124.41 -171.55 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.767 0.317 . . . . 0.45000000000000001 110.652 -178.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.8 m -151.57 132.77 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.555 -0.535 . . . . 1.6200000000000001 109.555 174.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 67.5 mt -94.59 124.64 54.46 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 110.257 -0.275 . . . . 0.59999999999999998 110.257 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.503 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 50.9 Cg_exo -55.42 133.39 57.83 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.925 2.416 . . . . 0.81000000000000005 111.967 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.2 -53.1 58.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.675 -0.693 . . . . 1.99 112.319 -171.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -79.91 -31.13 40.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.785 0.326 . . . . 2.4399999999999999 111.738 -174.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.503 ' HB ' ' HB2' ' A' ' 61' ' ' PRO . 30.7 t -74.65 -18.86 16.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.983 0.42 . . . . 1.1399999999999999 110.555 -178.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.45 -29.56 70.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.167 0.508 . . . . 0.68000000000000005 111.16 178.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.81 20.2 40.55 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.091 -0.576 . . . . 0.77000000000000002 112.395 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.421 ' HA ' ' NE ' ' A' ' 67' ' ' ARG . 4.6 mmp_? -117.66 26.87 9.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.593 0.235 . . . . 3.6299999999999999 110.746 -178.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.762 HG21 HD23 ' A' ' 74' ' ' LEU . 13.8 m -136.3 107.36 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.321 0.582 . . . . 0.94999999999999996 110.951 -178.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -91.89 -42.07 10.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 1.75 111.181 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.443 ' OG1' ' HG2' ' A' ' 73' ' ' GLU . 69.9 p -105.87 142.68 25.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.318 -0.401 . . . . 0.5 110.952 -179.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.639 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 86.9 Cg_exo -52.33 -33.46 55.94 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 123.291 2.661 . . . . 0.38 112.883 177.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -53.99 -52.98 59.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.368 -0.378 . . . . 3.5600000000000001 111.021 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.443 ' HG2' ' OG1' ' A' ' 70' ' ' THR . 20.4 mm-40 -67.23 -40.98 86.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.779 -0.646 . . . . 2.4300000000000002 110.448 -178.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.762 HD23 HG21 ' A' ' 68' ' ' VAL . 3.2 tm? -59.16 -45.52 90.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 1.22 110.097 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 tt -57.99 -46.08 85.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.764 -0.653 . . . . 1.1200000000000001 110.366 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -67.25 -37.7 83.95 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.069 -0.514 . . . . 1.4299999999999999 111.034 -178.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.92 -48.44 81.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.19 -0.459 . . . . 1.6599999999999999 111.016 -178.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.4 mt -68.26 -38.0 78.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.258 -0.428 . . . . 0.40999999999999998 110.641 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -63.78 -38.39 90.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.446 -0.343 . . . . 1.6699999999999999 110.797 177.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.74 -35.12 91.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.261 -0.495 . . . . 0.54000000000000004 112.365 178.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.4 -27.82 62.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.72999999999999998 110.598 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.6 mt -78.57 -39.33 37.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.269 -0.423 . . . . 0.87 110.365 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.169 0 CA-C-N 115.972 -0.558 . . . . 1.05 111.046 178.768 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.8 mt . . . . . 0 CA--C 1.521 -0.166 0 N-CA-C 110.264 -0.273 . . . . 0.88 110.264 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.632 HD11 HD13 ' A' ' 52' ' ' LEU . 6.5 tt -90.61 122.09 33.1 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.707 -0.849 . . . . 1.0 108.707 175.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.2 t -114.79 169.82 8.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.016 0.436 . . . . 1.21 111.269 -178.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -56.82 -39.62 74.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.483 -0.781 . . . . 1.3 112.019 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -60.53 -45.99 91.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.861 -0.609 . . . . 2.1899999999999999 110.605 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -65.1 -38.95 92.34 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.903 -0.59 . . . . 1.1200000000000001 111.229 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.465 HD21 ' HB3' ' A' ' 71' ' ' PRO . 20.5 tp -60.67 -45.75 92.96 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.318 -0.401 . . . . 1.0800000000000001 110.068 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -56.46 -49.72 73.8 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.137 -0.483 . . . . 2.1699999999999999 111.855 178.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -71.43 -30.28 65.88 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.832 0.308 . . . . 3.6600000000000001 111.832 -176.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.48 -36.6 80.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.606 -0.27 . . . . 0.48999999999999999 111.633 -174.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.537 HD13 HG21 ' A' ' 48' ' ' THR . 4.4 mm? -66.27 -27.32 67.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.158 0.504 . . . . 0.79000000000000004 110.904 179.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.7 t -86.72 -32.93 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.071 -0.513 . . . . 0.70999999999999996 110.566 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -78.21 -12.71 60.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.735 -0.666 . . . . 1.49 111.671 -178.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.533 ' HB3' ' HA ' ' A' ' 48' ' ' THR . 13.8 p -85.09 -62.3 1.57 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.784 0.326 . . . . 1.25 110.831 175.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 1.6799999999999999 111.576 -177.8 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 CA--C 1.519 -0.219 0 N-CA-C 108.996 -0.742 . . . . 1.6000000000000001 108.996 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 p -98.76 18.26 17.4 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.853 -1.067 . . . . 2.0800000000000001 112.578 -172.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 173.04 133.86 1.73 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 119.545 -1.312 . . . . 1.8400000000000001 113.592 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 55.12 29.15 12.02 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.193 0.812 . . . . 2.77 113.193 172.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -83.55 -20.8 33.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.474 -0.33 . . . . 0.92000000000000004 111.207 -175.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.577 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 44.8 mt -58.37 -28.01 64.75 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.188 0.44 . . . . 0.78000000000000003 112.188 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -93.49 -18.69 22.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.233 0.539 . . . . 2.29 110.781 -176.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.5 mt -85.24 132.43 34.27 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.937 -0.574 . . . . 1.23 109.922 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -69.0 154.39 42.15 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.098 -0.334 . . . . 2.8799999999999999 110.098 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.408 ' HA ' HG12 ' A' ' 38' ' ' ILE . 55.7 m-85 -53.76 -26.29 22.85 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.209 0.528 . . . . 0.58999999999999997 110.886 176.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -58.49 -36.77 74.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.318 -0.856 . . . . 2.6000000000000001 111.955 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -85.26 -27.46 26.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.895 0.379 . . . . 2.0299999999999998 111.093 -173.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.456 HG13 ' HD2' ' A' ' 40' ' ' TYR . 23.7 pt -90.29 11.07 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.436 -0.347 . . . . 0.67000000000000004 111.479 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.12 49.5 57.48 Favored Glycine 0 C--N 1.332 0.352 0 CA-C-N 116.01 -0.541 . . . . 0.62 113.82 172.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.466 ' OH ' ' HB3' ' A' ' 14' ' ' LEU . 37.1 m-85 -121.49 123.64 42.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.283 0.542 . . . . 0.70999999999999996 111.841 176.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -80.36 164.11 23.37 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.305 -0.861 . . . . 1.9299999999999999 111.472 177.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.3 p -52.06 -51.39 57.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.993 -1.003 . . . . 0.91000000000000003 112.22 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.535 ' O ' ' HG2' ' A' ' 46' ' ' MET . 31.3 tp -57.69 -50.55 72.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.646 -0.706 . . . . 1.3200000000000001 111.316 -177.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.07 77.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.189 0.519 . . . . 0.46999999999999997 110.412 -179.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.2 tp -63.84 -48.56 76.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.776 -0.647 . . . . 0.75 110.777 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.535 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 22.0 ptm -66.34 -32.67 74.21 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.69 0.281 . . . . 1.26 111.094 -177.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -66.46 -39.13 88.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.995 0.426 . . . . 2.2000000000000002 110.462 176.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.537 HG21 HD13 ' A' ' 14' ' ' LEU . 25.7 m -62.6 -32.91 74.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.867 -0.606 . . . . 0.54000000000000004 111.048 177.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.589 ' HB1' HD12 ' A' ' 60' ' ' ILE . . . -57.05 -45.94 82.81 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.003 -0.544 . . . . 0.46000000000000002 111.338 177.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.91 -29.7 69.75 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.859 -0.61 . . . . 0.48999999999999999 111.059 -175.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -61.63 -51.25 69.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.55 -0.75 . . . . 2.8599999999999999 110.388 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.632 HD13 HD11 ' A' ' 5' ' ' LEU . 96.4 mt -70.91 -36.86 72.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.664 -0.698 . . . . 0.56000000000000005 111.156 -177.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.593 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 49.0 mt-10 -57.66 -58.75 6.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.232 -0.44 . . . . 0.51000000000000001 110.988 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.3 t -65.16 -35.04 79.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.023 -0.535 . . . . 1.4199999999999999 111.534 -176.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -70.68 -45.19 65.5 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.115 0.413 . . . . 2.4199999999999999 112.115 -173.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -106.68 13.07 28.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.035 0.383 . . . . 1.0800000000000001 112.035 -175.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.24 39.99 97.56 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 121.045 -0.597 . . . . 0.57999999999999996 112.769 175.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.593 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 29.0 m -116.59 -174.25 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 110.158 -0.312 . . . . 0.45000000000000001 110.158 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.2 t -155.42 130.78 9.62 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.109 -0.701 . . . . 1.6200000000000001 109.109 173.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.589 HD12 ' HB1' ' A' ' 49' ' ' ALA . 58.4 mt -93.89 113.4 60.41 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-O 120.83 0.348 . . . . 0.59999999999999998 110.327 -176.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 31.1 Cg_exo -62.03 131.54 35.29 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.965 2.443 . . . . 0.81000000000000005 112.77 -177.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -55.59 -30.08 60.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.215 -0.902 . . . . 1.99 111.28 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -75.26 -50.57 15.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.92 -0.582 . . . . 2.4399999999999999 111.392 -176.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.3 t -74.06 -25.78 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 1.1399999999999999 111.279 -174.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 68' ' ' VAL . . . -60.66 -38.92 86.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.093 -0.503 . . . . 0.68000000000000005 112.057 -177.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.62 37.85 2.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.009 -0.615 . . . . 0.77000000000000002 113.099 -176.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 67' ' ' ARG . 51.2 mtp180 -141.74 -5.28 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.661 -0.317 . . . . 3.6299999999999999 110.992 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.752 HG11 HD23 ' A' ' 74' ' ' LEU . 7.4 p -102.05 116.35 45.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.582 0.706 . . . . 0.94999999999999996 111.863 -173.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -95.05 -36.63 11.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.737 -0.665 . . . . 1.75 110.916 175.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.9 p -108.56 135.09 20.06 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.672 -0.694 . . . . 0.5 112.174 -172.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.577 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 57.7 Cg_exo -53.32 -27.42 38.83 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.528 2.819 . . . . 0.38 112.983 176.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.12 -57.02 12.69 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.884 0.373 . . . . 3.5600000000000001 110.566 176.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.587 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 20.9 mm-40 -62.0 -40.9 97.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.832 -0.622 . . . . 2.4300000000000002 110.892 -178.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.752 HD23 HG11 ' A' ' 68' ' ' VAL . 1.5 tm? -58.2 -50.85 72.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.886 -0.597 . . . . 1.22 110.137 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.4 tt -58.84 -44.65 91.01 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.892 -0.595 . . . . 1.1200000000000001 110.882 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.51 -36.28 80.76 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.397 0.517 . . . . 1.4299999999999999 112.397 -177.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 94.4 mt -62.83 -47.07 85.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.96 0.409 . . . . 1.6599999999999999 110.428 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.8 mt -70.21 -39.16 76.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.187 -0.461 . . . . 0.40999999999999998 110.79 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -68.1 -28.56 67.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.543 -0.299 . . . . 1.6699999999999999 111.48 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.23 -38.66 95.4 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 121.327 -0.463 . . . . 0.54000000000000004 112.152 178.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.06 -33.7 65.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.04 0.448 . . . . 0.72999999999999998 110.614 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.2 mt -82.75 -8.23 59.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.018 -0.537 . . . . 0.87 111.605 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.041 0.448 . . . . 1.05 110.988 -179.817 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 51.0 mt . . . . . 0 CA--C 1.528 0.115 0 CA-C-O 120.699 0.285 . . . . 0.88 110.54 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.621 HD11 HD22 ' A' ' 52' ' ' LEU . 3.1 tt -80.01 122.81 27.2 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.449 -0.945 . . . . 1.0 108.449 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.421 ' H ' ' HB2' ' A' ' 9' ' ' ASP . 33.5 p -109.01 176.11 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.753 0.311 . . . . 1.21 111.326 -176.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -61.69 -54.07 47.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 1.3 111.641 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -67.62 -27.96 67.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.649 -0.251 . . . . 2.1899999999999999 111.016 -178.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.645 ' HB3' ' OH ' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -62.21 -51.95 65.73 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.338 0.59 . . . . 1.1200000000000001 109.91 171.032 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.437 ' HG ' HD23 ' A' ' 14' ' ' LEU . 21.6 tp -61.02 -39.89 91.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.269 -0.878 . . . . 1.0800000000000001 110.776 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -51.99 -39.78 59.94 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.722 -0.672 . . . . 2.1699999999999999 111.365 177.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.852 ' HE ' ' HA ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -78.24 -40.46 37.16 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.507 -0.315 . . . . 3.6600000000000001 111.121 -179.719 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.54 98.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.192 -0.458 . . . . 0.48999999999999999 111.836 -175.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.578 HD13 HG21 ' A' ' 48' ' ' THR . 4.4 mm? -59.99 -43.92 94.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.953 0.406 . . . . 0.79000000000000004 111.082 177.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.9 t -67.05 -39.4 83.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 0.70999999999999996 111.095 -177.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 45.5 mt-10 -59.19 -36.81 76.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 1.49 111.063 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 t -85.71 -1.97 57.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.209 -0.45 . . . . 1.25 111.612 -177.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.795 0.331 . . . . 1.6799999999999999 111.883 -177.63 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.8 mp . . . . . 0 CA--C 1.53 0.185 0 N-CA-C 111.822 0.304 . . . . 1.6000000000000001 111.822 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.0 m -95.85 -48.78 5.6 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.666 0.269 . . . . 2.0800000000000001 111.171 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.52 46.03 3.49 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 121.143 -0.551 . . . . 1.8400000000000001 113.346 -174.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 61.97 104.31 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.764 0.793 . . . . 2.77 112.34 176.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -110.38 1.8 18.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.049 -0.978 . . . . 0.92000000000000004 111.467 -172.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.51 ' O ' ' HB ' ' A' ' 70' ' ' THR . 26.5 mt -53.23 -37.13 61.77 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.086 0.773 . . . . 0.78000000000000003 113.086 -174.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -92.13 1.08 57.43 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.932 0.345 . . . . 2.29 111.932 -176.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.8 mt -92.35 132.25 36.88 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.29 -0.634 . . . . 1.23 109.29 174.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -71.43 164.61 25.46 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.875 -0.33 . . . . 2.8799999999999999 110.161 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -58.06 -29.63 65.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.901 0.381 . . . . 0.58999999999999997 110.121 174.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -58.97 -32.19 69.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.461 -0.791 . . . . 2.6000000000000001 111.526 172.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -80.45 -40.57 26.03 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.328 -0.397 . . . . 2.0299999999999998 110.411 -175.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.7 pt -89.66 6.69 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.282 -0.417 . . . . 0.67000000000000004 111.678 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.13 45.55 95.17 Favored Glycine 0 CA--C 1.518 0.254 0 CA-C-N 115.94 -0.573 . . . . 0.62 114.063 173.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -110.99 113.48 26.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.395 0.617 . . . . 0.70999999999999996 111.506 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.89 164.17 24.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.854 -1.066 . . . . 1.9299999999999999 111.808 -178.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.1 p -49.58 -53.62 22.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.808 -1.087 . . . . 0.91000000000000003 111.573 174.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.422 ' O ' ' HG2' ' A' ' 46' ' ' MET . 54.1 tp -58.49 -40.3 82.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.335 -0.848 . . . . 1.3200000000000001 110.954 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.68 95.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.083 0.468 . . . . 0.46999999999999997 110.499 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.99 -48.33 79.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.635 -0.711 . . . . 0.75 111.56 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.422 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 27.3 ptm -64.7 -34.49 78.44 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.948 -0.301 . . . . 1.26 110.926 -177.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -67.53 -42.72 82.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.358 . . . . 2.2000000000000002 110.168 174.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.578 HG21 HD13 ' A' ' 14' ' ' LEU . 43.3 m -63.47 -36.51 83.98 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.108 -0.496 . . . . 0.54000000000000004 111.61 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.84 -40.6 69.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.366 -0.379 . . . . 0.46000000000000002 111.488 -178.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.94 -31.83 72.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.042 -0.526 . . . . 0.48999999999999999 111.1 -176.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -69.33 -44.23 72.09 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.622 -0.717 . . . . 2.8599999999999999 109.774 -177.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.621 HD22 HD11 ' A' ' 5' ' ' LEU . 48.2 mt -68.53 -48.1 65.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.576 -0.738 . . . . 0.56000000000000005 110.486 -178.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.526 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 53.0 mt-10 -57.34 -51.89 67.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.884 -0.598 . . . . 0.51000000000000001 111.145 -177.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.7 t -66.36 -42.79 87.53 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.524 -0.307 . . . . 1.4199999999999999 111.344 -176.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -70.83 -48.78 52.21 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.285 0.476 . . . . 2.4199999999999999 112.285 -174.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.645 ' OH ' ' HB3' ' A' ' 9' ' ' ASP . 70.7 m-85 -94.36 6.89 47.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.935 0.398 . . . . 1.0800000000000001 111.142 -172.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 65.88 44.07 92.6 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.655 -0.702 . . . . 0.57999999999999996 112.562 175.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.526 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 32.9 m -126.71 -176.06 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.076 0.465 . . . . 0.45000000000000001 111.253 -176.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.4 p -150.39 135.48 17.77 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 108.732 -0.84 . . . . 1.6200000000000001 108.732 172.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 60.8 mt -91.52 116.71 66.98 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 110.152 -0.314 . . . . 0.59999999999999998 110.152 -177.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.15 127.27 24.44 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.09 2.527 . . . . 0.81000000000000005 112.087 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -61.92 -19.3 62.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.689 -0.687 . . . . 1.99 112.175 -175.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -78.18 -53.76 6.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.006 0.432 . . . . 2.4399999999999999 110.733 175.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.1 t -74.87 -19.51 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.951 -0.568 . . . . 1.1399999999999999 111.412 -174.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.5 -39.74 84.81 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.123 0.487 . . . . 0.68000000000000005 111.472 -177.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.13 35.52 4.73 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.456 -0.878 . . . . 0.77000000000000002 112.419 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -142.5 42.84 1.62 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.754 0.311 . . . . 3.6299999999999999 110.802 -177.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.552 HG21 HD23 ' A' ' 74' ' ' LEU . 22.3 m -140.73 166.47 18.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.245 -0.434 . . . . 0.94999999999999996 110.876 179.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -138.24 -43.84 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 1.75 110.991 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.51 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 77.1 p -107.56 149.64 39.13 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.959 -0.564 . . . . 0.5 111.585 -176.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.407 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 44.7 Cg_exo -57.73 -26.47 73.32 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.81 2.34 . . . . 0.38 111.92 172.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.577 ' HE ' ' HA ' ' A' ' 72' ' ' ARG . 1.1 tpm_? -53.89 -55.75 23.96 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.754 0.311 . . . . 3.5600000000000001 110.163 174.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -63.66 -46.99 83.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.189 -0.914 . . . . 2.4300000000000002 110.537 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.552 HD23 HG21 ' A' ' 68' ' ' VAL . 1.4 tm? -58.53 -51.25 70.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.735 -0.666 . . . . 1.22 110.775 -178.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.7 tp -59.18 -44.1 92.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.946 -0.57 . . . . 1.1200000000000001 111.25 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.77 -36.88 83.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.791 -0.64 . . . . 1.4299999999999999 111.023 -175.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.28 -52.33 64.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.034 -0.53 . . . . 1.6599999999999999 110.065 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.0 mt -63.56 -46.65 94.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.40999999999999998 110.823 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -60.64 -38.33 84.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 1.6699999999999999 111.235 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.62 -37.13 93.27 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 121.117 -0.563 . . . . 0.54000000000000004 112.339 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.42 -28.89 64.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.013 0.435 . . . . 0.72999999999999998 110.902 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.406 HD21 ' CG1' ' A' ' 58' ' ' VAL . 67.4 mt -73.87 -19.43 60.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.044 -0.526 . . . . 0.87 111.241 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.461 -0.336 . . . . 1.05 111.639 -179.02 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.671 0.272 . . . . 5.0199999999999996 110.386 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.6 163.31 39.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.385 -0.371 . . . . 2.3199999999999998 110.535 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.4 m -81.34 106.23 13.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.907 0.384 . . . . 2.1000000000000001 110.624 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.4 mt -81.24 166.79 20.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.88 111.485 -179.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.635 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 1.2 tt -85.2 123.75 31.07 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.591 -0.522 . . . . 1.0 109.591 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.531 ' OG1' ' HB2' ' A' ' 9' ' ' ASP . 67.9 p -106.15 173.53 6.27 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.138 -0.225 . . . . 1.21 111.437 -177.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.3 p -59.23 -56.78 17.74 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.265 0.555 . . . . 1.3 110.94 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.561 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 32.2 t70 -62.93 -38.73 92.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.49 -0.777 . . . . 2.1899999999999999 111.085 -177.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.531 ' HB2' ' OG1' ' A' ' 6' ' ' THR . 0.2 OUTLIER -61.31 -44.94 96.37 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.752 0.311 . . . . 1.1200000000000001 110.36 178.564 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.4 tp -62.74 -46.46 87.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 1.0800000000000001 109.851 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -55.5 -41.9 73.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.583 -0.735 . . . . 2.1699999999999999 111.08 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.561 ' HG2' ' O ' ' A' ' 8' ' ' ASP . 23.9 mmm180 -68.17 -43.47 78.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.315 -0.402 . . . . 3.6600000000000001 110.892 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.3 -41.42 93.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.451 -0.341 . . . . 0.48999999999999999 111.896 -173.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 40' ' ' TYR . 4.3 mm? -59.82 -45.57 91.96 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.976 0.417 . . . . 0.79000000000000004 110.678 176.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 52.8 t -67.66 -48.02 77.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.855 -0.611 . . . . 0.70999999999999996 110.845 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 47.3 mt-10 -57.69 -29.96 65.09 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.22 -0.445 . . . . 1.49 111.556 -177.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.498 ' OG ' ' HG3' ' A' ' 51' ' ' ARG . 18.1 m -81.61 -54.6 5.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.967 0.413 . . . . 1.25 111.405 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.697 ' HB1' ' HG2' ' A' ' 20' ' ' GLU . . . -81.13 -63.73 1.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.903 0.382 . . . . 1.6799999999999999 111.607 -174.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.55 -2.69 65.12 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.504 -0.855 . . . . 2.1400000000000001 111.744 -175.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.697 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 33.0 mm-40 -66.14 108.4 2.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.582 -0.525 . . . . 5.4699999999999998 109.582 177.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -125.58 31.9 5.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.58 0.705 . . . . 4.4699999999999998 110.509 -177.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -123.19 120.76 34.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.9 -0.591 . . . . 4.4000000000000004 110.562 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.72 -42.83 3.13 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.644 -0.789 . . . . 2.54 112.962 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.4 t -93.95 119.14 32.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.449 0.643 . . . . 3.02 111.31 -178.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -114.73 114.4 25.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.935 -0.575 . . . . 2.7599999999999998 110.593 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.3 mp -89.7 14.67 11.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.037 -0.528 . . . . 1.6000000000000001 110.343 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.2 m -83.62 11.53 7.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.876 -0.602 . . . . 2.0800000000000001 110.988 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.61 -117.46 1.75 Allowed Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.605 -0.807 . . . . 1.8400000000000001 112.199 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -108.16 108.69 19.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.195 0.521 . . . . 2.77 110.456 -178.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -121.24 -30.94 4.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.39 -0.823 . . . . 0.92000000000000004 111.22 -174.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.3 mt -57.22 -30.37 64.54 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.613 0.597 . . . . 0.78000000000000003 112.613 -177.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -90.62 -17.45 26.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.58 -0.282 . . . . 2.29 111.239 -175.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.0 mt -86.68 150.33 24.27 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.904 -0.406 . . . . 1.23 109.904 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.519 ' HG2' ' OD2' ' A' ' 69' ' ' ASP . 64.3 mtm180 -73.87 161.89 29.67 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.617 -0.512 . . . . 2.8799999999999999 109.617 177.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -54.78 -46.6 74.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.992 0.425 . . . . 0.58999999999999997 111.062 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -65.47 -22.27 66.73 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.117 -0.492 . . . . 2.6000000000000001 112.197 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -79.38 -32.91 43.19 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.873 -0.417 . . . . 2.0299999999999998 109.873 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.457 HG13 ' HD1' ' A' ' 40' ' ' TYR . 15.6 pt -88.93 14.95 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.67000000000000004 110.916 176.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.49 32.18 62.35 Favored Glycine 0 CA--C 1.518 0.233 0 CA-C-N 115.58 -0.736 . . . . 0.62 113.766 172.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 43.6 m-85 -109.3 118.87 37.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.193 0.521 . . . . 0.70999999999999996 111.47 178.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.1 150.76 47.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.078 -0.965 . . . . 1.9299999999999999 110.519 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.8 p -52.89 -45.12 67.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.131 -0.486 . . . . 0.91000000000000003 111.736 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.404 ' O ' ' HG2' ' A' ' 46' ' ' MET . 1.7 tm? -64.0 -49.39 72.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.001 -0.545 . . . . 1.3200000000000001 110.255 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.04 -31.37 72.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.231 0.539 . . . . 0.46999999999999997 110.502 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.665 ' HG ' ' H6A' ' A' ' 87' ' ' SXO . 47.3 tp -65.65 -46.6 78.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.588 -0.733 . . . . 0.75 111.194 177.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 21.1 ptm -71.15 -25.33 62.51 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.517 -0.473 . . . . 1.26 110.694 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 43.5 mt-10 -64.54 -41.47 96.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.017 0.437 . . . . 2.2000000000000002 109.829 171.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.439 HG21 HD22 ' A' ' 14' ' ' LEU . 42.0 m -61.07 -39.88 91.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.308 -0.86 . . . . 0.54000000000000004 110.606 177.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.494 ' HB1' HD12 ' A' ' 60' ' ' ILE . . . -56.73 -42.13 78.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.76 -0.655 . . . . 0.46000000000000002 111.245 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.16 -32.85 73.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.305 0.574 . . . . 0.48999999999999999 110.436 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.498 ' HG3' ' OG ' ' A' ' 17' ' ' SER . 10.3 mmt180 -68.19 -39.08 82.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.642 -0.708 . . . . 2.8599999999999999 110.195 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.7 mt -62.54 -48.98 77.13 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.751 -0.659 . . . . 0.56000000000000005 110.134 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.538 ' OE2' ' HA ' ' A' ' 59' ' ' SER . 55.2 mt-10 -58.6 -43.77 89.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.677 -0.692 . . . . 0.51000000000000001 110.692 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.0 m -67.24 -25.53 66.13 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.334 0.494 . . . . 1.4199999999999999 112.334 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -89.89 -47.81 7.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.976 0.417 . . . . 2.4199999999999999 111.415 -175.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.635 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 68.7 m-85 -96.75 -6.17 36.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.252 -0.431 . . . . 1.0800000000000001 111.632 -173.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.08 24.77 72.92 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.83 -0.7 . . . . 0.57999999999999996 112.114 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.6 m -97.99 -171.34 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.756 0.312 . . . . 0.45000000000000001 110.617 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.538 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 7.0 t -157.71 132.19 8.4 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.324 -0.621 . . . . 1.6200000000000001 109.324 174.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.636 HG21 ' H8 ' ' A' ' 87' ' ' SXO . 56.1 mt -97.57 120.89 59.7 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.291 -0.413 . . . . 0.59999999999999998 110.934 -176.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 36.9 Cg_exo -63.2 154.66 66.27 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.564 2.843 . . . . 0.81000000000000005 113.68 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -58.38 -56.96 15.35 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.04 -0.982 . . . . 1.99 112.908 -174.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -72.01 -40.0 68.79 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.673 0.273 . . . . 2.4399999999999999 111.587 -169.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.1 p -73.26 -23.84 20.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.77 -0.372 . . . . 1.1399999999999999 110.995 -175.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.438 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -61.9 -40.18 94.55 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.104 0.478 . . . . 0.68000000000000005 111.127 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.18 1.32 84.54 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.85 -0.691 . . . . 0.77000000000000002 112.751 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -100.65 0.38 39.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.502 -0.41 . . . . 3.6299999999999999 111.781 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 65' ' ' ALA . 28.3 m -91.33 172.3 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.747 -0.381 . . . . 0.94999999999999996 110.355 176.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.519 ' OD2' ' HG2' ' A' ' 34' ' ' ARG . 34.1 t70 -147.71 -47.9 0.17 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.302 -0.408 . . . . 1.75 110.957 -174.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.5 p -110.65 149.68 40.65 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.43 -0.35 . . . . 0.5 111.083 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -52.98 -37.07 77.99 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.639 2.893 . . . . 0.38 113.23 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.513 ' HD2' ' OE2' ' A' ' 73' ' ' GLU . 15.9 ttm180 -54.87 -50.44 68.69 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.463 -0.335 . . . . 3.5600000000000001 110.727 -179.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.513 ' OE2' ' HD2' ' A' ' 72' ' ' ARG . 16.8 mm-40 -64.74 -34.3 77.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.818 -0.628 . . . . 2.4300000000000002 110.667 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.89 -47.96 75.95 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.215 -0.661 . . . . 1.22 109.215 176.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 40.9 tp -57.88 -50.35 73.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.509 -0.769 . . . . 1.1200000000000001 110.265 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.66 -42.38 83.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.474 -0.785 . . . . 1.4299999999999999 111.122 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.42 -51.97 66.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.874 -0.603 . . . . 1.6599999999999999 111.248 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.9 mt -70.51 -34.85 59.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.558 -0.292 . . . . 0.40999999999999998 110.821 -176.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.37 -47.02 86.0 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.878 0.37 . . . . 1.6699999999999999 110.259 174.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.484 ' O ' ' HG3' ' A' ' 84' ' ' GLU . . . -65.16 -35.01 91.19 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.802 -0.636 . . . . 0.54000000000000004 112.522 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.18 -34.52 75.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.701 0.286 . . . . 0.72999999999999998 111.037 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.5 mt -72.37 -33.18 67.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.955 0.407 . . . . 0.87 110.45 176.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.97 -19.82 65.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.86 -0.609 . . . . 1.05 111.521 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 80' ' ' GLY . 44.6 mt-10 -84.48 -3.27 58.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.392 . . . . 2.6699999999999999 110.724 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -105.36 142.5 35.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.184 -0.462 . . . . 2.4500000000000002 110.472 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.217 -0.897 . . . . 3.8199999999999998 110.129 179.525 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SXO . . . . . 0.665 ' H6A' ' HG ' ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 109.798 -0.445 . . . . 5.0199999999999996 109.798 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.42 96.82 6.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.927 0.394 . . . . 2.3199999999999998 110.687 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.5 p -75.68 105.21 6.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.117 -0.492 . . . . 2.1000000000000001 110.398 177.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.5 HD22 HD13 ' A' ' 82' ' ' LEU . 35.5 mt -79.69 172.59 13.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.02 -0.536 . . . . 0.88 110.745 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.654 HD11 HD22 ' A' ' 52' ' ' LEU . 0.8 OUTLIER -80.9 124.4 29.08 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.378 -0.601 . . . . 1.0 109.378 -177.834 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.2 p -102.43 177.89 4.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.739 0.304 . . . . 1.21 111.193 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.5 p -58.61 -56.01 27.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.555 0.693 . . . . 1.3 111.219 175.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.542 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 2.4 m-20 -65.6 -42.73 91.32 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.037 -0.983 . . . . 2.1899999999999999 111.305 -174.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -62.63 -33.86 75.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.654 0.264 . . . . 1.1200000000000001 111.009 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.21 -52.51 54.25 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.376 -0.602 . . . . 1.0800000000000001 109.376 177.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -56.63 -39.61 73.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.296 -0.865 . . . . 2.1699999999999999 111.27 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 77.8 mtp180 -64.21 -39.62 94.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 3.6600000000000001 111.367 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.9 -32.88 72.33 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.823 0.344 . . . . 0.48999999999999999 110.969 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.447 HD13 HG21 ' A' ' 48' ' ' THR . 4.2 mm? -65.17 -53.83 38.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.006 -0.543 . . . . 0.79000000000000004 110.224 174.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.824 HG13 ' HA3' ' A' ' 19' ' ' GLY . 92.3 t -64.95 -40.32 88.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.737 -0.665 . . . . 0.70999999999999996 111.863 -176.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -62.1 -28.26 69.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.972 0.415 . . . . 1.49 111.011 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.2 m -85.76 -42.59 14.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.991 0.424 . . . . 1.25 110.365 174.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -158.76 104.53 1.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.666 -0.697 . . . . 1.6799999999999999 110.435 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.824 ' HA3' HG13 ' A' ' 15' ' ' VAL . . . -127.47 71.39 0.49 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.315 -0.945 . . . . 2.1400000000000001 113.236 -176.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.484 ' O ' ' HB ' ' A' ' 24' ' ' THR . 35.3 tt0 -80.63 119.47 23.3 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.81 -0.441 . . . . 5.4699999999999998 109.81 177.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.8 p -95.02 13.76 24.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.219 0.533 . . . . 4.4699999999999998 112.11 -175.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -79.78 -47.75 14.71 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.518 -0.765 . . . . 4.4000000000000004 111.189 -177.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.94 17.07 1.57 Allowed Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.421 -0.895 . . . . 2.54 112.694 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.484 ' HB ' ' O ' ' A' ' 20' ' ' GLU . 24.5 m -110.6 95.73 5.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.113 0.482 . . . . 3.02 109.868 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -98.51 118.35 35.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.987 -0.551 . . . . 2.7599999999999998 110.612 -176.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -116.55 30.18 7.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.251 -0.431 . . . . 1.6000000000000001 110.745 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -88.17 -8.35 55.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.284 -0.416 . . . . 2.0800000000000001 110.915 -176.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -102.94 -161.42 25.65 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.772 -0.728 . . . . 1.8400000000000001 113.204 -175.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -74.83 77.46 2.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.973 0.416 . . . . 2.77 110.692 -178.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -74.66 -27.94 60.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.319 -0.401 . . . . 0.92000000000000004 111.082 -176.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.489 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 96.3 mt -56.09 -31.56 63.35 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.452 0.538 . . . . 0.78000000000000003 112.452 -178.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -94.23 -9.0 37.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.443 -0.344 . . . . 2.29 111.55 -177.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.9 mt -91.47 138.86 31.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.64 -0.255 . . . . 1.23 110.395 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -73.28 163.56 27.92 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.826 -0.435 . . . . 2.8799999999999999 109.826 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.411 ' HA ' HG12 ' A' ' 38' ' ' ILE . 71.2 m-85 -58.22 -35.53 71.81 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.415 -0.357 . . . . 0.58999999999999997 111.385 178.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -61.15 -33.88 74.13 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.683 -0.235 . . . . 2.6000000000000001 111.553 174.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -81.91 -27.81 33.18 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.77 0.319 . . . . 2.0299999999999998 110.618 -172.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.411 HG12 ' HA ' ' A' ' 35' ' ' PHE . 27.8 pt -88.81 8.17 3.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.949 0.404 . . . . 0.67000000000000004 110.977 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 60.62 47.81 89.35 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.764 -0.653 . . . . 0.62 113.573 175.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -113.75 119.06 36.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.053 0.454 . . . . 0.70999999999999996 111.191 176.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -64.37 147.58 52.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.215 -0.902 . . . . 1.9299999999999999 111.362 178.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.2 p -51.37 -44.62 62.17 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.836 -0.62 . . . . 0.91000000000000003 111.164 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.8 tp -55.2 -51.5 66.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.768 -0.651 . . . . 1.3200000000000001 110.888 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.97 -30.71 71.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.053 -0.522 . . . . 0.46999999999999997 110.95 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.0 tp -68.84 -44.21 73.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.935 -0.575 . . . . 0.75 111.485 -177.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.2 ptt? -68.13 -29.48 68.4 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.523 -0.471 . . . . 1.26 110.151 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -66.95 -39.35 87.26 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.123 0.487 . . . . 2.2000000000000002 110.432 173.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 54.1 m -63.34 -37.1 85.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.598 -0.728 . . . . 0.54000000000000004 110.9 178.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.5 -44.95 85.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.43 . . . . 0.46000000000000002 111.123 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.05 -30.24 70.21 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.444 -0.798 . . . . 0.48999999999999999 110.688 -177.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 40.0 mmt180 -58.28 -55.09 39.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.683 -0.69 . . . . 2.8599999999999999 110.576 178.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.654 HD22 HD11 ' A' ' 5' ' ' LEU . 86.0 mt -61.27 -44.39 97.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.989 -0.551 . . . . 0.56000000000000005 111.127 -174.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.567 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 53.1 mt-10 -60.48 -56.16 24.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.152 -0.476 . . . . 0.51000000000000001 111.109 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.0 t -65.08 -32.46 74.18 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.015 0.436 . . . . 1.4199999999999999 111.401 -177.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 51' ' ' ARG . 20.0 ttt180 -68.16 -40.34 82.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.918 -0.583 . . . . 2.4199999999999999 111.467 -174.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -115.93 4.62 13.86 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.189 0.44 . . . . 1.0800000000000001 112.189 -175.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.77 37.21 83.94 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.888 -0.672 . . . . 0.57999999999999996 112.499 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.567 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 29.2 m -106.95 -170.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.667 0.27 . . . . 0.45000000000000001 110.825 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 p -155.0 126.69 7.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.995 -0.548 . . . . 1.6200000000000001 109.598 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 60.3 mt -91.92 130.31 38.92 Favored Pre-proline 0 C--N 1.318 -0.778 0 N-CA-C 110.044 -0.354 . . . . 0.59999999999999998 110.044 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.563 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 54.4 Cg_exo -52.34 138.41 55.84 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.918 2.412 . . . . 0.81000000000000005 112.933 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -54.4 -53.47 53.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.017 -0.992 . . . . 1.99 112.436 -174.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -78.89 -37.59 39.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.743 0.306 . . . . 2.4399999999999999 111.259 -176.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.563 ' HB ' ' HB2' ' A' ' 61' ' ' PRO . 43.0 t -72.23 -19.79 19.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.775 0.321 . . . . 1.1399999999999999 111.68 -174.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.88 -44.3 94.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.107 0.48 . . . . 0.68000000000000005 111.502 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.39 33.7 5.3 Favored Glycine 0 C--N 1.321 -0.303 0 CA-C-N 115.825 -0.625 . . . . 0.77000000000000002 112.771 -176.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -133.13 9.6 4.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.971 0.415 . . . . 3.6299999999999999 110.854 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.4 m -93.72 129.47 44.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.106 -0.497 . . . . 0.94999999999999996 110.079 176.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -98.32 -44.43 6.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.873 0.368 . . . . 1.75 111.605 -175.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.2 p -117.9 155.49 50.97 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.406 -0.361 . . . . 0.5 111.147 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.489 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 87.6 Cg_exo -48.65 -37.9 35.52 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.284 2.656 . . . . 0.38 113.004 174.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -51.5 -50.93 58.95 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 120.97 0.414 . . . . 3.5600000000000001 110.812 178.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -60.76 -49.42 77.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.414 -0.812 . . . . 2.4300000000000002 110.618 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -56.58 -52.15 65.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.635 -0.711 . . . . 1.22 109.898 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 57.2 tp -59.36 -53.42 58.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.967 -0.561 . . . . 1.1200000000000001 111.313 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -57.22 -42.86 82.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.709 -0.678 . . . . 1.4299999999999999 111.65 -174.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.14 -42.97 99.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.473 -0.33 . . . . 1.6599999999999999 111.248 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.428 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 60.7 mt -67.09 -41.99 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 110.028 -0.36 . . . . 0.40999999999999998 110.028 178.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -59.94 -35.72 75.54 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.389 -0.369 . . . . 1.6699999999999999 110.441 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.43 -38.09 95.32 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.134 -0.555 . . . . 0.54000000000000004 112.069 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.13 -34.23 68.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.939 0.4 . . . . 0.72999999999999998 110.252 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.5 HD13 HD22 ' A' ' 4' ' ' LEU . 95.3 mt -70.61 -37.93 73.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.886 -0.597 . . . . 0.87 110.776 178.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.82 -32.77 73.55 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.02 0.438 . . . . 1.05 110.583 175.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -70.2 -49.64 48.17 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.817 -0.629 . . . . 2.6699999999999999 109.495 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 69.81 -77.46 0.05 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.662 0.986 . . . . 2.4500000000000002 113.662 169.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.484 -0.769 . . . . 3.8199999999999998 111.306 -171.494 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SXO . . . . . 0.55 HN36 ' H30' ' A' ' 87' ' ' SXO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.644 0.259 . . . . 5.0199999999999996 110.535 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.52 159.23 33.7 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.468 -0.333 . . . . 2.3199999999999998 111.189 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.8 t -73.98 106.16 5.55 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.777 0.799 . . . . 2.1000000000000001 110.497 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.2 mt -84.57 166.02 17.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.497 -0.774 . . . . 0.88 111.157 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.767 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 2.8 tt -86.71 122.1 30.15 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 107.724 -1.213 . . . . 1.0 107.724 172.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.86 160.53 15.44 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.416 0.524 . . . . 1.21 112.416 -177.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.62 -51.6 68.07 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 115.547 -0.751 . . . . 1.3 112.908 -175.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -58.58 -44.48 89.82 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.022 0.439 . . . . 2.1899999999999999 111.257 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.29 -33.32 75.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.797 -0.638 . . . . 1.1200000000000001 110.832 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.7 tp -68.69 -44.01 74.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 1.0800000000000001 109.939 174.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -54.99 -43.07 73.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.97 -0.559 . . . . 2.1699999999999999 110.791 176.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -69.68 -33.68 72.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.928 -0.578 . . . . 3.6600000000000001 111.523 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.437 ' HB2' HD21 ' A' ' 52' ' ' LEU . . . -59.88 -45.72 91.58 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.11 0.411 . . . . 0.48999999999999999 112.11 -171.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.607 ' HB2' HD21 ' A' ' 26' ' ' LEU . 3.8 mm? -63.15 -38.88 92.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.895 0.378 . . . . 0.79000000000000004 110.649 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.7 t -69.88 -46.69 73.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.285 -0.416 . . . . 0.70999999999999996 110.668 -178.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -64.82 -31.58 72.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 1.49 111.457 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.5 m -79.52 -39.13 32.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.711 0.291 . . . . 1.25 111.26 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.99 -30.96 68.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.935 0.398 . . . . 1.6799999999999999 110.372 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.28 68.96 1.03 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.775 -0.726 . . . . 2.1400000000000001 112.763 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 61.35 83.86 0.14 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 122.749 0.419 . . . . 5.4699999999999998 110.613 177.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.8 p -141.16 81.44 1.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.389 -0.369 . . . . 4.4699999999999998 111.134 -177.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -87.22 162.79 17.27 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.41 -0.589 . . . . 4.4000000000000004 109.41 174.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.27 -54.48 0.73 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.639 -0.791 . . . . 2.54 112.318 178.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.4 m -61.94 148.09 44.79 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.191 -0.3 . . . . 3.02 110.191 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -70.38 84.08 0.57 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.415 0.626 . . . . 2.7599999999999998 110.703 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.607 HD21 ' HB2' ' A' ' 14' ' ' LEU . 32.5 tp -133.55 -2.45 3.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.785 -1.098 . . . . 1.6000000000000001 109.445 177.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.5 m -83.21 -47.81 11.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.623 -0.717 . . . . 2.0800000000000001 111.103 -172.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -103.27 -30.93 5.18 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.428 -0.891 . . . . 1.8400000000000001 113.051 -175.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -146.59 145.19 30.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.925 0.363 . . . . 2.77 110.161 -174.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -169.9 -29.25 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.449 0.907 . . . . 0.92000000000000004 113.449 -178.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.636 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 48.0 mt -54.47 -33.06 58.99 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.04 1.126 . . . . 0.78000000000000003 114.04 -170.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -102.71 4.42 38.08 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.896 -0.322 . . . . 2.29 111.497 -177.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.1 mt -90.69 130.72 36.66 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.9 0.381 . . . . 1.23 110.612 176.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -70.79 141.12 51.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.375 -0.375 . . . . 2.8799999999999999 110.577 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -54.54 -40.04 68.29 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.905 0.383 . . . . 0.58999999999999997 111.069 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -58.3 -36.92 74.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.845 -0.616 . . . . 2.6000000000000001 111.211 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -85.21 -18.81 32.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.232 -0.44 . . . . 2.0299999999999998 112.061 -173.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.482 HG13 ' HD1' ' A' ' 40' ' ' TYR . 22.8 pt -95.76 11.2 4.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.635 -0.426 . . . . 0.67000000000000004 111.303 177.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.15 49.64 51.62 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.983 -0.553 . . . . 0.62 113.659 174.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.482 ' HD1' HG13 ' A' ' 38' ' ' ILE . 21.2 m-85 -118.15 114.91 23.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 117.084 0.442 . . . . 0.70999999999999996 110.972 176.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.91 153.43 40.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.305 -0.861 . . . . 1.9299999999999999 110.846 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.6 p -53.64 -43.88 69.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.755 -0.657 . . . . 0.91000000000000003 111.611 177.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.414 ' O ' ' HG2' ' A' ' 46' ' ' MET . 53.9 tp -64.08 -46.26 85.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.393 -0.367 . . . . 1.3200000000000001 110.526 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.93 -28.18 69.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.405 0.621 . . . . 0.46999999999999997 110.825 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.494 ' HG ' ' H2A' ' A' ' 87' ' ' SXO . 31.6 tp -70.3 -43.96 69.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.633 -0.712 . . . . 0.75 110.615 178.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.414 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 27.4 ptm -72.12 -27.1 62.41 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.711 0.291 . . . . 1.26 110.438 178.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.59 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 19.0 mm-40 -59.77 -50.45 73.78 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.561 -0.533 . . . . 2.2000000000000002 109.561 172.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.526 HG21 HD13 ' A' ' 14' ' ' LEU . 22.8 m -61.35 -41.54 97.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.501 -0.772 . . . . 0.54000000000000004 110.745 178.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.428 ' HB2' ' H6 ' ' A' ' 87' ' ' SXO . . . -55.81 -49.63 72.69 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.972 -0.558 . . . . 0.46000000000000002 111.963 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.86 -31.54 70.99 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.402 0.62 . . . . 0.48999999999999999 110.73 -175.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.59 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 19.2 mmt180 -65.3 -38.96 91.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.231 -0.895 . . . . 2.8599999999999999 110.417 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.628 HD13 HD11 ' A' ' 5' ' ' LEU . 65.6 mt -81.21 -35.55 31.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.835 -0.62 . . . . 0.56000000000000005 111.283 -177.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -58.9 -43.12 90.97 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.501 -0.555 . . . . 0.51000000000000001 109.501 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.2 m -65.77 -39.81 91.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.723 -0.671 . . . . 1.4199999999999999 111.33 176.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -68.66 -54.34 16.9 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.508 0.558 . . . . 2.4199999999999999 112.508 -176.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.767 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 29.8 m-85 -96.89 -1.2 46.39 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.267 -0.424 . . . . 1.0800000000000001 111.23 -170.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.12 33.43 65.1 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.793 -0.718 . . . . 0.57999999999999996 112.374 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.0 m -106.45 -173.43 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.064 0.459 . . . . 0.45000000000000001 111.09 -177.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.4 m -152.44 122.95 7.28 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 109.313 -0.625 . . . . 1.6200000000000001 109.313 176.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 63.7 mt -93.75 116.47 66.49 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 116.503 -0.317 . . . . 0.59999999999999998 110.153 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -57.79 136.13 73.5 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.064 2.509 . . . . 0.81000000000000005 112.386 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -59.37 -39.35 83.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.82 -0.627 . . . . 1.99 111.682 -175.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -77.15 -39.47 49.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.288 -0.415 . . . . 2.4399999999999999 111.332 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.1 t -73.13 -26.3 22.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.06 0.457 . . . . 1.1399999999999999 110.448 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.429 ' HB1' ' H3A' ' A' ' 87' ' ' SXO . . . -62.98 -42.92 99.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.294 0.568 . . . . 0.68000000000000005 110.823 176.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.66 32.93 4.07 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.485 -0.779 . . . . 0.77000000000000002 113.267 -175.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -145.26 11.69 1.34 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 117.006 0.403 . . . . 3.6299999999999999 111.337 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.4 m -97.98 175.42 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.577 -0.283 . . . . 0.94999999999999996 110.311 176.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.47 -51.74 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.008 0.432 . . . . 1.75 111.287 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.5 p -100.6 142.63 24.99 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.161 -0.472 . . . . 0.5 111.72 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.636 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 79.6 Cg_exo -51.11 -32.16 38.53 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.777 2.985 . . . . 0.38 113.203 176.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -53.25 -55.05 27.63 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 123.358 0.411 . . . . 3.5600000000000001 111.05 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.36 -43.55 98.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.619 -0.718 . . . . 2.4300000000000002 109.679 -177.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 74' ' ' LEU . 1.4 tm? -59.73 -46.55 88.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.523 -0.762 . . . . 1.22 110.137 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.9 tp -60.07 -54.17 49.09 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.465 -0.788 . . . . 1.1200000000000001 111.323 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -70.01 -27.89 65.05 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.911 -0.586 . . . . 1.4299999999999999 111.275 -175.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.6 tp -64.14 -55.63 20.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.483 -0.326 . . . . 1.6599999999999999 111.03 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 61.6 mt -62.08 -46.45 96.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.40999999999999998 110.367 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -66.85 -20.79 65.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 1.6699999999999999 111.032 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.11 -33.6 65.06 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.154 -0.546 . . . . 0.54000000000000004 111.899 177.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.92 -32.11 63.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.339 0.59 . . . . 0.72999999999999998 110.27 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 83.9 mt -86.01 -10.66 54.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.659 -0.7 . . . . 0.87 111.08 -178.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.38 -19.58 66.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.947 0.403 . . . . 1.05 111.548 -178.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -69.0 -19.65 64.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.972 0.415 . . . . 2.6699999999999999 110.298 176.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -112.31 24.95 12.0 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.673 -0.694 . . . . 2.4500000000000002 110.181 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.2 -0.905 . . . . 3.8199999999999998 110.444 176.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SXO . . . . . 0.606 HN36 ' H30' ' A' ' 87' ' ' SXO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.3 mtm . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 120.832 0.348 . . . . 5.0199999999999996 110.371 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.06 163.6 32.43 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.453 -0.573 . . . . 2.3199999999999998 109.453 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 t -136.22 137.94 41.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.208 0.528 . . . . 2.1000000000000001 110.734 -178.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.1 mt -82.67 174.16 11.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.612 -0.722 . . . . 0.88 110.983 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.539 ' HG ' ' HG ' ' A' ' 75' ' ' LEU . 11.2 tp -83.82 121.22 27.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.361 -0.836 . . . . 1.0 108.899 172.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.52 172.93 6.54 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.465 0.543 . . . . 1.21 112.465 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -55.75 -56.79 16.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.371 -0.831 . . . . 1.3 111.967 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -60.95 -38.63 86.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 2.1899999999999999 111.357 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.04 -45.32 95.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.987 -0.551 . . . . 1.1200000000000001 110.927 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.412 HD22 HD12 ' A' ' 75' ' ' LEU . 50.2 tp -63.87 -46.25 85.77 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.968 -0.382 . . . . 1.0800000000000001 109.968 176.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -55.31 -33.76 63.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.077 -0.511 . . . . 2.1699999999999999 111.711 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.604 ' NH2' HG21 ' A' ' 15' ' ' VAL . 4.2 mmp_? -71.19 -33.8 70.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.452 -0.155 . . . . 3.6600000000000001 111.192 177.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.76 91.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.703 0.287 . . . . 0.48999999999999999 111.451 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.468 ' HB3' ' OH ' ' A' ' 40' ' ' TYR . 3.0 mm? -67.25 -24.96 65.86 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.493 0.663 . . . . 0.79000000000000004 110.482 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.64 ' HA ' ' HA2' ' A' ' 19' ' ' GLY . 59.6 t -84.97 -23.56 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.601 -0.727 . . . . 0.70999999999999996 110.362 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.478 ' OE1' ' HD2' ' A' ' 51' ' ' ARG . 41.8 mt-10 -74.8 -34.84 62.47 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.982 -0.554 . . . . 1.49 110.975 175.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.8 p -82.53 -61.73 1.81 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.865 0.364 . . . . 1.25 111.299 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.05 -57.09 2.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.096 0.474 . . . . 1.6799999999999999 110.599 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.64 ' HA2' ' HA ' ' A' ' 15' ' ' VAL . . . 103.89 156.4 24.14 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.717 -0.754 . . . . 2.1400000000000001 112.429 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.04 108.19 3.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.901 0.382 . . . . 5.4699999999999998 110.053 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 p -112.15 -101.13 0.41 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.937 -0.574 . . . . 4.4699999999999998 111.497 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -146.86 159.1 43.94 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.545 -0.539 . . . . 4.4000000000000004 109.545 -177.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.72 -63.88 3.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.765 -0.731 . . . . 2.54 112.381 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.5 t -96.35 91.55 5.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.735 0.779 . . . . 3.02 110.477 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -95.2 134.71 37.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.698 -0.683 . . . . 2.7599999999999998 110.523 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.407 ' N ' HD12 ' A' ' 26' ' ' LEU . 6.7 mp -99.8 8.61 44.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.855 -0.611 . . . . 1.6000000000000001 110.873 -175.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.0 m -81.69 85.26 6.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.032 0.444 . . . . 2.0800000000000001 110.523 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.47 -118.07 1.29 Allowed Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.648 -0.787 . . . . 1.8400000000000001 111.93 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -104.93 150.82 24.57 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.596 -0.52 . . . . 2.77 109.596 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -169.66 -24.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.701 0.286 . . . . 0.92000000000000004 111.123 -174.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.826 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 91.7 mt -56.85 -22.45 36.94 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.047 0.388 . . . . 0.78000000000000003 112.047 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -92.43 -13.39 30.09 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.247 0.546 . . . . 2.29 110.442 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.8 mt -86.12 127.45 34.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.748 -0.66 . . . . 1.23 109.999 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.9 mtt85 -67.6 152.3 45.87 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.358 -0.383 . . . . 2.8799999999999999 110.101 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -54.07 -32.89 56.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.417 -0.356 . . . . 0.58999999999999997 111.147 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.35 -31.12 68.91 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.038 -0.528 . . . . 2.6000000000000001 111.479 175.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -86.28 -33.74 20.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.337 -0.392 . . . . 2.0299999999999998 111.187 -174.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.468 HG13 ' HD1' ' A' ' 40' ' ' TYR . 28.9 pt -88.46 13.94 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.953 0.406 . . . . 0.67000000000000004 111.577 -177.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.56 38.12 61.83 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.734 -0.666 . . . . 0.62 114.275 171.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.468 ' OH ' ' HB3' ' A' ' 14' ' ' LEU . 34.9 m-85 -106.6 119.65 39.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.496 0.648 . . . . 0.70999999999999996 110.941 175.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -77.85 -62.48 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.836 -1.074 . . . . 1.9299999999999999 111.64 -173.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.5 p 174.1 -49.49 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.743 -0.836 . . . . 0.91000000000000003 108.743 -173.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.49 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -64.78 -46.39 82.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.128 -0.942 . . . . 1.3200000000000001 109.295 178.319 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.66 -26.02 68.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.46999999999999997 110.68 177.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.56 ' HG ' ' H8A' ' A' ' 87' ' ' SXO . 35.2 tp -75.37 -46.16 34.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.985 -0.552 . . . . 0.75 110.694 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.0 ptm -68.44 -31.64 71.1 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.64 -0.255 . . . . 1.26 111.333 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 11.2 mm-40 -64.25 -38.61 91.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.077 0.465 . . . . 2.2000000000000002 110.449 176.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.3 m -63.35 -33.9 76.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.737 -0.665 . . . . 0.54000000000000004 111.27 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.434 ' HB2' ' H6 ' ' A' ' 87' ' ' SXO . . . -55.73 -44.81 77.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.46000000000000002 111.488 -178.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.18 -32.54 72.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.055 -0.521 . . . . 0.48999999999999999 110.79 -176.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.478 ' HD2' ' OE1' ' A' ' 16' ' ' GLU . 10.9 mmt180 -66.92 -33.47 75.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.422 -0.808 . . . . 2.8599999999999999 110.854 -178.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.6 mt -83.48 -48.06 10.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.149 -0.478 . . . . 0.56000000000000005 110.619 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.543 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 50.3 mt-10 -58.76 -52.16 66.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.774 -0.648 . . . . 0.51000000000000001 111.374 -176.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.9 t -67.42 -21.64 65.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.291 -0.413 . . . . 1.4199999999999999 111.321 -176.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -82.89 -48.22 10.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.539 -0.301 . . . . 2.4199999999999999 111.265 -176.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -99.07 2.93 46.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.494 -0.321 . . . . 1.0800000000000001 111.494 -174.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.13 34.0 69.77 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.882 -0.675 . . . . 0.57999999999999996 112.401 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.543 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 28.2 m -110.67 -170.57 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.853 0.358 . . . . 0.45000000000000001 111.202 -177.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.456 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 19.4 p -157.78 133.88 9.42 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.011 -0.737 . . . . 1.6200000000000001 109.011 174.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.433 HG22 ' HB2' ' A' ' 65' ' ' ALA . 56.1 mt -95.9 117.37 66.41 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 116.398 -0.365 . . . . 0.59999999999999998 110.863 -175.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 23.8 Cg_exo -64.48 134.77 42.9 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.629 2.219 . . . . 0.81000000000000005 111.754 178.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -62.24 -22.48 66.01 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.081 -0.509 . . . . 1.99 112.263 -174.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -78.01 -50.84 11.33 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.192 0.52 . . . . 2.4399999999999999 110.251 175.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.5 t -70.75 -27.07 29.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.64 -0.709 . . . . 1.1399999999999999 110.852 -174.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.433 ' HB2' HG22 ' A' ' 60' ' ' ILE . . . -61.87 -34.4 75.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.124 0.488 . . . . 0.68000000000000005 111.331 177.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.86 10.49 74.75 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.816 -0.707 . . . . 0.77000000000000002 112.62 -177.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -91.94 -25.4 18.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.722 0.296 . . . . 3.6299999999999999 110.656 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.502 HG21 HD23 ' A' ' 74' ' ' LEU . 34.2 m -95.53 156.85 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.846 0.355 . . . . 0.94999999999999996 111.757 -177.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -135.38 -12.1 2.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.925 -0.58 . . . . 1.75 110.432 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.425 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 21.1 p -125.66 140.5 36.67 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.152 -0.476 . . . . 0.5 110.872 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.495 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 80.2 Cg_exo -51.59 -44.21 45.58 Favored 'Trans proline' 0 N--CA 1.476 0.453 0 C-N-CA 123.948 3.098 . . . . 0.38 114.299 -176.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.826 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 44.8 ttm105 -52.94 -45.99 67.93 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.855 0.359 . . . . 3.5600000000000001 111.723 -176.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.56 -38.66 87.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.893 -0.594 . . . . 2.4300000000000002 110.269 -176.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.502 HD23 HG21 ' A' ' 68' ' ' VAL . 2.9 tm? -65.15 -45.15 86.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.841 -0.618 . . . . 1.22 109.988 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.539 ' HG ' ' HG ' ' A' ' 5' ' ' LEU . 5.5 tt -58.75 -49.75 76.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.71 -0.677 . . . . 1.1200000000000001 110.518 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.53 -34.26 77.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.068 -0.515 . . . . 1.4299999999999999 110.889 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.9 tp -60.19 -53.4 58.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.728 -0.669 . . . . 1.6599999999999999 111.519 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.2 mt -64.38 -37.57 80.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.921 0.391 . . . . 0.40999999999999998 110.989 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -66.16 -26.14 67.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 1.6699999999999999 111.234 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -58.66 -38.88 92.63 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.527 -0.844 . . . . 0.54000000000000004 111.846 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.05 -27.77 61.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.72999999999999998 111.151 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.6 mt -81.64 -36.78 28.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.292 -0.413 . . . . 0.87 110.884 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.23 -28.5 69.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 1.05 111.68 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -91.41 0.45 57.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.473 -0.331 . . . . 2.6699999999999999 111.222 178.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.88 -67.42 0.85 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.845 0.355 . . . . 2.4500000000000002 110.501 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.829 -0.605 . . . . 3.8199999999999998 110.939 -177.533 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SXO . . . . . 0.62 ' H30' HN36 ' A' ' 87' ' ' SXO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.3 mtp . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 109.76 -0.459 . . . . 5.0199999999999996 109.76 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.55 136.13 33.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.963 0.411 . . . . 2.3199999999999998 110.676 -177.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.3 t -110.14 134.87 51.75 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.136 0.493 . . . . 2.1000000000000001 110.943 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.4 mt -81.47 -178.22 6.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.873 -0.603 . . . . 0.88 109.708 175.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.71 HD21 ' HB2' ' A' ' 10' ' ' LEU . 5.4 tt -82.85 121.36 26.84 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.046 -0.724 . . . . 1.0 109.046 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 50.5 p -111.5 167.91 9.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.307 -0.406 . . . . 1.21 110.463 -178.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 p -59.65 -34.27 72.61 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.083 -0.247 . . . . 1.3 111.28 175.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -72.09 -44.09 63.79 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 121.16 -0.216 . . . . 2.1899999999999999 110.646 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.86 -49.72 76.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.388 -0.369 . . . . 1.1200000000000001 110.677 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.71 ' HB2' HD21 ' A' ' 5' ' ' LEU . 50.0 tp -60.75 -46.06 91.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.955 -0.566 . . . . 1.0800000000000001 110.204 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.469 ' O ' HG23 ' A' ' 15' ' ' VAL . 46.0 ttp180 -54.0 -48.58 70.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.858 -0.61 . . . . 2.1699999999999999 110.89 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -68.51 -37.03 79.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.33 -0.396 . . . . 3.6600000000000001 110.939 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.26 -41.54 89.05 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.317 -0.401 . . . . 0.48999999999999999 111.183 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.438 ' HG ' HG21 ' A' ' 48' ' ' THR . 2.5 mt -67.86 -36.11 79.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.855 -0.611 . . . . 0.79000000000000004 111.024 178.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 11' ' ' ARG . 61.3 t -72.68 -37.0 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.70999999999999996 110.789 178.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.27 -33.35 73.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 1.49 110.669 176.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 m -82.8 -54.46 5.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.848 -0.614 . . . . 1.25 110.664 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -124.68 91.34 3.42 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.896 -0.593 . . . . 1.6799999999999999 110.367 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -114.65 84.89 0.38 Allowed Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.684 -0.769 . . . . 2.1400000000000001 112.46 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.6 ' OE2' ' HB3' ' A' ' 22' ' ' ASP . 0.0 OUTLIER -112.35 169.72 8.68 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.038 -0.356 . . . . 5.4699999999999998 110.038 178.842 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.4 m -112.43 55.98 0.67 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.23 0.538 . . . . 4.4699999999999998 111.071 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.6 ' HB3' ' OE2' ' A' ' 20' ' ' GLU . 12.6 t70 -136.55 -62.83 0.64 Allowed 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 116.078 -0.51 . . . . 4.4000000000000004 111.199 177.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.17 9.28 5.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.231 -0.985 . . . . 2.54 113.254 -174.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.2 m -78.82 80.75 5.16 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.887 0.375 . . . . 3.02 111.075 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -120.41 111.97 18.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.008 0.432 . . . . 2.7599999999999998 110.957 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -121.3 37.23 4.39 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.243 -0.651 . . . . 1.6000000000000001 109.243 174.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.4 p -54.11 -67.04 0.29 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.299 -0.864 . . . . 2.0800000000000001 112.691 -173.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.99 -108.26 1.45 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.516 -0.85 . . . . 1.8400000000000001 112.683 -177.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -106.37 148.54 27.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.236 0.541 . . . . 2.77 111.079 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.419 ' HA ' HD23 ' A' ' 33' ' ' LEU . 39.2 p90 -145.96 -4.67 0.63 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.356 -0.838 . . . . 0.92000000000000004 110.281 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.637 ' O ' ' HB ' ' A' ' 70' ' ' THR . 37.0 mt -59.28 -24.22 63.06 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.454 0.538 . . . . 0.78000000000000003 112.454 -174.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -92.53 -16.0 26.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.087 0.47 . . . . 2.29 111.346 -175.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 30' ' ' PHE . 3.5 mm? -88.45 134.69 33.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 1.23 110.894 -177.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -71.54 143.33 49.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.529 -0.305 . . . . 2.8799999999999999 110.703 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -53.69 -39.44 65.14 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.29 -0.414 . . . . 0.58999999999999997 111.258 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -56.47 -33.13 65.65 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.759 -0.655 . . . . 2.6000000000000001 111.477 -178.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.99 -34.66 19.18 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.341 0.497 . . . . 2.0299999999999998 112.341 -174.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.469 HG13 ' HD2' ' A' ' 40' ' ' TYR . 14.9 pt -87.25 24.54 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.705 0.631 . . . . 0.67000000000000004 112.705 -173.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.28 35.88 83.58 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.784 -0.644 . . . . 0.62 114.198 170.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.469 ' HD2' HG13 ' A' ' 38' ' ' ILE . 53.4 m-85 -111.8 110.18 20.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.308 0.575 . . . . 0.70999999999999996 110.859 174.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -78.35 169.31 18.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.072 -0.967 . . . . 1.9299999999999999 110.069 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.972 ' HB2' ' H28' ' A' ' 87' ' ' SXO . 0.0 OUTLIER -52.04 -53.26 44.05 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 112.54 0.57 . . . . 0.91000000000000003 112.54 -175.057 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' A' ' 46' ' ' MET . 38.7 tp -61.95 -46.12 90.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.466 -0.334 . . . . 1.3200000000000001 110.556 -178.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.61 -36.35 80.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.38 -0.373 . . . . 0.46999999999999997 111.075 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.9 tp -67.43 -45.37 76.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.183 -0.462 . . . . 0.75 110.915 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.448 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 4.8 ppp? -75.43 -27.62 59.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.636 0.255 . . . . 1.26 110.858 -178.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -62.17 -41.56 98.44 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.162 0.506 . . . . 2.2000000000000002 110.042 172.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.438 HG21 ' HG ' ' A' ' 14' ' ' LEU . 39.9 m -60.54 -41.85 95.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.596 -0.729 . . . . 0.54000000000000004 110.32 177.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.477 ' HB1' HD12 ' A' ' 60' ' ' ILE . . . -56.58 -42.33 78.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.972 -0.558 . . . . 0.46000000000000002 110.997 177.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.11 -38.46 91.25 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.141 -0.481 . . . . 0.48999999999999999 110.382 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -61.55 -36.42 80.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.698 -0.683 . . . . 2.8599999999999999 110.516 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.8 mt -72.12 -51.02 23.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.99 -0.55 . . . . 0.56000000000000005 110.815 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.582 ' OE2' ' HA ' ' A' ' 59' ' ' SER . 43.0 mt-10 -58.56 -42.61 88.34 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.286 -0.416 . . . . 0.51000000000000001 110.605 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.5 t -65.49 -21.49 66.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.177 -0.465 . . . . 1.4199999999999999 112.038 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -91.11 -47.43 7.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.681 0.277 . . . . 2.4199999999999999 111.376 -176.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.489 ' OH ' ' HA ' ' A' ' 5' ' ' LEU . 75.6 m-85 -95.34 -20.2 19.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.547 -0.297 . . . . 1.0800000000000001 111.733 -173.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.6 32.79 26.63 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.718 -0.754 . . . . 0.57999999999999996 111.812 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 31.0 m -101.54 -173.7 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.798 0.333 . . . . 0.45000000000000001 111.334 -176.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.582 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 8.5 p -148.51 124.93 10.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.645 -0.707 . . . . 1.6200000000000001 109.917 176.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.477 HD12 ' HB1' ' A' ' 49' ' ' ALA . 49.6 mt -94.33 120.73 64.93 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.661 -0.245 . . . . 0.59999999999999998 110.702 -177.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 43.8 Cg_exo -58.56 139.76 91.99 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.195 2.597 . . . . 0.81000000000000005 113.123 -178.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -56.53 -40.55 75.28 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.685 -0.689 . . . . 1.99 111.66 -177.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -79.55 -47.19 15.95 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.385 -0.825 . . . . 2.4399999999999999 111.921 -171.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.8 t -73.34 -28.34 25.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.841 0.353 . . . . 1.1399999999999999 111.205 -175.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.47 ' HB2' HG22 ' A' ' 60' ' ' ILE . . . -58.82 -42.39 89.08 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.41 0.522 . . . . 0.68000000000000005 112.41 -175.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.75 9.82 74.99 Favored Glycine 0 C--N 1.319 -0.365 0 C-N-CA 120.789 -0.719 . . . . 0.77000000000000002 113.085 -175.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -106.28 1.32 25.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.677 0.275 . . . . 3.6299999999999999 111.55 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.3 m -94.15 175.36 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.694 -0.23 . . . . 0.94999999999999996 111.007 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -142.7 -42.5 0.32 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.004 0.431 . . . . 1.75 111.777 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.637 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 61.2 p -104.82 143.82 27.49 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.06 -0.518 . . . . 0.5 111.196 -175.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.503 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 74.9 Cg_exo -52.97 -30.88 50.51 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 123.289 2.659 . . . . 0.38 112.818 176.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.555 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -56.2 -46.49 79.42 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.426 -0.352 . . . . 3.5600000000000001 110.168 178.506 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -64.31 -41.94 96.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.03 -0.532 . . . . 2.4300000000000002 110.943 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.606 HD21 ' H8 ' ' A' ' 87' ' ' SXO . 0.4 OUTLIER -61.18 -48.14 82.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.269 0.557 . . . . 1.22 109.626 179.651 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.508 ' HG ' HD22 ' A' ' 5' ' ' LEU . 10.3 tt -58.64 -48.3 81.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.402 -0.817 . . . . 1.1200000000000001 110.525 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -65.19 -37.9 88.79 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.687 -0.688 . . . . 1.4299999999999999 111.577 -177.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.32 -52.03 66.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.739 0.304 . . . . 1.6599999999999999 111.316 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.2 mt -68.21 -36.06 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.859 0.362 . . . . 0.40999999999999998 110.503 -177.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -64.61 -40.5 95.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.458 . . . . 1.6699999999999999 110.948 177.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.94 -39.35 97.43 Favored Glycine 0 CA--C 1.516 0.124 0 C-N-CA 121.146 -0.55 . . . . 0.54000000000000004 112.78 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.89 -26.6 63.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.903 0.382 . . . . 0.72999999999999998 111.239 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.5 mt -86.13 -29.28 23.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.272 -0.422 . . . . 0.87 111.021 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.75 -41.95 95.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.203 -0.453 . . . . 1.05 111.607 -176.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -92.01 12.85 20.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.901 0.381 . . . . 2.6699999999999999 111.217 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.94 -67.36 0.79 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.471 -0.331 . . . . 2.4500000000000002 111.631 -176.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.593 -0.717 . . . . 3.8199999999999998 110.886 -176.779 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SXO . . . . . 0.972 ' H28' ' HB2' ' A' ' 42' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.535 ' HB3' ' O ' ' A' ' 86' ' ' ALA . 46.1 ttm . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.769 0.319 . . . . 5.0199999999999996 110.33 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.3 119.62 15.71 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.271 -0.422 . . . . 2.3199999999999998 110.243 176.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.35 105.78 5.67 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.855 -0.612 . . . . 2.1000000000000001 111.164 -179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.9 mt -76.5 163.09 27.26 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.396 -0.594 . . . . 0.88 109.396 177.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.597 ' HA ' ' CZ ' ' A' ' 56' ' ' TYR . 6.1 tt -79.71 123.22 27.47 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.186 -0.672 . . . . 1.0 109.186 -177.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.41 148.32 22.9 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.924 -0.58 . . . . 1.21 111.452 -177.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.9 p -58.29 -36.95 74.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.599 -0.728 . . . . 1.3 110.783 177.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.33 -46.7 88.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.453 -0.794 . . . . 2.1899999999999999 110.718 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.08 -44.8 87.72 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.195 -0.457 . . . . 1.1200000000000001 110.983 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.411 ' O ' HD23 ' A' ' 14' ' ' LEU . 37.8 tp -59.63 -42.66 93.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 1.0800000000000001 110.345 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -54.04 -41.59 68.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.032 -0.531 . . . . 2.1699999999999999 110.233 176.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -72.98 -40.32 65.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.074 -0.512 . . . . 3.6600000000000001 111.296 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.66 -38.43 78.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.48999999999999999 111.604 -173.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.664 HD13 HG21 ' A' ' 48' ' ' THR . 4.6 mm? -62.58 -48.21 80.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.853 0.359 . . . . 0.79000000000000004 110.277 177.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.7 t -67.57 -42.83 87.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.70999999999999996 110.79 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.51 -36.98 74.66 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.191 -0.459 . . . . 1.49 111.337 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.542 ' OG ' ' HA ' ' A' ' 48' ' ' THR . 16.3 m -80.3 -33.76 37.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.443 -0.344 . . . . 1.25 111.103 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.84 -47.15 72.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.967 0.413 . . . . 1.6799999999999999 110.578 177.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.1 6.99 78.03 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.756 -0.735 . . . . 2.1400000000000001 112.001 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.766 ' HG3' ' H ' ' A' ' 22' ' ' ASP . 8.3 tp10 -147.16 155.86 42.49 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.133 -0.321 . . . . 5.4699999999999998 110.133 -178.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.9 t -106.4 1.22 25.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.545 0.688 . . . . 4.4699999999999998 110.96 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.766 ' H ' ' HG3' ' A' ' 20' ' ' GLU . 11.9 t70 -86.92 111.18 20.56 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.194 -0.912 . . . . 4.4000000000000004 111.111 -178.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.38 -19.51 48.01 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.592 -0.813 . . . . 2.54 112.483 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.3 p -79.55 71.15 6.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.938 0.399 . . . . 3.02 111.502 -177.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -87.65 89.85 8.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.364 0.602 . . . . 2.7599999999999998 110.005 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.3 mp -111.95 44.56 1.38 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.362 -0.835 . . . . 1.6000000000000001 109.278 176.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.8 m -71.31 92.82 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.333 -0.849 . . . . 2.0800000000000001 111.719 -174.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.6 -72.44 2.68 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 121.096 -0.573 . . . . 1.8400000000000001 112.122 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -103.79 156.19 18.01 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.318 -0.253 . . . . 2.77 110.318 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -178.8 -25.13 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.07 -0.514 . . . . 0.92000000000000004 110.473 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.728 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 87.2 mt -54.47 -23.64 17.03 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.831 -0.622 . . . . 0.78000000000000003 112.116 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -89.81 -18.06 26.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.855 -0.612 . . . . 2.29 111.155 -170.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.9 mt -89.99 152.89 20.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.383 -0.371 . . . . 1.23 110.619 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -69.59 152.41 44.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.602 0.239 . . . . 2.8799999999999999 110.702 175.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -57.55 -41.78 81.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.899 0.381 . . . . 0.58999999999999997 110.557 173.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -60.74 -23.19 64.76 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.964 -0.562 . . . . 2.6000000000000001 111.4 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -85.89 -33.25 21.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.094 0.473 . . . . 2.0299999999999998 109.994 -173.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.483 HG13 ' HD1' ' A' ' 40' ' ' TYR . 13.0 pt -90.31 14.71 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.922 -0.581 . . . . 0.67000000000000004 111.833 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.46 25.72 56.17 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 114.58 0.592 . . . . 0.62 114.58 171.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.483 ' HD1' HG13 ' A' ' 38' ' ' ILE . 85.8 m-85 -111.69 118.84 36.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.586 0.693 . . . . 0.70999999999999996 110.879 178.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -94.95 -172.49 2.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.535 -0.757 . . . . 1.9299999999999999 110.811 -175.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 80.5 p -51.17 -61.18 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 123.406 0.682 . . . . 0.91000000000000003 112.527 -173.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.425 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 57.6 tp -59.54 -51.62 69.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.789 -0.641 . . . . 1.3200000000000001 111.618 -175.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.19 -29.76 70.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.46999999999999997 111.324 -175.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.562 ' HG ' ' H3 ' ' A' ' 87' ' ' SXO . 35.2 tp -62.26 -51.24 68.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.172 -0.467 . . . . 0.75 111.11 -178.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.4 ptm -70.03 -31.76 69.57 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.932 -0.307 . . . . 1.26 110.989 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 50.7 mt-10 -64.92 -39.5 93.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.89 0.376 . . . . 2.2000000000000002 110.044 178.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.664 HG21 HD13 ' A' ' 14' ' ' LEU . 32.9 m -62.16 -42.6 99.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.808 -0.633 . . . . 0.54000000000000004 110.895 176.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.33 -39.13 72.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.032 -0.531 . . . . 0.46000000000000002 111.909 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.47 -30.39 71.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.186 0.517 . . . . 0.48999999999999999 110.967 -177.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.763 ' HE ' ' HA ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -66.79 -36.19 81.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.81 -0.632 . . . . 2.8599999999999999 110.718 -179.248 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.467 HD22 HD11 ' A' ' 5' ' ' LEU . 86.3 mt -69.79 -44.11 70.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.737 -0.665 . . . . 0.56000000000000005 110.279 179.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.538 ' HA ' HG22 ' A' ' 58' ' ' VAL . 51.5 mt-10 -58.58 -49.15 78.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.856 -0.611 . . . . 0.51000000000000001 111.121 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.4 m -62.31 -35.72 79.91 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.404 -0.362 . . . . 1.4199999999999999 111.633 -176.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -75.58 -44.61 42.28 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.268 -0.424 . . . . 2.4199999999999999 111.663 -173.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.597 ' CZ ' ' HA ' ' A' ' 5' ' ' LEU . 93.3 m-85 -98.5 -8.98 25.71 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.043 0.386 . . . . 1.0800000000000001 112.043 -175.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.65 42.98 45.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.674 -0.774 . . . . 0.57999999999999996 112.074 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.538 HG22 ' HA ' ' A' ' 53' ' ' GLU . 28.9 m -112.36 -174.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.739 0.304 . . . . 0.45000000000000001 110.883 -178.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.7 m -143.62 117.8 9.54 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.416 -0.587 . . . . 1.6200000000000001 109.416 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 69.1 mt -91.96 111.94 52.35 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.939 0.4 . . . . 0.59999999999999998 110.854 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 17.5 Cg_exo -66.53 125.81 14.48 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.784 2.323 . . . . 0.81000000000000005 111.671 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -65.2 -7.39 12.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.401 . . . . 1.99 111.403 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -74.98 -55.62 5.58 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.645 -0.502 . . . . 2.4399999999999999 109.645 172.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.494 HG11 HD13 ' A' ' 77' ' ' LEU . 4.0 t -76.71 -20.47 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.869 -0.605 . . . . 1.1399999999999999 110.766 -177.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.84 -28.57 68.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.9 -0.591 . . . . 0.68000000000000005 110.798 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -97.41 12.79 64.86 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.658 -0.782 . . . . 0.77000000000000002 112.002 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.459 ' HD3' ' HA ' ' A' ' 64' ' ' VAL . 79.8 mtp180 -107.67 -6.29 16.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.969 0.414 . . . . 3.6299999999999999 110.776 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.3 m -99.43 167.61 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.289 -0.414 . . . . 0.94999999999999996 110.935 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -147.87 -37.08 0.2 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.341 0.591 . . . . 1.75 109.454 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.5 p -112.4 148.34 38.97 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.834 -0.621 . . . . 0.5 110.809 177.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.728 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 53.2 Cg_exo -55.53 -29.11 68.03 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.118 2.546 . . . . 0.38 112.001 176.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.402 ' NH2' ' HB2' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -53.08 -47.78 68.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.802 -0.635 . . . . 3.5600000000000001 110.164 175.877 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -68.67 -45.1 72.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.78 -0.645 . . . . 2.4300000000000002 110.951 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.49 ' HG ' ' H7A' ' A' ' 87' ' ' SXO . 1.9 tm? -57.26 -45.12 84.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.878 -0.601 . . . . 1.22 110.113 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.8 tp -57.12 -45.81 83.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.458 -0.792 . . . . 1.1200000000000001 110.968 177.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.402 ' HB2' ' NH2' ' A' ' 72' ' ' ARG . 7.9 t70 -69.62 -27.04 64.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.249 0.547 . . . . 1.4299999999999999 110.907 -175.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.494 HD13 HG11 ' A' ' 64' ' ' VAL . 61.7 tp -65.16 -59.4 4.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.798 -0.637 . . . . 1.6599999999999999 110.895 177.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 50.6 mt -67.87 -45.22 84.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.095 -0.502 . . . . 0.40999999999999998 110.913 -175.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -61.87 -36.7 82.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.597 -0.274 . . . . 1.6699999999999999 110.974 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.42 -35.92 91.75 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 121.107 -0.568 . . . . 0.54000000000000004 112.419 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.31 -45.38 55.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.772 0.32 . . . . 0.72999999999999998 110.858 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.1 mt -68.43 -28.58 67.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.87 111.744 -176.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.86 -5.71 18.01 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.197 0.444 . . . . 1.05 112.197 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -81.98 -13.76 56.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.131 0.491 . . . . 2.6699999999999999 109.993 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.89 167.6 9.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 2.4500000000000002 110.367 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.535 ' O ' ' HB3' ' A' ' 1' ' ' MET . . . . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.204 -0.903 . . . . 3.8199999999999998 110.615 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SXO . . . . . 0.562 ' H3 ' ' HG ' ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 mmt . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 110.386 -0.227 . . . . 5.0199999999999996 110.386 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.58 102.11 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.873 0.733 . . . . 2.3199999999999998 112.679 175.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.1 t -83.44 110.59 18.3 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.929 -0.578 . . . . 2.1000000000000001 109.498 174.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 45.0 mt -78.35 -177.91 5.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.027 -0.533 . . . . 0.88 111.227 -177.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.482 HD11 HD22 ' A' ' 52' ' ' LEU . 1.6 tt -81.13 122.94 27.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.661 -0.699 . . . . 1.0 109.512 -177.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.447 ' H ' ' HB2' ' A' ' 9' ' ' ASP . 41.6 p -104.39 171.06 7.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.691 0.282 . . . . 1.21 111.063 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p -62.41 -36.16 81.48 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.825 -0.17 . . . . 1.3 111.34 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -71.38 -37.33 71.61 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.067 0.461 . . . . 2.1899999999999999 110.243 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.447 ' HB2' ' H ' ' A' ' 6' ' ' THR . 1.6 m-20 -58.5 -45.47 88.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.638 -0.71 . . . . 1.1200000000000001 110.172 174.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.5 tp -68.61 -39.54 80.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.528 -0.76 . . . . 1.0800000000000001 110.081 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.0 ttp85 -53.41 -51.51 62.36 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.205 -0.452 . . . . 2.1699999999999999 110.614 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.477 ' HB3' ' OE1' ' A' ' 16' ' ' GLU . 17.3 mtp180 -61.83 -41.78 98.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.869 -0.605 . . . . 3.6600000000000001 111.344 178.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.19 -38.05 85.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.48999999999999999 112.08 -173.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.481 HD13 HG21 ' A' ' 48' ' ' THR . 4.5 mm? -72.86 -49.27 31.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.662 -0.245 . . . . 0.79000000000000004 111.009 178.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.02 -52.09 63.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 120.813 0.34 . . . . 0.70999999999999996 111.651 -176.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.477 ' OE1' ' HB3' ' A' ' 12' ' ' ARG . 44.6 mt-10 -68.17 -23.32 64.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.335 -0.393 . . . . 1.49 111.994 -177.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -83.56 -29.51 27.77 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.957 -0.297 . . . . 1.25 110.528 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.38 -62.17 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.358 . . . . 1.6799999999999999 110.86 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.92 69.71 0.37 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.453 -0.879 . . . . 2.1400000000000001 112.615 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 64.47 87.43 0.11 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.415 0.626 . . . . 5.4699999999999998 111.595 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.401 HG22 ' HB ' ' A' ' 24' ' ' THR . 1.9 m -87.79 104.73 16.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.86 -0.609 . . . . 4.4699999999999998 110.287 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -91.65 114.63 27.21 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.801 -0.636 . . . . 4.4000000000000004 110.654 -176.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.51 24.63 20.74 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.931 -0.652 . . . . 2.54 112.727 177.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.401 ' HB ' HG22 ' A' ' 21' ' ' THR . 23.3 m -142.25 100.79 3.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.093 0.473 . . . . 3.02 110.686 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -84.18 120.15 25.85 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.157 -0.474 . . . . 2.7599999999999998 110.906 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -118.78 26.53 9.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.511 -0.768 . . . . 1.6000000000000001 109.513 174.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 t -95.31 -25.92 16.13 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.729 -0.669 . . . . 2.0800000000000001 109.923 -177.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.02 -166.43 28.37 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.626 -0.797 . . . . 1.8400000000000001 112.112 175.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -78.66 87.14 4.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.178 0.513 . . . . 2.77 109.898 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -92.55 2.36 56.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.287 -0.415 . . . . 0.92000000000000004 111.883 -173.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.847 ' HB3' ' HB2' ' A' ' 72' ' ' ARG . 23.8 mt -56.4 -23.97 41.66 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.878 0.695 . . . . 0.78000000000000003 112.878 -177.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -93.0 -11.35 33.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.936 0.398 . . . . 2.29 111.467 -177.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.8 mt -87.33 113.01 22.67 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.049 -0.523 . . . . 1.23 110.213 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.501 ' HD2' ' OD2' ' A' ' 69' ' ' ASP . 23.1 mtm180 -67.65 147.92 52.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.405 -0.361 . . . . 2.8799999999999999 110.673 -175.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -53.07 -43.31 66.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.58999999999999997 110.772 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -54.26 -37.52 64.77 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.768 -0.651 . . . . 2.6000000000000001 112.08 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -85.0 -27.7 26.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.644 -0.253 . . . . 2.0299999999999998 111.106 -173.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.484 HG12 ' O ' ' A' ' 34' ' ' ARG . 17.3 pt -93.97 18.64 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.884 0.373 . . . . 0.67000000000000004 111.849 -178.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.64 -0.28 89.48 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 121.132 -0.556 . . . . 0.62 113.848 171.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.469 ' HD2' HG13 ' A' ' 38' ' ' ILE . 56.8 m-85 -89.35 98.71 11.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.441 -0.447 . . . . 0.70999999999999996 110.839 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -83.78 178.65 7.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.496 -0.774 . . . . 1.9299999999999999 110.093 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.7 p -51.16 -45.52 61.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.611 -0.722 . . . . 0.91000000000000003 111.841 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.596 ' O ' ' HG3' ' A' ' 46' ' ' MET . 51.1 tp -66.73 -48.5 68.97 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 116.499 -0.319 . . . . 1.3200000000000001 110.694 -177.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.27 77.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.332 0.587 . . . . 0.46999999999999997 110.702 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.858 ' HG ' ' H5 ' ' A' ' 87' ' ' SXO . 46.8 tp -68.9 -46.9 67.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.892 -0.594 . . . . 0.75 111.118 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.596 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 4.4 ppp? -66.24 -31.69 72.65 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.628 -0.26 . . . . 1.26 110.918 -177.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -62.23 -46.36 89.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.621 0.724 . . . . 2.2000000000000002 110.032 174.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.481 HG21 HD13 ' A' ' 14' ' ' LEU . 22.6 m -66.07 -19.7 65.93 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.133 -0.939 . . . . 0.54000000000000004 112.038 -178.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.472 ' HB2' ' H7A' ' A' ' 87' ' ' SXO . . . -57.42 -41.54 80.59 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.067 0.461 . . . . 0.46000000000000002 111.344 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.49 -29.92 70.28 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.637 -0.711 . . . . 0.48999999999999999 110.817 -177.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.594 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 39.4 mmt180 -62.4 -39.23 92.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.201 -0.908 . . . . 2.8599999999999999 110.844 -176.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.482 HD22 HD11 ' A' ' 5' ' ' LEU . 76.8 mt -83.24 -46.26 12.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.068 -0.515 . . . . 0.56000000000000005 111.305 -176.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.469 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 55.4 mt-10 -57.41 -53.3 59.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.337 -0.392 . . . . 0.51000000000000001 111.622 -177.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.5 t -64.53 -35.48 81.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.778 0.323 . . . . 1.4199999999999999 111.146 -178.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.594 ' HB2' ' O ' ' A' ' 51' ' ' ARG . 50.6 ttt180 -64.05 -51.53 63.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 2.4199999999999999 111.431 -173.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.467 ' CZ ' ' HG ' ' A' ' 5' ' ' LEU . 58.5 m-85 -98.18 -14.94 20.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.532 -0.304 . . . . 1.0800000000000001 111.641 -174.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.65 34.82 10.99 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.81 -0.71 . . . . 0.57999999999999996 111.927 -178.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.469 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 32.9 m -106.5 -169.42 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.672 0.272 . . . . 0.45000000000000001 110.7 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.8 t -157.35 135.71 11.22 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.124 -0.695 . . . . 1.6200000000000001 109.124 172.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 43.7 mt -96.34 122.26 58.12 Favored Pre-proline 0 C--N 1.317 -0.817 0 CA-C-N 116.361 -0.382 . . . . 0.59999999999999998 110.358 -177.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.434 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 76.7 Cg_exo -51.55 133.08 42.84 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.868 2.379 . . . . 0.81000000000000005 112.036 178.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.15 -50.27 69.72 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.834 -0.621 . . . . 1.99 111.859 -171.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -79.01 -38.08 37.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.212 -0.449 . . . . 2.4399999999999999 111.427 -174.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.434 ' HB ' ' HB2' ' A' ' 61' ' ' PRO . 42.7 t -72.36 -22.87 20.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.081 0.467 . . . . 1.1399999999999999 111.099 -176.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.601 ' HB1' ' H4 ' ' A' ' 87' ' ' SXO . . . -61.27 -29.47 69.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.137 -0.483 . . . . 0.68000000000000005 111.479 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -105.01 21.68 35.29 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 121.054 -0.593 . . . . 0.77000000000000002 112.049 -177.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.597 ' HA ' ' HE ' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -99.95 -12.73 19.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.095 0.474 . . . . 3.6299999999999999 111.003 -179.513 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.569 HG21 HD23 ' A' ' 74' ' ' LEU . 35.2 m -89.7 172.88 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.387 -0.369 . . . . 0.94999999999999996 111.214 -176.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.501 ' OD2' ' HD2' ' A' ' 34' ' ' ARG . 19.2 t70 -143.84 -45.32 0.27 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.958 -0.565 . . . . 1.75 110.322 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.9 p -104.12 150.49 38.39 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.021 -0.536 . . . . 0.5 111.399 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.473 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 50.8 Cg_exo -56.05 -33.89 90.98 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.183 2.588 . . . . 0.38 112.748 178.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.847 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . 45.4 ttm180 -56.36 -46.79 79.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.341 -0.39 . . . . 3.5600000000000001 110.776 177.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -65.04 -41.87 94.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.094 -0.503 . . . . 2.4300000000000002 110.541 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.569 HD23 HG21 ' A' ' 68' ' ' VAL . 2.5 tm? -60.22 -50.52 73.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.832 -0.622 . . . . 1.22 109.96 178.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 46.3 tp -59.52 -53.09 62.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.96 -0.564 . . . . 1.1200000000000001 110.919 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -62.19 -34.82 77.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 1.4299999999999999 111.359 -174.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -63.7 -54.42 35.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.813 0.34 . . . . 1.6599999999999999 110.249 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 66.1 mt -67.68 -39.26 81.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.038 0.447 . . . . 0.40999999999999998 110.845 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -63.13 -43.6 97.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.103 -0.499 . . . . 1.6699999999999999 110.018 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.4 -32.79 80.2 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.654 -0.703 . . . . 0.54000000000000004 112.492 178.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.28 -38.37 84.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.956 0.408 . . . . 0.72999999999999998 110.031 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.417 HD21 ' CG1' ' A' ' 58' ' ' VAL . 91.1 mt -70.63 -34.26 71.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.487 -0.778 . . . . 0.87 110.6 178.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.17 -18.97 65.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.015 -0.539 . . . . 1.05 111.57 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -108.4 13.55 25.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.864 0.364 . . . . 2.6699999999999999 110.949 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -124.36 161.57 25.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.862 0.363 . . . . 2.4500000000000002 111.238 -177.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.697 -0.668 . . . . 3.8199999999999998 110.372 178.53 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SXO . . . . . 0.858 ' H5 ' ' HG ' ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.8 mtp . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 109.822 -0.436 . . . . 5.0199999999999996 109.822 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.552 ' HB2' ' HB1' ' A' ' 86' ' ' ALA . . . -101.82 148.87 24.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.283 -0.417 . . . . 2.3199999999999998 110.588 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.3 p -84.14 103.41 13.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.829 -0.434 . . . . 2.1000000000000001 109.829 176.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.7 mt -84.94 164.96 18.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.821 -0.627 . . . . 0.88 110.774 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.615 ' HG ' ' HG ' ' A' ' 75' ' ' LEU . 15.5 tp -83.93 121.04 26.83 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.631 -0.877 . . . . 1.0 108.631 173.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.463 ' H ' ' HB2' ' A' ' 9' ' ' ASP . 73.2 p -114.49 -179.41 3.62 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.471 -0.492 . . . . 1.21 111.361 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.584 HG22 HD11 ' A' ' 31' ' ' LEU . 2.9 p -56.82 -57.01 14.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.533 -0.758 . . . . 1.3 111.267 177.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.464 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 20.3 m-20 -66.32 -27.14 67.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.926 -0.579 . . . . 2.1899999999999999 111.631 -177.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.463 ' HB2' ' H ' ' A' ' 6' ' ' THR . 22.6 m-20 -64.61 -53.22 51.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.774 0.321 . . . . 1.1200000000000001 110.569 174.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.6 tp -61.26 -39.18 89.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.65 0.738 . . . . 1.0800000000000001 109.338 176.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.496 HH21 ' HA ' ' A' ' 27' ' ' SER . 68.5 ttt180 -53.33 -34.71 58.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.567 -1.197 . . . . 2.1699999999999999 110.969 175.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.804 ' HA ' ' HE ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -82.01 -42.86 18.75 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.543 -0.299 . . . . 3.6600000000000001 111.597 177.019 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.66 91.44 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.6 0.593 . . . . 0.48999999999999999 112.6 -171.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.454 HD12 ' CE1' ' A' ' 40' ' ' TYR . 4.2 mm? -63.07 -38.39 91.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.979 0.418 . . . . 0.79000000000000004 110.266 177.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.2 t -68.59 -35.57 70.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.885 -0.598 . . . . 0.70999999999999996 110.74 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.455 ' CD ' HH21 ' A' ' 51' ' ' ARG . 48.0 mt-10 -57.64 -43.02 84.55 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.998 0.428 . . . . 1.49 110.813 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.9 m -82.32 -30.18 30.63 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.917 -0.583 . . . . 1.25 111.548 -176.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.51 -51.07 7.66 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.85 0.315 . . . . 1.6799999999999999 111.85 -175.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 68.53 24.73 75.16 Favored Glycine 0 C--N 1.329 0.173 0 C-N-CA 120.349 -0.929 . . . . 2.1400000000000001 111.798 -174.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -86.52 140.93 29.45 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.904 0.383 . . . . 5.4699999999999998 110.12 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.2 m -132.19 4.95 4.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.396 0.617 . . . . 4.4699999999999998 111.009 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -104.51 -61.07 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.028 0.442 . . . . 4.4000000000000004 110.263 178.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.65 -138.67 10.26 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.664 -0.698 . . . . 2.54 112.143 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.3 p 48.08 64.86 1.48 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.276 0.56 . . . . 3.02 111.529 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -74.23 88.51 2.0 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.675 0.75 . . . . 2.7599999999999998 110.901 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.7 mp -98.1 65.11 1.71 Allowed 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.839 -0.8 . . . . 1.6000000000000001 108.839 173.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.496 ' HA ' HH21 ' A' ' 11' ' ' ARG . 7.7 t -124.72 -48.06 1.8 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.51 -0.768 . . . . 2.0800000000000001 110.24 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.78 -141.45 5.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 1.8400000000000001 112.633 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -84.15 87.08 7.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.543 0.687 . . . . 2.77 111.038 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -92.34 -24.87 18.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.583 -0.735 . . . . 0.92000000000000004 111.616 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.584 HD11 HG22 ' A' ' 7' ' ' THR . 62.5 mt -56.75 -28.19 60.72 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.529 0.566 . . . . 0.78000000000000003 112.529 -178.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -94.13 -5.62 46.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.104 0.478 . . . . 2.29 110.691 -174.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.5 mt -91.22 127.87 36.82 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.815 -0.439 . . . . 1.23 109.815 177.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.478 HH11 ' HD2' ' A' ' 34' ' ' ARG . 34.7 mtm105 -69.95 153.86 42.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.801 -0.181 . . . . 2.8799999999999999 110.836 -174.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -54.28 -52.26 61.99 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.391 0.515 . . . . 0.58999999999999997 112.391 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -62.7 -21.29 65.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.001 0.429 . . . . 2.6000000000000001 111.216 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.418 ' HB3' ' O ' ' A' ' 34' ' ' ARG . 9.6 t70 -82.19 -34.68 28.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.058 -0.519 . . . . 2.0299999999999998 110.337 -176.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.448 HG13 ' HD2' ' A' ' 40' ' ' TYR . 7.3 pt -89.07 5.97 4.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.273 -0.422 . . . . 0.67000000000000004 111.312 177.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.17 44.98 42.38 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.953 -0.567 . . . . 0.62 113.426 174.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.454 ' CE1' HD12 ' A' ' 14' ' ' LEU . 24.6 m-85 -111.43 120.45 42.2 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 117.124 0.462 . . . . 0.70999999999999996 110.968 175.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -76.42 162.86 27.5 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.426 -0.806 . . . . 1.9299999999999999 111.094 -177.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.4 p -50.98 -50.57 58.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.466 -0.788 . . . . 0.91000000000000003 110.621 174.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.46 ' O ' ' HG2' ' A' ' 46' ' ' MET . 56.3 tp -54.37 -53.38 54.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.003 -0.998 . . . . 1.3200000000000001 111.175 179.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.26 -35.91 81.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.341 -0.39 . . . . 0.46999999999999997 111.283 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.76 ' HG ' ' H6 ' ' A' ' 87' ' ' SXO . 34.2 tp -69.01 -39.65 79.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.059 -0.519 . . . . 0.75 110.836 -178.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.46 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 11.5 ptt? -69.81 -34.84 74.24 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.795 0.331 . . . . 1.26 110.295 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 5.6 mm-40 -64.06 -40.93 97.36 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.913 0.387 . . . . 2.2000000000000002 110.032 176.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.1 m -61.81 -43.69 98.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.671 -0.695 . . . . 0.54000000000000004 110.599 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.588 ' HB1' HD12 ' A' ' 60' ' ' ILE . . . -56.88 -43.71 81.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.97 -0.559 . . . . 0.46000000000000002 111.062 177.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.99 -36.12 80.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.988 -0.551 . . . . 0.48999999999999999 110.43 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 13.6 mmm180 -59.09 -46.78 87.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.573 -0.739 . . . . 2.8599999999999999 109.73 176.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.0 mt -65.1 -46.07 82.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.827 -0.624 . . . . 0.56000000000000005 111.231 -178.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.52 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 51.8 mt-10 -55.28 -60.44 3.4 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.23 -0.441 . . . . 0.51000000000000001 111.627 -177.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.7 t -68.13 -21.79 64.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.404 -0.362 . . . . 1.4199999999999999 111.638 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -77.67 -47.13 19.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.977 0.418 . . . . 2.4199999999999999 111.234 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -94.97 -15.32 23.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.274 -0.421 . . . . 1.0800000000000001 111.405 -175.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.44 47.51 5.4 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.613 -0.803 . . . . 0.57999999999999996 111.512 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.52 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 31.8 m -128.58 -169.24 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.496 -0.352 . . . . 0.45000000000000001 110.677 -177.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.9 t -158.93 135.61 9.44 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.137 -0.69 . . . . 1.6200000000000001 109.137 173.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.588 HD12 ' HB1' ' A' ' 49' ' ' ALA . 50.6 mt -96.14 124.47 51.59 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 116.32 -0.4 . . . . 0.59999999999999998 110.127 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 24.2 Cg_exo -63.36 145.35 92.61 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.873 2.382 . . . . 0.81000000000000005 112.417 -177.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.53 -40.32 78.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.31 -0.859 . . . . 1.99 111.739 -175.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -84.36 -45.26 12.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.256 -0.429 . . . . 2.4399999999999999 111.501 -175.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.2 t -70.7 -13.41 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 1.1399999999999999 111.061 -173.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.92 -36.23 80.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.559 0.695 . . . . 0.68000000000000005 111.039 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.61 49.02 2.07 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.671 -0.695 . . . . 0.77000000000000002 112.275 -177.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -134.18 14.98 3.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.928 0.394 . . . . 3.6299999999999999 110.801 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.6 m -137.59 151.38 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.94999999999999996 110.163 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -136.08 -5.17 2.13 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.081 -0.248 . . . . 1.75 111.219 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 64.2 p -126.58 147.76 61.85 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.455 -0.339 . . . . 0.5 110.68 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.43 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 50.8 Cg_exo -56.41 -34.36 94.29 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.276 2.651 . . . . 0.38 112.273 177.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.41 -45.45 72.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.631 -0.713 . . . . 3.5600000000000001 110.443 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -65.89 -48.58 71.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.126 -0.488 . . . . 2.4300000000000002 110.857 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.94 -52.04 66.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.675 -0.693 . . . . 1.22 110.239 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.615 ' HG ' ' HG ' ' A' ' 5' ' ' LEU . 3.7 tt -59.55 -44.09 93.36 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.724 -0.671 . . . . 1.1200000000000001 110.767 -178.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -65.45 -44.54 86.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.959 -0.564 . . . . 1.4299999999999999 111.751 -177.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.6 tp -61.41 -47.4 85.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.894 -0.594 . . . . 1.6599999999999999 111.916 -173.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.6 mt -69.57 -28.32 37.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.798 0.333 . . . . 0.40999999999999998 111.019 -177.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -68.13 -36.72 80.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.373 . . . . 1.6699999999999999 110.998 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -59.69 -38.4 93.76 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.107 -0.568 . . . . 0.54000000000000004 112.127 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.44 -40.48 64.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.021 0.438 . . . . 0.72999999999999998 111.313 -178.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.33 -35.6 80.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.195 -0.457 . . . . 0.87 110.985 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.35 -7.09 28.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.987 -0.551 . . . . 1.05 112.057 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -93.05 -37.7 12.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.702 0.287 . . . . 2.6699999999999999 111.533 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -124.72 87.35 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.928 0.344 . . . . 2.4500000000000002 111.928 -174.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.552 ' HB1' ' HB2' ' A' ' 2' ' ' ALA . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.305 -0.855 . . . . 3.8199999999999998 110.449 178.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SXO . . . . . 0.76 ' H6 ' ' HG ' ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.7 mmm . . . . . 0 N--CA 1.48 1.041 0 CA-C-O 120.688 0.28 . . . . 5.0199999999999996 110.374 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.92 106.05 7.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.94 0.4 . . . . 2.3199999999999998 110.324 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.46 126.0 51.16 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.844 -0.616 . . . . 2.1000000000000001 111.186 -177.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.1 mt -79.66 -175.89 5.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.03 -0.532 . . . . 0.88 110.42 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.613 HD21 ' HB2' ' A' ' 10' ' ' LEU . 7.6 tt -78.05 123.49 26.91 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.205 -0.665 . . . . 1.0 109.205 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.4 p -100.08 164.87 11.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.198 -0.455 . . . . 1.21 111.409 -175.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.487 HG22 HD11 ' A' ' 31' ' ' LEU . 6.6 p -56.31 -49.26 74.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.718 -0.673 . . . . 1.3 110.947 175.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.496 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 3.5 m-20 -66.88 -44.15 81.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.438 -0.801 . . . . 2.1899999999999999 111.398 -175.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.57 -37.67 84.71 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.014 -0.274 . . . . 1.1200000000000001 110.851 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.613 ' HB2' HD21 ' A' ' 5' ' ' LEU . 59.1 tp -65.16 -51.79 59.0 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.765 -0.458 . . . . 1.0800000000000001 109.765 175.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -55.97 -47.76 77.06 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.82 -0.627 . . . . 2.1699999999999999 112.024 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.534 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 15.0 ptm180 -67.46 -28.86 68.23 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 121.173 -0.211 . . . . 3.6600000000000001 111.504 -177.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.88 -35.76 79.26 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.743 0.306 . . . . 0.48999999999999999 111.133 -177.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.692 HD13 HG21 ' A' ' 48' ' ' THR . 4.1 mm? -63.54 -43.88 95.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.79000000000000004 110.373 178.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.0 t -71.73 -34.26 51.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.926 -0.579 . . . . 0.70999999999999996 111.079 -177.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 45.3 mt-10 -67.51 -35.65 79.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.294 -0.412 . . . . 1.49 111.321 -177.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.8 m -83.7 -17.64 40.64 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.933 -0.307 . . . . 1.25 111.152 175.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.58 -42.75 41.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.457 -0.338 . . . . 1.6799999999999999 110.816 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.17 61.52 2.63 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.841 -0.695 . . . . 2.1400000000000001 112.611 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 69.72 131.55 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.725 0.774 . . . . 5.4699999999999998 111.905 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.8 p -130.69 -173.22 3.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.518 -0.765 . . . . 4.4699999999999998 110.268 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -122.47 -51.9 1.95 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.63 0.252 . . . . 4.4000000000000004 110.988 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.71 1.5 15.49 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.501 -0.857 . . . . 2.54 112.988 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.0 m -76.46 78.06 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.211 0.529 . . . . 3.02 110.515 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -100.44 128.82 46.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.821 -0.627 . . . . 2.7599999999999998 110.133 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.8 mt -111.75 22.17 15.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.319 -0.4 . . . . 1.6000000000000001 110.994 -176.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.8 t -80.34 98.94 7.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.325 0.583 . . . . 2.0800000000000001 109.971 176.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 154.32 -149.54 20.93 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.297 -0.865 . . . . 1.8400000000000001 111.333 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -87.34 69.52 9.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.094 0.473 . . . . 2.77 110.163 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.436 ' O ' ' HG2' ' A' ' 71' ' ' PRO . 37.6 p90 -72.96 -31.3 64.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.005 -0.543 . . . . 0.92000000000000004 110.433 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.74 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 95.6 mt -58.23 -21.23 47.25 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.972 -0.558 . . . . 0.78000000000000003 111.944 177.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -94.47 -19.61 20.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.07 0.462 . . . . 2.29 110.6 -176.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.9 mt -90.67 131.61 36.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.993 -0.549 . . . . 1.23 111.235 -176.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -66.43 143.68 56.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.751 -0.204 . . . . 2.8799999999999999 111.291 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -53.55 -42.21 67.26 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.346 -0.388 . . . . 0.58999999999999997 111.224 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -54.42 -33.14 58.81 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.683 -0.69 . . . . 2.6000000000000001 111.625 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -89.74 -27.38 20.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.802 0.334 . . . . 2.0299999999999998 111.406 -173.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.504 HG13 ' HD2' ' A' ' 40' ' ' TYR . 25.5 pt -87.36 19.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.996 0.427 . . . . 0.67000000000000004 111.54 -178.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.44 21.73 59.8 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.637 -0.792 . . . . 0.62 113.5 172.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.504 ' HD2' HG13 ' A' ' 38' ' ' ILE . 76.1 m-85 -116.21 98.86 6.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.262 0.554 . . . . 0.70999999999999996 110.803 177.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -80.13 -179.74 7.2 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.87 -1.059 . . . . 1.9299999999999999 109.911 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.5 p -50.93 -49.88 58.82 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 122.87 0.468 . . . . 0.91000000000000003 111.706 -177.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.92 -51.39 69.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.816 -0.629 . . . . 1.3200000000000001 111.258 -178.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.1 -37.82 88.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.15 0.5 . . . . 0.46999999999999997 111.007 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.732 ' HG ' ' H4A' ' A' ' 87' ' ' SXO . 41.1 tp -63.5 -46.98 83.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.773 -0.648 . . . . 0.75 111.374 -178.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.1 ptm -65.31 -38.59 90.65 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 121.014 -0.274 . . . . 1.26 111.328 -177.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -66.36 -31.57 72.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.132 0.491 . . . . 2.2000000000000002 110.826 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.692 HG21 HD13 ' A' ' 14' ' ' LEU . 43.4 m -67.16 -27.44 67.3 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.237 -0.438 . . . . 0.54000000000000004 111.544 178.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.94 -35.82 71.66 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.066 0.395 . . . . 0.46000000000000002 112.066 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.99 -26.52 68.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.108 -0.496 . . . . 0.48999999999999999 111.066 -175.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -66.53 -35.65 80.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.686 -0.688 . . . . 2.8599999999999999 111.454 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 68.6 mt -83.23 -45.33 13.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.111 0.481 . . . . 0.56000000000000005 110.905 -176.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.422 ' OE1' ' HA ' ' A' ' 59' ' ' SER . 38.7 mt-10 -56.58 -55.44 33.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.472 -0.785 . . . . 0.51000000000000001 111.559 -178.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 55.4 p -66.83 -22.75 65.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 1.4199999999999999 111.738 -175.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -80.34 -51.85 8.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.306 -0.406 . . . . 2.4199999999999999 111.17 -175.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.571 ' CZ ' ' HA ' ' A' ' 5' ' ' LEU . 93.5 m-85 -94.69 -7.49 40.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.613 0.244 . . . . 1.0800000000000001 111.562 -175.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.85 47.17 20.7 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.514 -0.85 . . . . 0.57999999999999996 111.131 -176.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.8 m -124.39 -171.76 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.461 -0.369 . . . . 0.45000000000000001 110.18 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.422 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . 8.6 t -153.97 135.55 14.33 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.149 -0.686 . . . . 1.6200000000000001 109.149 173.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 70.6 mt -93.42 118.15 67.53 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 116.074 -0.512 . . . . 0.59999999999999998 109.965 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.44 127.63 26.07 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.871 2.381 . . . . 0.81000000000000005 112.286 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.3 p-10 -59.77 -34.3 72.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.54 -0.754 . . . . 1.99 112.379 -174.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -77.42 -44.95 27.36 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.767 0.318 . . . . 2.4399999999999999 110.464 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 44.5 t -71.19 -22.06 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.13 -0.486 . . . . 1.1399999999999999 110.54 -176.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.499 ' HB1' ' H3A' ' A' ' 87' ' ' SXO . . . -62.73 -23.42 67.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.961 0.41 . . . . 0.68000000000000005 110.974 176.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.55 -3.34 62.85 Favored Glycine 0 C--O 1.228 -0.254 0 C-N-CA 121.0 -0.619 . . . . 0.77000000000000002 112.159 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.42 -11.98 24.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.846 0.355 . . . . 3.6299999999999999 110.727 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.6 m -89.56 158.88 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.708 -0.478 . . . . 0.94999999999999996 109.708 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -142.68 -47.15 0.32 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.082 0.468 . . . . 1.75 110.901 -176.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.9 p -103.25 150.13 37.63 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.018 -0.537 . . . . 0.5 110.964 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.74 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 53.2 Cg_exo -55.54 -32.75 84.1 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.132 2.555 . . . . 0.38 112.305 177.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -53.46 -52.49 59.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.011 -0.54 . . . . 3.5600000000000001 110.491 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.73 -40.04 90.9 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.895 -0.593 . . . . 2.4300000000000002 110.625 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.56 -48.56 78.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.924 -0.58 . . . . 1.22 110.205 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.538 ' HG ' HD22 ' A' ' 5' ' ' LEU . 5.4 tt -61.05 -51.17 70.33 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.879 -0.6 . . . . 1.1200000000000001 109.966 178.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -56.23 -42.06 76.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.241 -0.436 . . . . 1.4299999999999999 111.564 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.74 -54.0 48.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 1.6599999999999999 111.433 -177.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 43.8 mt -68.51 -33.11 58.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.375 -0.375 . . . . 0.40999999999999998 111.034 -176.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.48 -44.36 74.94 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.859 -0.336 . . . . 1.6699999999999999 110.23 176.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.16 -33.51 87.44 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.203 -0.522 . . . . 0.54000000000000004 112.61 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.3 -39.31 78.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.72999999999999998 110.557 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 87.3 mt -74.19 -37.9 63.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.031 -0.531 . . . . 0.87 111.514 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.1 -7.42 22.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 1.05 111.993 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -88.33 -9.59 52.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.099 0.476 . . . . 2.6699999999999999 110.493 -178.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -118.43 161.73 19.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.011 -0.54 . . . . 2.4500000000000002 110.645 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.17 -0.919 . . . . 3.8199999999999998 111.448 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SXO . . . . . 0.732 ' H4A' ' HG ' ' A' ' 45' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 109.81 -0.441 . . . . 5.0199999999999996 109.81 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.58 166.46 23.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.361 -0.381 . . . . 2.3199999999999998 110.865 -176.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.5 t -73.0 129.3 37.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.2 -0.454 . . . . 2.1000000000000001 109.798 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.7 mt -143.5 -178.59 5.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.088 -0.505 . . . . 0.88 109.718 -173.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.823 HD22 ' HG ' ' A' ' 75' ' ' LEU . 4.1 tt -84.39 122.71 29.32 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.513 -0.551 . . . . 1.0 109.513 -177.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.452 ' H ' ' HB2' ' A' ' 9' ' ' ASP . 38.9 p -111.11 165.97 11.45 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.927 -0.397 . . . . 1.21 109.927 178.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.491 HG23 HD11 ' A' ' 31' ' ' LEU . 3.4 m -56.99 -40.39 76.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 1.3 110.839 175.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -70.71 -39.86 73.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.187 -0.461 . . . . 2.1899999999999999 111.011 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.452 ' HB2' ' H ' ' A' ' 6' ' ' THR . 3.9 m-20 -62.08 -42.77 99.55 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 120.874 0.369 . . . . 1.1200000000000001 110.196 176.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.463 ' HB2' HD21 ' A' ' 5' ' ' LEU . 44.0 tp -63.62 -46.03 87.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.978 -0.555 . . . . 1.0800000000000001 110.024 177.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -54.91 -53.27 57.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.753 -0.658 . . . . 2.1699999999999999 111.115 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -66.83 -29.62 69.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.308 -0.406 . . . . 3.6600000000000001 110.923 -175.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.73 -45.98 90.19 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.432 -0.349 . . . . 0.48999999999999999 110.791 -178.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.568 HD13 HG21 ' A' ' 48' ' ' THR . 4.5 mm? -62.44 -43.52 98.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.078 0.466 . . . . 0.79000000000000004 110.819 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 67.9 t -66.11 -56.19 15.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.704 -0.68 . . . . 0.70999999999999996 111.339 -177.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -76.14 -9.17 58.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.415 . . . . 1.49 111.926 -173.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.2 t -80.44 -40.72 25.79 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.986 -0.376 . . . . 1.25 109.986 174.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.49 -45.71 10.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.989 -0.55 . . . . 1.6799999999999999 111.139 -178.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.55 79.81 1.48 Allowed Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.535 -0.84 . . . . 2.1400000000000001 111.947 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -60.33 122.6 14.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.925 0.393 . . . . 5.4699999999999998 111.228 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -131.72 28.28 4.58 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.792 0.806 . . . . 4.4699999999999998 109.736 174.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -141.98 -79.16 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.382 -0.826 . . . . 4.4000000000000004 110.584 -177.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.14 86.35 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.23 0 N-CA-C 111.295 -0.722 . . . . 2.54 111.295 -178.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.7 m -104.3 104.38 14.27 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.661 0.267 . . . . 3.02 111.041 -172.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -69.23 81.97 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.051 0.453 . . . . 2.7599999999999998 110.779 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.7 tp -98.13 7.67 45.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.051 0.929 . . . . 1.6000000000000001 109.239 177.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.67 0.58 57.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.853 -1.067 . . . . 2.0800000000000001 111.195 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.08 41.65 2.59 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.955 -0.64 . . . . 1.8400000000000001 112.307 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.7 t0 71.06 156.78 0.16 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.451 0.7 . . . . 2.77 111.174 -176.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -165.45 -26.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.909 -0.587 . . . . 0.92000000000000004 111.05 -176.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.696 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 97.1 mt -55.74 -40.51 72.6 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.818 0.673 . . . . 0.78000000000000003 112.818 -174.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -93.2 -14.6 26.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.206 0.527 . . . . 2.29 110.875 -175.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.6 mt -86.13 146.72 26.47 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.974 -0.557 . . . . 1.23 110.212 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -71.35 149.39 46.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.525 -0.307 . . . . 2.8799999999999999 110.751 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.42 ' HA ' HG12 ' A' ' 38' ' ' ILE . 67.5 m-85 -54.48 -37.43 65.26 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.949 0.404 . . . . 0.58999999999999997 110.492 176.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -56.13 -30.37 62.03 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.5 -0.773 . . . . 2.6000000000000001 111.331 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -92.06 -25.08 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 2.0299999999999998 112.141 -172.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.472 HG13 ' HD2' ' A' ' 40' ' ' TYR . 26.2 pt -87.34 21.97 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.589 -0.445 . . . . 0.67000000000000004 111.844 -176.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.64 17.17 80.22 Favored Glycine 0 CA--C 1.52 0.356 0 CA-C-N 115.928 -0.578 . . . . 0.62 114.085 172.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.472 ' HD2' HG13 ' A' ' 38' ' ' ILE . 57.5 m-85 -107.48 115.41 30.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.55 0.675 . . . . 0.70999999999999996 111.034 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -73.52 161.38 30.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.638 -0.71 . . . . 1.9299999999999999 110.024 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.711 ' HB2' ' H28' ' A' ' 87' ' ' SXO . 0.0 OUTLIER -50.51 -44.06 55.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 123.438 0.461 . . . . 0.91000000000000003 111.984 178.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.499 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 63.0 tp -57.28 -57.83 10.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 1.3200000000000001 110.868 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.69 -28.65 70.09 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.188 0.518 . . . . 0.46999999999999997 111.189 -177.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.3 tp -64.65 -51.08 64.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.946 -0.57 . . . . 0.75 110.769 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.9 ptt? -72.68 -24.28 61.0 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.821 -0.351 . . . . 1.26 111.153 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 9.9 mm-40 -63.08 -45.9 89.96 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.583 0.706 . . . . 2.2000000000000002 109.536 175.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.568 HG21 HD13 ' A' ' 14' ' ' LEU . 35.6 m -63.36 -29.25 70.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.215 -0.902 . . . . 0.54000000000000004 111.592 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.442 ' HB1' HD12 ' A' ' 60' ' ' ILE . . . -57.53 -41.7 81.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.904 0.383 . . . . 0.46000000000000002 111.398 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.22 -29.35 70.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.747 -0.66 . . . . 0.48999999999999999 110.827 -177.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 51' ' ' ARG . 8.5 mmm180 -72.06 -36.75 69.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.569 -0.741 . . . . 2.8599999999999999 110.447 -177.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.7 mt -67.71 -47.18 70.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.973 0.416 . . . . 0.56000000000000005 110.114 178.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.458 ' OE2' ' HA ' ' A' ' 59' ' ' SER . 55.2 mt-10 -59.04 -47.62 84.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.566 -0.743 . . . . 0.51000000000000001 110.499 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.1 m -65.4 -30.95 71.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.251 -0.431 . . . . 1.4199999999999999 111.705 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -71.71 -53.62 12.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 2.4199999999999999 110.503 -177.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.403 ' OH ' ' HA ' ' A' ' 5' ' ' LEU . 87.9 m-85 -93.74 -8.79 39.74 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.139 0.422 . . . . 1.0800000000000001 112.139 -172.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.45 34.82 49.3 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.33 -0.938 . . . . 0.57999999999999996 111.156 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.45 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 21.7 m -112.2 -173.75 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.039 0.447 . . . . 0.45000000000000001 110.884 -176.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.458 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 8.2 t -146.93 138.14 24.06 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.95 -0.759 . . . . 1.6200000000000001 108.95 170.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.442 HD12 ' HB1' ' A' ' 49' ' ' ALA . 67.6 mt -90.86 118.87 68.92 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.232 -0.44 . . . . 0.59999999999999998 110.072 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.431 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 52.5 Cg_exo -52.95 120.64 7.98 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.718 2.278 . . . . 0.81000000000000005 112.317 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -56.87 -38.51 72.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.387 -0.824 . . . . 1.99 112.348 -175.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -78.92 -40.04 33.12 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.353 0.597 . . . . 2.4399999999999999 110.478 -177.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.431 ' HB ' ' HB2' ' A' ' 61' ' ' PRO . 21.9 t -76.02 -27.03 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.922 -0.581 . . . . 1.1399999999999999 111.544 -176.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.565 ' HB1' ' H3A' ' A' ' 87' ' ' SXO . . . -61.24 -37.2 82.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.359 . . . . 0.68000000000000005 111.108 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.54 9.74 41.01 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.724 -0.671 . . . . 0.77000000000000002 112.702 -178.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -100.52 -16.62 17.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.618 0.246 . . . . 3.6299999999999999 110.818 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 65' ' ' ALA . 18.9 m -96.2 159.78 2.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 120.898 0.38 . . . . 0.94999999999999996 111.352 -176.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -143.68 -1.4 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.785 -0.643 . . . . 1.75 110.345 174.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 p -135.53 136.86 24.72 Favored Pre-proline 0 N--CA 1.449 -0.482 0 CA-C-N 115.855 -0.611 . . . . 0.5 111.314 -173.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.696 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 89.8 Cg_exo -50.53 -40.77 54.37 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 124.051 3.167 . . . . 0.38 113.619 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -54.0 -52.13 61.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.954 0.406 . . . . 3.5600000000000001 111.281 -178.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -64.83 -31.23 72.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.945 -0.57 . . . . 2.4300000000000002 111.364 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.24 -43.85 76.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.137 -0.483 . . . . 1.22 110.097 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.823 ' HG ' HD22 ' A' ' 5' ' ' LEU . 8.8 tt -58.49 -55.98 27.99 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.905 -0.589 . . . . 1.1200000000000001 110.666 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.11 -26.98 67.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.224 -0.444 . . . . 1.4299999999999999 111.555 -178.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 57.7 tp -64.11 -52.68 58.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.657 0.265 . . . . 1.6599999999999999 111.178 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.7 mt -67.54 -44.16 86.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.40999999999999998 110.628 -177.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -64.87 -32.25 73.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.411 -0.359 . . . . 1.6699999999999999 111.388 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.08 -35.46 91.51 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.522 -0.847 . . . . 0.54000000000000004 111.918 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.45 -30.43 61.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.103 0.478 . . . . 0.72999999999999998 110.764 177.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.402 HD21 ' CG1' ' A' ' 58' ' ' VAL . 94.4 mt -72.52 -42.25 65.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.837 -0.62 . . . . 0.87 110.869 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.17 -21.0 66.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.054 0.454 . . . . 1.05 110.965 177.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -63.99 -24.26 67.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.85 -0.614 . . . . 2.6699999999999999 110.397 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.52 21.34 15.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.674 -0.693 . . . . 2.4500000000000002 111.131 -178.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.193 -0.908 . . . . 3.8199999999999998 110.449 -178.412 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SXO . . . . . 0.711 ' H28' ' HB2' ' A' ' 42' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.7 ttp . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 121.421 0.629 . . . . 5.0199999999999996 110.317 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.05 123.0 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.248 -0.887 . . . . 2.3199999999999998 109.363 -177.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 p -73.76 105.43 5.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.166 0.508 . . . . 2.1000000000000001 111.531 -177.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.3 mt -78.12 -174.98 3.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.304 -0.862 . . . . 0.88 109.899 175.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.689 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 2.3 tt -80.4 121.76 26.11 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.932 -1.136 . . . . 1.0 107.932 176.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -121.35 159.26 26.46 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.194 -0.298 . . . . 1.21 110.194 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.456 ' CG2' HD11 ' A' ' 31' ' ' LEU . 3.1 m -55.77 -33.53 64.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.973 -0.558 . . . . 1.3 111.649 -177.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.35 -60.91 3.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.823 -0.626 . . . . 2.1899999999999999 110.539 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -67.12 -29.47 69.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.192 -0.913 . . . . 1.1200000000000001 111.434 -178.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.21 -44.16 97.71 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.819 -0.437 . . . . 1.0800000000000001 109.819 176.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -56.29 -32.43 64.58 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.609 -0.723 . . . . 2.1699999999999999 111.097 176.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -77.48 -42.37 36.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 3.6600000000000001 111.555 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.73 -37.63 82.4 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.155 0.428 . . . . 0.48999999999999999 112.155 -173.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.406 ' HB3' ' OH ' ' A' ' 40' ' ' TYR . 4.5 mm? -63.36 -37.12 86.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.102 0.477 . . . . 0.79000000000000004 110.706 177.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.1 t -73.2 -39.65 56.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.004 0.431 . . . . 0.70999999999999996 110.036 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -61.38 -37.94 85.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.905 -0.589 . . . . 1.49 111.169 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.807 ' HB3' ' HG3' ' A' ' 51' ' ' ARG . 18.4 p -78.01 -39.88 40.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.577 0.227 . . . . 1.25 111.219 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.1 -57.88 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.946 0.403 . . . . 1.6799999999999999 110.77 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.28 -16.97 54.59 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.916 -0.659 . . . . 2.1400000000000001 112.718 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -95.5 145.88 24.85 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.185 -0.302 . . . . 5.4699999999999998 110.185 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.38 29.57 4.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.075 -0.512 . . . . 4.4699999999999998 110.852 -174.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -87.56 -70.41 0.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.336 -0.393 . . . . 4.4000000000000004 111.253 -175.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.36 -4.73 25.17 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.292 -0.956 . . . . 2.54 111.896 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.1 p -88.85 71.05 8.67 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.026 0.38 . . . . 3.02 112.026 -178.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.34 133.28 47.5 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.374 -0.602 . . . . 2.7599999999999998 109.374 175.141 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mp -108.58 42.57 1.37 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.914 -0.585 . . . . 1.6000000000000001 110.103 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.1 t -70.7 -26.81 63.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 2.0800000000000001 110.168 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -103.81 -162.84 25.0 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.885 -0.674 . . . . 1.8400000000000001 111.833 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -81.34 131.18 35.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.811 0.339 . . . . 2.77 110.327 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -117.42 -22.98 7.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.971 -0.559 . . . . 0.92000000000000004 111.045 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.7 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 3.8 mp -60.18 -30.11 69.13 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 112.299 0.481 . . . . 0.78000000000000003 112.299 -176.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -89.29 -19.6 25.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.178 0.513 . . . . 2.29 110.891 -174.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.5 mt -88.99 151.43 22.3 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.741 -0.663 . . . . 1.23 109.67 177.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.453 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 93.0 mtt180 -73.02 153.96 40.68 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.231 -0.293 . . . . 2.8799999999999999 110.291 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -55.55 -52.51 63.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.719 0.295 . . . . 0.58999999999999997 111.44 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.486 ' CD ' ' H ' ' A' ' 36' ' ' GLU . 1.2 mp0 -60.62 -22.44 63.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.3 0.572 . . . . 2.6000000000000001 110.651 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -82.79 -32.47 27.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.72 -0.673 . . . . 2.0299999999999998 109.82 -174.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.436 HG13 ' HD2' ' A' ' 40' ' ' TYR . 14.4 pt -91.86 14.66 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.302 -0.408 . . . . 0.67000000000000004 111.549 176.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.94 20.44 61.14 Favored Glycine 0 CA--C 1.516 0.137 0 C-N-CA 121.021 -0.609 . . . . 0.62 113.632 174.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.436 ' HD2' HG13 ' A' ' 38' ' ' ILE . 55.1 m-85 -108.52 103.57 12.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.192 0.52 . . . . 0.70999999999999996 110.604 176.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -88.57 -172.67 3.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.445 -0.798 . . . . 1.9299999999999999 110.55 -175.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.7 p -52.56 -55.3 23.19 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.378 0.671 . . . . 0.91000000000000003 112.161 -173.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' A' ' 46' ' ' MET . 59.9 tp -61.16 -46.3 91.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.833 -0.621 . . . . 1.3200000000000001 111.452 -176.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.43 -36.82 85.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.116 0.484 . . . . 0.46999999999999997 110.979 -178.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.3 tp -67.62 -46.64 71.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.875 -0.602 . . . . 0.75 111.103 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.496 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 5.2 ppp? -66.65 -34.52 78.05 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.119 -0.232 . . . . 1.26 111.176 -176.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.45 -35.23 79.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.942 0.401 . . . . 2.2000000000000002 110.718 175.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 53.1 m -63.22 -32.49 73.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.985 -0.552 . . . . 0.54000000000000004 111.045 178.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.48 -48.82 76.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.325 -0.398 . . . . 0.46000000000000002 110.507 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.81 -26.21 68.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.388 0.613 . . . . 0.48999999999999999 110.723 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.807 ' HG3' ' HB3' ' A' ' 17' ' ' SER . 3.9 mmp_? -72.3 -35.73 68.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.683 -0.689 . . . . 2.8599999999999999 110.974 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.552 HD22 HD11 ' A' ' 5' ' ' LEU . 77.8 mt -83.64 -47.95 10.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.584 -0.28 . . . . 0.56000000000000005 111.554 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.486 ' HA ' HG22 ' A' ' 58' ' ' VAL . 52.5 mt-10 -59.44 -55.51 33.77 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.292 -0.413 . . . . 0.51000000000000001 111.902 -174.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.5 m -66.14 -20.75 66.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.888 0.375 . . . . 1.4199999999999999 111.578 -177.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 51' ' ' ARG . 42.8 ttt180 -81.3 -47.56 13.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.117 -0.492 . . . . 2.4199999999999999 111.15 -175.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.689 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 99.1 m-85 -100.47 -9.33 22.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.169 -0.469 . . . . 1.0800000000000001 111.845 -175.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.42 50.86 7.82 Favored Glycine 0 N--CA 1.453 -0.175 0 C-N-CA 120.639 -0.791 . . . . 0.57999999999999996 112.141 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.486 HG22 ' HA ' ' A' ' 53' ' ' GLU . 34.2 m -121.67 -171.81 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.985 0.422 . . . . 0.45000000000000001 111.016 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.0 m -147.81 117.53 7.1 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.19 -0.67 . . . . 1.6200000000000001 109.19 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.1 mt -90.08 123.01 67.07 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.831 0.348 . . . . 0.59999999999999998 110.92 -176.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.425 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 48.1 Cg_exo -56.26 128.88 31.98 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.306 2.671 . . . . 0.81000000000000005 112.821 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -56.56 -53.04 62.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.485 -0.78 . . . . 1.99 112.375 -175.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -79.71 -29.96 40.86 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.865 -0.334 . . . . 2.4399999999999999 111.583 -171.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.425 ' HB ' ' HB2' ' A' ' 61' ' ' PRO . 45.4 t -72.71 -36.37 52.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.065 0.459 . . . . 1.1399999999999999 110.17 -179.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.698 ' HB1' ' H6 ' ' A' ' 87' ' ' SXO . . . -64.8 -15.45 61.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.948 -0.569 . . . . 0.68000000000000005 111.918 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.4 -11.85 65.97 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.483 -0.865 . . . . 0.77000000000000002 112.28 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -97.88 -7.77 29.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.649 0.262 . . . . 3.6299999999999999 111.229 -176.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.4 m -90.16 106.65 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.732 0.777 . . . . 0.94999999999999996 110.689 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.453 ' O ' ' HA ' ' A' ' 34' ' ' ARG . 12.7 p-10 -91.61 -13.44 31.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.502 -0.772 . . . . 1.75 110.27 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.3 p -130.42 140.55 39.01 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.783 -0.644 . . . . 0.5 110.761 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.7 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 46.6 Cg_exo -57.38 -23.6 55.95 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 123.095 2.53 . . . . 0.38 112.222 176.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -51.44 -55.55 18.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.715 -0.675 . . . . 3.5600000000000001 110.645 178.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -66.87 -38.21 85.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.641 -0.709 . . . . 2.4300000000000002 111.545 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.488 HD11 ' H7A' ' A' ' 87' ' ' SXO . 1.7 tt -60.27 -51.54 69.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.327 -0.397 . . . . 1.22 110.227 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.449 ' CD1' HD22 ' A' ' 5' ' ' LEU . 46.8 tp -59.65 -47.27 86.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.369 -0.378 . . . . 1.1200000000000001 110.451 178.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -56.0 -41.51 74.99 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.798 -0.637 . . . . 1.4299999999999999 110.78 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.1 tp -61.81 -56.19 22.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.458 -0.792 . . . . 1.6599999999999999 111.31 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 65.9 mt -61.54 -41.48 90.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.425 . . . . 0.40999999999999998 111.006 -176.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.438 HD22 ' HA ' ' A' ' 79' ' ' ASN . 8.9 m120 -58.92 -48.82 80.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.363 -0.381 . . . . 1.6699999999999999 110.922 176.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.68 -34.4 89.53 Favored Glycine 0 C--N 1.329 0.152 0 C-N-CA 121.042 -0.599 . . . . 0.54000000000000004 112.491 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.36 -32.58 70.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.042 0.449 . . . . 0.72999999999999998 110.599 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.6 mt -79.73 -25.61 41.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.96 -0.564 . . . . 0.87 110.797 178.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.39 -32.77 74.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.044 -0.526 . . . . 1.05 111.434 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -95.62 3.0 54.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.281 -0.418 . . . . 2.6699999999999999 110.978 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.26 114.75 21.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.882 0.372 . . . . 2.4500000000000002 110.999 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.378 -0.82 . . . . 3.8199999999999998 109.784 177.41 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SXO . . . . . 0.698 ' H6 ' ' HB1' ' A' ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.843 0.354 . . . . 5.0199999999999996 110.387 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.04 170.69 7.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.205 -0.452 . . . . 2.3199999999999998 110.69 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 p -74.74 106.94 6.53 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.102 -0.499 . . . . 2.1000000000000001 110.546 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.2 mt -77.17 170.68 16.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.286 -0.415 . . . . 0.88 110.756 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.731 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -80.93 125.17 29.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 1.0 109.736 -177.379 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.5 p -107.34 167.76 9.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.97 0.415 . . . . 1.21 111.409 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.522 HG22 HD11 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -58.04 -56.43 22.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.821 -0.627 . . . . 1.3 112.53 178.716 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -63.02 -32.32 73.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.162 -0.472 . . . . 2.1899999999999999 111.537 -176.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -63.02 -48.15 79.98 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.153 -0.684 . . . . 1.1200000000000001 109.153 176.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.466 HD21 ' HB3' ' A' ' 71' ' ' PRO . 54.9 tp -60.09 -43.58 95.42 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.181 -0.918 . . . . 1.0800000000000001 110.306 177.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 11' ' ' ARG . 38.1 ttm180 -53.0 -40.82 64.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 2.1699999999999999 110.878 178.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -70.37 -33.38 71.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.447 -0.342 . . . . 3.6600000000000001 111.156 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.79 88.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.375 -0.375 . . . . 0.48999999999999999 110.979 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.549 ' HB3' ' OH ' ' A' ' 40' ' ' TYR . 3.6 mm? -65.02 -41.33 95.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.922 0.392 . . . . 0.79000000000000004 110.195 176.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 82.8 t -61.29 -47.56 92.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.092 -0.503 . . . . 0.70999999999999996 110.744 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.75 -17.81 61.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.453 -0.339 . . . . 1.49 111.628 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.8 m -84.1 -13.91 51.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 1.25 111.187 177.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -139.43 -84.08 0.26 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.369 -0.378 . . . . 1.6799999999999999 110.705 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.46 -11.21 46.91 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.618 -0.801 . . . . 2.1400000000000001 113.02 176.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -95.22 135.13 37.17 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.899 -0.408 . . . . 5.4699999999999998 109.899 -178.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 m -103.97 72.41 1.09 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.224 0.535 . . . . 4.4699999999999998 110.019 -178.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.89 -49.95 66.25 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.198 -0.91 . . . . 4.4000000000000004 111.3 -178.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 168.78 54.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 111.563 -0.615 . . . . 2.54 111.563 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.2 m -126.42 116.75 21.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.919 -0.141 . . . . 3.02 110.703 -174.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -73.17 72.07 1.2 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.102 0.477 . . . . 2.7599999999999998 110.864 177.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.2 tp -81.84 -9.21 59.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.194 0.521 . . . . 1.6000000000000001 110.252 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.6 p -72.72 -21.67 61.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.678 -0.692 . . . . 2.0800000000000001 110.616 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -103.67 -101.77 2.68 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.872 -0.68 . . . . 1.8400000000000001 112.492 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -96.45 160.18 14.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.864 0.364 . . . . 2.77 110.622 -174.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -176.44 -32.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.414 -0.812 . . . . 0.92000000000000004 109.812 -175.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.582 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 29.0 mt -55.91 -49.03 74.58 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 113.755 1.02 . . . . 0.78000000000000003 113.755 -175.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -93.95 -0.11 55.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.299 0.571 . . . . 2.29 111.049 -170.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.7 mt -87.7 140.31 29.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.91 -0.586 . . . . 1.23 109.864 175.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.436 ' HB3' ' OE1' ' A' ' 36' ' ' GLU . 79.9 mtm180 -70.63 158.55 35.99 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.776 -0.453 . . . . 2.8799999999999999 109.776 178.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -57.15 -40.82 78.0 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.565 -0.288 . . . . 0.58999999999999997 111.539 -178.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.436 ' OE1' ' HB3' ' A' ' 34' ' ' ARG . 3.0 pm0 -64.64 -26.48 68.41 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.635 -0.257 . . . . 2.6000000000000001 111.608 175.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -82.07 -28.57 32.31 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 120.929 0.395 . . . . 2.0299999999999998 110.144 -175.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.49 HG13 ' HD1' ' A' ' 40' ' ' TYR . 21.2 pt -90.49 3.68 6.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.67000000000000004 111.028 176.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.31 49.45 20.41 Favored Glycine 0 C--N 1.332 0.324 0 CA-C-N 115.964 -0.562 . . . . 0.62 114.097 173.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.549 ' OH ' ' HB3' ' A' ' 14' ' ' LEU . 37.7 m-85 -118.9 122.98 43.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.421 0.61 . . . . 0.70999999999999996 111.509 177.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -71.67 166.61 21.56 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.288 -0.869 . . . . 1.9299999999999999 111.347 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.4 p -53.9 -51.27 64.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.848 -0.615 . . . . 0.91000000000000003 110.896 175.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.509 ' O ' ' HG3' ' A' ' 46' ' ' MET . 33.6 tp -59.63 -40.16 86.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.41 -0.814 . . . . 1.3200000000000001 111.428 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.33 -41.68 89.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.144 0.497 . . . . 0.46999999999999997 110.59 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.422 ' HG ' ' H7 ' ' A' ' 87' ' ' SXO . 59.4 tp -63.79 -39.03 93.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.509 -0.769 . . . . 0.75 111.968 -175.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.509 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 5.1 ppp? -69.16 -32.22 71.4 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.784 -0.367 . . . . 1.26 110.718 -179.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.59 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 30.0 mm-40 -67.07 -38.85 86.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.608 -0.269 . . . . 2.2000000000000002 110.619 173.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.2 m -57.63 -41.0 80.47 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.163 -0.471 . . . . 0.54000000000000004 110.81 177.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.587 ' HB2' ' H7A' ' A' ' 87' ' ' SXO . . . -57.22 -49.15 76.9 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.049 -0.523 . . . . 0.46000000000000002 110.414 176.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.69 -33.21 73.59 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.557 -0.747 . . . . 0.48999999999999999 111.0 -177.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.59 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 4.8 mmp_? -57.71 -45.25 85.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.473 -0.785 . . . . 2.8599999999999999 110.552 178.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.479 HD22 HD11 ' A' ' 5' ' ' LEU . 70.9 mt -75.09 -45.76 39.15 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.946 -0.57 . . . . 0.56000000000000005 111.059 -176.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 46.8 mt-10 -56.46 -49.49 74.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.885 -0.598 . . . . 0.51000000000000001 110.948 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.2 t -63.74 -35.98 82.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.954 -0.566 . . . . 1.4199999999999999 111.508 -176.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -76.68 -50.04 14.66 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.864 0.32 . . . . 2.4199999999999999 111.864 -174.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.731 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 89.8 m-85 -93.08 -1.8 56.16 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.249 0.462 . . . . 1.0800000000000001 112.249 -172.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.48 34.62 79.73 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.257 -0.973 . . . . 0.57999999999999996 111.531 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.8 m -111.74 -169.17 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.61 -0.295 . . . . 0.45000000000000001 110.523 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 t -157.66 138.04 12.78 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.718 -0.845 . . . . 1.6200000000000001 108.718 174.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.8 mt -95.45 112.44 58.84 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 116.192 -0.458 . . . . 0.59999999999999998 110.16 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -61.05 117.74 4.55 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.155 1.903 . . . . 0.81000000000000005 111.493 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -66.97 -6.85 18.45 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.471 0.545 . . . . 1.99 112.471 -175.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -78.02 -56.73 4.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.178 0.513 . . . . 2.4399999999999999 110.364 174.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.4 t -78.83 -12.68 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.998 -0.546 . . . . 1.1399999999999999 110.962 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.495 ' O ' HG12 ' A' ' 68' ' ' VAL . . . -62.12 -38.72 90.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.68000000000000005 111.792 -178.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -83.03 38.08 2.71 Favored Glycine 0 C--N 1.321 -0.258 0 C-N-CA 120.72 -0.753 . . . . 0.77000000000000002 112.153 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -144.77 31.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.896 0.379 . . . . 3.6299999999999999 110.309 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 65' ' ' ALA . 7.3 p -132.87 126.08 53.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.178 -0.465 . . . . 0.94999999999999996 110.263 -178.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -94.08 -43.17 8.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.178 -0.464 . . . . 1.75 111.437 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.558 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 77.0 p -125.98 149.58 66.65 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.953 0.406 . . . . 0.5 112.007 -172.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.582 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 72.1 Cg_exo -47.22 -38.87 26.3 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.763 2.975 . . . . 0.38 112.931 173.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.475 ' HG2' HD13 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -56.09 -41.37 75.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 3.5600000000000001 110.966 -179.692 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.45 ' HB2' HG23 ' A' ' 68' ' ' VAL . 34.2 mt-10 -68.29 -50.37 54.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.973 -0.558 . . . . 2.4300000000000002 110.285 175.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.29 -46.63 65.99 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.173 -0.921 . . . . 1.22 111.137 -178.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.7 tp -54.83 -54.81 37.51 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.228 -0.896 . . . . 1.1200000000000001 110.983 -177.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -64.32 -37.42 87.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.958 -0.565 . . . . 1.4299999999999999 111.06 -176.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.7 tp -63.25 -47.31 82.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.005 -0.543 . . . . 1.6599999999999999 111.147 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 70.6 mt -65.04 -37.82 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 0.40999999999999998 110.683 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.8 -42.04 96.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 1.6699999999999999 110.541 178.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.96 -40.66 99.17 Favored Glycine 0 C--N 1.331 0.269 0 CA-C-N 116.109 -0.496 . . . . 0.54000000000000004 112.468 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.49 68.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.16 0.505 . . . . 0.72999999999999998 111.197 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.75 -29.41 45.16 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.726 -0.67 . . . . 0.87 110.671 -177.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.42 -27.5 69.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.301 -0.408 . . . . 1.05 112.006 -177.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -96.3 0.83 51.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.875 0.369 . . . . 2.6699999999999999 111.118 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -87.59 -34.12 18.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.8 0.333 . . . . 2.4500000000000002 111.077 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.517 -0.754 . . . . 3.8199999999999998 110.904 -177.71 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SXO . . . . . 0.671 ' H30' HN36 ' A' ' 87' ' ' SXO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 111.648 0.24 . . . . 5.0199999999999996 111.648 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.55 153.84 17.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 2.3199999999999998 111.185 -175.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -101.66 104.55 15.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.643 0.735 . . . . 2.1000000000000001 110.319 177.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.4 mt -84.92 176.48 8.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.559 -0.746 . . . . 0.88 110.799 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.557 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 1.8 tt -84.95 122.27 28.96 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.188 -1.041 . . . . 1.0 108.188 174.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.43 165.45 11.39 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.36 0.504 . . . . 1.21 112.36 -174.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.474 HG22 HD11 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -57.7 -57.65 11.81 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.599 0.592 . . . . 1.3 112.599 -178.46 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -62.11 -39.94 94.23 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.076 0.465 . . . . 2.1899999999999999 110.702 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.468 ' HB3' ' OH ' ' A' ' 56' ' ' TYR . 5.1 m-20 -67.99 -27.92 66.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.825 -0.625 . . . . 1.1200000000000001 111.186 178.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.4 tp -70.43 -41.76 72.46 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.353 -0.61 . . . . 1.0800000000000001 109.353 173.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.805 ' HG3' ' HG ' ' A' ' 26' ' ' LEU . 39.2 ttp180 -55.46 -43.92 75.93 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 109.385 -0.598 . . . . 2.1699999999999999 109.385 173.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.529 ' HB3' ' OE2' ' A' ' 16' ' ' GLU . 53.6 mtp180 -57.69 -39.57 77.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.154 -0.93 . . . . 3.6600000000000001 111.479 175.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.72 -41.63 91.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.957 -0.565 . . . . 0.48999999999999999 111.728 -173.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.6 mm? -62.74 -48.59 78.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.771 0.319 . . . . 0.79000000000000004 110.532 178.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 52.1 t -63.37 -51.05 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.688 -0.687 . . . . 0.70999999999999996 110.699 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.529 ' OE2' ' HB3' ' A' ' 12' ' ' ARG . 53.1 mt-10 -64.61 -19.19 65.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.961 -0.563 . . . . 1.49 112.443 -176.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.426 ' OG ' ' HA ' ' A' ' 48' ' ' THR . 49.6 m -90.17 -63.0 1.34 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.179 0.437 . . . . 1.25 112.179 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.01 -53.44 6.43 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.705 0.288 . . . . 1.6799999999999999 111.553 -174.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.47 4.51 30.44 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.018 -1.087 . . . . 2.1400000000000001 113.178 177.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -72.95 119.2 16.86 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.11 -0.7 . . . . 5.4699999999999998 109.11 175.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.4 p -80.32 -115.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.964 -0.562 . . . . 4.4699999999999998 111.867 -174.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.68 77.26 2.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.972 0.415 . . . . 4.4000000000000004 110.286 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.48 -43.64 2.91 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.837 -0.62 . . . . 2.54 112.275 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.3 t -158.09 -168.85 2.61 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.121 -0.325 . . . . 3.02 110.121 -178.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.48 76.88 10.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.286 0.565 . . . . 2.7599999999999998 111.362 -177.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.805 ' HG ' ' HG3' ' A' ' 11' ' ' ARG . 38.2 tp -83.55 -14.6 51.83 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.861 -0.609 . . . . 1.6000000000000001 110.069 178.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.5 m -87.87 -9.27 54.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.905 -0.589 . . . . 2.0800000000000001 111.121 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.94 -136.39 8.46 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.938 -0.648 . . . . 1.8400000000000001 111.974 178.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -81.04 59.5 3.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.765 0.317 . . . . 2.77 110.835 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -65.96 -29.94 70.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.233 0.539 . . . . 0.92000000000000004 109.971 -178.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.647 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 92.1 mt -57.49 -23.84 52.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.505 -0.77 . . . . 0.78000000000000003 111.728 176.189 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -94.85 -22.85 17.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 2.29 111.053 -172.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -90.53 150.96 21.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.259 -0.428 . . . . 1.23 110.453 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.554 ' HB2' ' OD2' ' A' ' 37' ' ' ASP . 32.0 mtt180 -72.42 156.41 39.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.946 0.403 . . . . 2.8799999999999999 111.345 177.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -55.53 -43.05 75.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.025 -0.534 . . . . 0.58999999999999997 110.623 173.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.419 ' HG2' ' HB3' ' A' ' 34' ' ' ARG . 13.2 pt-20 -61.18 -28.79 69.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.858 -0.61 . . . . 2.6000000000000001 111.557 176.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.554 ' OD2' ' HB2' ' A' ' 34' ' ' ARG . 59.7 m-20 -80.49 -29.68 37.38 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 110.332 -0.247 . . . . 2.0299999999999998 110.332 -175.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.437 HG13 ' HD1' ' A' ' 40' ' ' TYR . 22.0 pt -89.11 5.73 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.839 0.352 . . . . 0.67000000000000004 110.927 176.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.08 34.52 12.59 Favored Glycine 0 CA--C 1.519 0.316 0 CA-C-N 115.913 -0.585 . . . . 0.62 114.473 172.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.437 ' HD1' HG13 ' A' ' 38' ' ' ILE . 50.3 m-85 -118.27 121.93 41.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 117.332 0.566 . . . . 0.70999999999999996 110.738 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -93.18 -174.57 3.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.396 -0.82 . . . . 1.9299999999999999 110.778 -176.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.1 p -56.26 -47.38 78.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.989 -0.551 . . . . 0.91000000000000003 111.544 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.5 tp -64.7 -51.05 64.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.15 -0.477 . . . . 1.3200000000000001 110.626 -176.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.29 80.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.845 0.355 . . . . 0.46999999999999997 110.566 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.0 tp -65.64 -45.81 81.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.101 -0.5 . . . . 0.75 110.975 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.8 ptm -68.89 -34.94 76.24 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.994 -0.283 . . . . 1.26 111.056 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.14 -36.46 83.18 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.867 0.365 . . . . 2.2000000000000002 110.514 175.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.426 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 50.3 m -63.01 -40.05 96.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.54000000000000004 110.562 175.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' A' ' 53' ' ' GLU . . . -56.55 -49.67 74.13 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.07 -0.514 . . . . 0.46000000000000002 111.063 176.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.12 -27.25 65.42 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.766 -0.652 . . . . 0.48999999999999999 111.516 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -76.18 -29.66 57.76 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.951 -0.568 . . . . 2.8599999999999999 110.2 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.8 mt -82.24 -39.41 23.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.085 -0.507 . . . . 0.56000000000000005 111.116 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 51.3 mt-10 -55.9 -57.89 10.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.758 -0.655 . . . . 0.51000000000000001 111.692 -176.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.2 p -68.88 -27.15 65.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.184 -0.462 . . . . 1.4199999999999999 111.97 -177.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -77.75 -44.0 29.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.192 -0.458 . . . . 2.4199999999999999 111.213 -174.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.557 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 90.1 m-85 -105.85 -2.09 23.48 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.815 0.302 . . . . 1.0800000000000001 111.815 -174.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.16 52.33 6.29 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.762 -0.732 . . . . 0.57999999999999996 113.055 176.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.472 HG23 ' HA ' ' A' ' 53' ' ' GLU . 2.5 m -132.88 -176.26 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.133 0.492 . . . . 0.45000000000000001 111.398 177.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.8 t -145.13 116.61 8.05 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.983 -1.117 . . . . 1.6200000000000001 107.983 177.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.484 ' HA ' ' HD3' ' A' ' 61' ' ' PRO . 91.4 mt -97.79 111.16 58.23 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-O 121.041 0.448 . . . . 0.59999999999999998 110.987 -172.189 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 5.7 Cg_exo -75.89 149.62 33.42 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.579 2.853 . . . . 0.81000000000000005 113.154 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.12 -51.47 69.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.382 -0.827 . . . . 1.99 111.858 -175.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -72.58 -29.63 63.69 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.906 -0.588 . . . . 2.4399999999999999 110.988 -171.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.737 HG12 HD21 ' A' ' 77' ' ' LEU . 43.8 t -78.35 -40.62 25.27 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 116.178 -0.464 . . . . 1.1399999999999999 110.311 178.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.75 -45.85 81.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.995 -0.548 . . . . 0.68000000000000005 111.624 -176.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.91 37.18 1.47 Allowed Glycine 0 CA--C 1.52 0.357 0 CA-C-N 115.811 -0.631 . . . . 0.77000000000000002 113.159 -175.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -133.39 6.47 3.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.964 0.411 . . . . 3.6299999999999999 110.577 177.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.506 HG21 HD23 ' A' ' 74' ' ' LEU . 34.6 m -93.53 -180.0 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.94999999999999996 109.823 174.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -145.05 -55.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.026 0.441 . . . . 1.75 109.966 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.9 p -108.43 159.47 30.66 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.942 -0.572 . . . . 0.5 110.854 177.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.647 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 87.9 Cg_exo -51.48 -33.28 46.62 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.237 2.625 . . . . 0.38 112.562 175.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -52.29 -53.62 41.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.946 -0.57 . . . . 3.5600000000000001 110.646 176.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -64.31 -44.0 92.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.328 -0.851 . . . . 2.4300000000000002 110.417 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.506 HD23 HG21 ' A' ' 68' ' ' VAL . 2.7 tm? -60.59 -47.2 87.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.543 -0.753 . . . . 1.22 110.709 -178.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 41.5 tp -58.06 -51.87 67.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.256 -0.429 . . . . 1.1200000000000001 110.952 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -64.92 -33.78 76.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.972 -0.558 . . . . 1.4299999999999999 111.424 -176.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.737 HD21 HG12 ' A' ' 64' ' ' VAL . 54.0 tp -61.37 -42.94 99.51 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.089 0.471 . . . . 1.6599999999999999 110.414 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 60.6 mt -79.48 -35.03 16.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.816 -0.629 . . . . 0.40999999999999998 110.433 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.408 HD22 ' HA ' ' A' ' 79' ' ' ASN . 9.1 m120 -57.87 -44.07 86.42 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.472 -0.331 . . . . 1.6699999999999999 110.522 175.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -54.82 -39.47 67.99 Favored Glycine 0 C--N 1.334 0.425 0 CA-C-N 115.998 -0.546 . . . . 0.54000000000000004 113.266 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.72 -42.52 58.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.257 0.551 . . . . 0.72999999999999998 111.14 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 34.1 mt -68.49 -27.88 66.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.92 -0.582 . . . . 0.87 111.048 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.62 -17.37 64.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.216 -0.447 . . . . 1.05 112.065 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -79.03 -13.47 59.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.599 -0.273 . . . . 2.6699999999999999 111.271 -177.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.11 132.81 50.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.426 -0.352 . . . . 2.4500000000000002 111.477 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.911 0 CA-C-N 115.642 -0.708 . . . . 3.8199999999999998 110.036 176.83 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SXO . . . . . 0.627 HN36 ' H30' ' A' ' 87' ' ' SXO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 110.127 -0.323 . . . . 5.0199999999999996 110.127 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.53 141.95 28.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.395 -0.366 . . . . 2.3199999999999998 110.71 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.5 t -85.3 109.25 18.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.276 0.56 . . . . 2.1000000000000001 110.246 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.9 154.23 33.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.856 -0.611 . . . . 0.88 111.18 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.6 tp -84.17 127.65 34.06 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.189 -0.671 . . . . 1.0 109.189 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.1 p -110.28 176.47 5.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.872 0.368 . . . . 1.21 111.557 -176.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.494 HG23 HD11 ' A' ' 31' ' ' LEU . 17.7 m -58.13 -53.23 60.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.409 -0.814 . . . . 1.3 110.784 174.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.574 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 37.9 t70 -69.64 -37.97 76.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.021 -0.536 . . . . 2.1899999999999999 111.38 -174.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -62.81 -37.73 87.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.784 0.326 . . . . 1.1200000000000001 110.338 177.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.5 tp -63.02 -46.19 88.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.097 -0.501 . . . . 1.0800000000000001 109.675 173.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.41 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 40.4 ttm180 -54.28 -29.14 46.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.483 -0.78 . . . . 2.1699999999999999 111.647 177.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' A' ' 8' ' ' ASP . 2.9 mmp_? -80.0 -33.99 38.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.477 -0.329 . . . . 3.6600000000000001 111.19 -178.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.56 -38.0 85.88 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.952 0.353 . . . . 0.48999999999999999 111.952 -174.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.618 HD13 HG21 ' A' ' 48' ' ' THR . 3.6 mm? -62.92 -34.17 76.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.328 -0.396 . . . . 0.79000000000000004 110.597 179.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.3 t -80.74 -37.19 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.334 -0.394 . . . . 0.70999999999999996 110.425 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 46.5 mt-10 -60.1 -36.03 76.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.017 -0.538 . . . . 1.49 110.995 177.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.654 ' OG ' ' HA ' ' A' ' 48' ' ' THR . 8.5 m -86.24 -56.99 3.19 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.582 -0.735 . . . . 1.25 111.756 -177.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -113.12 -71.74 0.74 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.667 0.27 . . . . 1.6799999999999999 111.517 -175.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.85 -92.25 1.33 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.796 -0.716 . . . . 2.1400000000000001 112.18 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 64.25 -171.2 0.18 Allowed 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 122.79 0.436 . . . . 5.4699999999999998 111.432 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.9 p -78.8 -164.5 0.6 Allowed 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.461 -0.336 . . . . 4.4699999999999998 110.872 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -77.55 70.93 4.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.072 0.463 . . . . 4.4000000000000004 110.92 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.09 -17.68 52.74 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 111.37 -0.692 . . . . 2.54 111.37 175.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.1 t -160.36 -176.33 5.55 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.759 -0.83 . . . . 3.02 108.759 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.62 139.48 47.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.122 0.487 . . . . 2.7599999999999998 110.642 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.8 mt -114.24 20.73 15.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.467 -0.788 . . . . 1.6000000000000001 110.152 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 35.4 p -100.6 -26.59 13.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.144 -0.48 . . . . 2.0800000000000001 110.58 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.96 -164.28 29.29 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.871 -0.68 . . . . 1.8400000000000001 112.475 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -80.85 79.03 7.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.306 0.574 . . . . 2.77 111.221 -178.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -80.32 -32.93 37.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.898 -0.592 . . . . 0.92000000000000004 111.668 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.562 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 83.1 mt -55.17 -32.88 62.51 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.202 -0.454 . . . . 0.78000000000000003 111.472 178.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -95.51 18.65 12.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.597 -0.729 . . . . 2.29 110.915 -169.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.419 ' O ' ' HD2' ' A' ' 71' ' ' PRO . 97.2 mt -140.95 159.82 41.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.534 -0.913 . . . . 1.23 108.534 178.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 69' ' ' ASP . 94.2 mtt180 -73.15 160.27 32.24 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.709 0.29 . . . . 2.8799999999999999 110.371 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -56.34 -40.05 73.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.14 0.495 . . . . 0.58999999999999997 110.243 172.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -64.17 -22.52 66.97 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.9 -0.591 . . . . 2.6000000000000001 111.675 177.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -81.62 -32.39 31.99 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.787 0.327 . . . . 2.0299999999999998 110.268 -177.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.489 HG13 ' HD2' ' A' ' 40' ' ' TYR . 14.9 pt -91.75 7.53 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.27 -0.423 . . . . 0.67000000000000004 111.564 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.53 49.62 6.57 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.921 -0.581 . . . . 0.62 114.039 172.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.524 ' CE1' HD12 ' A' ' 14' ' ' LEU . 40.7 m-85 -123.93 112.88 17.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.221 0.534 . . . . 0.70999999999999996 111.573 176.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.8 161.16 31.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.893 -1.048 . . . . 1.9299999999999999 110.979 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 1.057 ' HB2' ' H28' ' A' ' 87' ' ' SXO . 0.0 OUTLIER -52.99 -47.43 68.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.806 -0.633 . . . . 0.91000000000000003 112.313 -179.06 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.584 ' O ' ' HG3' ' A' ' 46' ' ' MET . 57.7 tp -56.25 -53.98 50.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.511 -0.313 . . . . 1.3200000000000001 111.053 -178.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.03 -34.03 77.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.044 0.45 . . . . 0.46999999999999997 110.746 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.1 tp -65.48 -45.63 82.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.841 -0.618 . . . . 0.75 111.144 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.584 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 5.1 ppp? -70.61 -32.97 70.52 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.143 -0.223 . . . . 1.26 110.848 -177.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -64.13 -39.36 93.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.122 0.487 . . . . 2.2000000000000002 110.098 174.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.654 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 55.7 m -64.8 -37.16 86.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.677 -0.692 . . . . 0.54000000000000004 111.051 178.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.14 -39.16 74.64 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.229 -0.441 . . . . 0.46000000000000002 111.735 -178.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.22 -29.9 69.04 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.031 -0.531 . . . . 0.48999999999999999 110.585 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.535 ' HB2' ' O ' ' A' ' 48' ' ' THR . 25.3 mmt180 -61.71 -60.87 3.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.614 -0.721 . . . . 2.8599999999999999 110.701 177.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.45 -44.03 96.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.892 -0.594 . . . . 0.56000000000000005 111.156 -176.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.547 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 45.6 mt-10 -59.08 -57.5 12.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.51000000000000001 111.419 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.4 m -67.02 -31.87 72.7 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.812 0.301 . . . . 1.4199999999999999 111.812 -176.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -74.69 -45.95 41.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.466 -0.334 . . . . 2.4199999999999999 111.449 -175.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -100.0 -2.16 35.21 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.01 0.374 . . . . 1.0800000000000001 112.01 -175.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.98 39.65 37.47 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.739 -0.743 . . . . 0.57999999999999996 112.708 176.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.547 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 33.8 m -114.18 177.08 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.717 0.294 . . . . 0.45000000000000001 110.743 -179.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.413 ' O ' ' HD3' ' A' ' 61' ' ' PRO . 50.3 m -141.51 118.03 10.91 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.024 -0.534 . . . . 1.6200000000000001 109.82 177.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.1 mt -94.78 108.63 38.87 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 109.565 -0.531 . . . . 0.59999999999999998 109.565 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 59' ' ' SER . 24.3 Cg_exo -62.99 139.84 75.8 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.6 2.2 . . . . 0.81000000000000005 111.802 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -61.36 -13.42 19.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.966 -0.561 . . . . 1.99 111.319 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -76.29 -60.59 2.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.099 -0.501 . . . . 2.4399999999999999 110.745 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.5 p -74.41 -15.76 16.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.25 0.548 . . . . 1.1399999999999999 111.233 -177.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.604 ' HB1' ' H5 ' ' A' ' 87' ' ' SXO . . . -61.69 -30.29 70.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.912 -0.585 . . . . 0.68000000000000005 110.979 177.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.31 30.41 8.72 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.734 -0.746 . . . . 0.77000000000000002 112.01 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -130.93 -17.22 3.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.847 0.356 . . . . 3.6299999999999999 110.946 -178.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.749 HG21 HD23 ' A' ' 74' ' ' LEU . 16.8 m -91.62 109.15 20.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.424 0.631 . . . . 0.94999999999999996 111.472 -176.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.402 ' O ' ' HA ' ' A' ' 34' ' ' ARG . 10.7 p-10 -92.89 -43.04 9.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 1.75 111.051 -178.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.535 ' OG1' ' HG2' ' A' ' 73' ' ' GLU . 75.5 p -102.33 146.85 33.08 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.749 0.309 . . . . 0.5 111.058 179.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.562 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 82.0 Cg_exo -51.37 -34.39 50.12 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.864 2.376 . . . . 0.38 111.548 170.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -54.34 -48.57 71.26 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.262 -0.426 . . . . 3.5600000000000001 110.702 174.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.535 ' HG2' ' OG1' ' A' ' 70' ' ' THR . 20.6 mm-40 -63.47 -44.92 93.02 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.217 0.532 . . . . 2.4300000000000002 110.164 179.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.749 HD23 HG21 ' A' ' 68' ' ' VAL . 2.3 tm? -61.48 -50.91 70.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.218 -0.901 . . . . 1.22 110.694 -177.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.3 tp -58.71 -48.83 79.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.858 -0.61 . . . . 1.1200000000000001 110.721 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -56.52 -42.01 77.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 1.4299999999999999 111.279 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.0 tp -61.37 -56.52 19.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.839 -0.619 . . . . 1.6599999999999999 111.183 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.9 mt -66.89 -44.29 88.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.058 -0.519 . . . . 0.40999999999999998 111.127 -176.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -61.03 -42.59 98.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.422 . . . . 1.6699999999999999 110.344 -177.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.82 -30.49 76.25 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 121.048 -0.596 . . . . 0.54000000000000004 112.653 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.87 -32.21 65.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.931 0.396 . . . . 0.72999999999999998 110.686 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.06 -23.14 63.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.095 -0.502 . . . . 0.87 111.022 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.67 -16.85 64.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 1.05 111.239 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -111.6 13.96 21.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 2.6699999999999999 110.669 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -117.78 17.59 14.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.177 0.513 . . . . 2.4500000000000002 110.356 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.92 0 CA-C-N 115.763 -0.653 . . . . 3.8199999999999998 110.084 -179.856 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SXO . . . . . 1.057 ' H28' ' HB2' ' A' ' 42' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.8 mtp . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 110.005 -0.368 . . . . 5.0199999999999996 110.005 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.24 138.53 45.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.888 0.375 . . . . 2.3199999999999998 111.207 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 m -82.4 105.87 13.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.064 -0.517 . . . . 2.1000000000000001 110.597 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 pp -157.09 -177.03 6.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.288 -0.415 . . . . 0.88 111.192 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.643 ' HG ' ' CE2' ' A' ' 56' ' ' TYR . 1.4 tt -79.96 128.45 33.48 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.943 -0.762 . . . . 1.0 108.943 -177.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 54.9 p -101.95 154.5 18.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.714 0.292 . . . . 1.21 110.602 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.7 m -57.97 -37.87 75.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.982 -0.554 . . . . 1.3 110.943 176.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -70.32 -40.18 74.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.292 -0.413 . . . . 2.1899999999999999 110.689 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.03 -41.73 97.12 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.1 0.476 . . . . 1.1200000000000001 110.387 174.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.426 HD12 HD13 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -58.73 -50.63 73.19 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.409 -0.814 . . . . 1.0800000000000001 109.743 177.092 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -55.49 -40.7 72.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.938 -0.574 . . . . 2.1699999999999999 111.236 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -62.54 -49.37 75.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.58 -0.282 . . . . 3.6600000000000001 110.947 176.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.67 -39.04 89.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.207 -0.451 . . . . 0.48999999999999999 111.959 -173.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.469 HD12 ' CZ ' ' A' ' 40' ' ' TYR . 3.8 mm? -60.26 -42.96 96.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.079 0.466 . . . . 0.79000000000000004 110.602 177.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.1 t -67.81 -51.64 48.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.869 -0.605 . . . . 0.70999999999999996 110.756 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -59.08 -30.15 67.87 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.903 -0.59 . . . . 1.49 111.794 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.504 ' HB2' ' HG3' ' A' ' 51' ' ' ARG . 9.9 t -84.75 -32.85 23.22 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.831 0.308 . . . . 1.25 111.831 -177.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HB2' ' HE1' ' A' ' 40' ' ' TYR . . . -106.06 -78.82 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.362 0.504 . . . . 1.6799999999999999 112.362 -174.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -150.35 143.11 10.28 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.796 -0.716 . . . . 2.1400000000000001 112.246 -175.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -79.98 84.4 5.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.015 0.436 . . . . 5.4699999999999998 111.625 -175.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.6 m 72.1 2.36 4.28 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.325 -0.852 . . . . 4.4699999999999998 112.16 174.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -131.8 111.19 11.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.999 -0.438 . . . . 4.4000000000000004 110.421 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.94 -62.0 0.65 Allowed Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 111.336 -0.706 . . . . 2.54 111.336 178.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.6 p -112.91 91.0 3.5 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.168 0.509 . . . . 3.02 110.594 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -74.15 93.98 2.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.818 -0.628 . . . . 2.7599999999999998 111.033 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 mp -107.01 30.46 6.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.265 -0.879 . . . . 1.6000000000000001 109.732 176.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.5 m -77.06 -4.78 46.01 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.695 -0.684 . . . . 2.0800000000000001 111.328 -176.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -107.38 -83.65 1.6 Allowed Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.135 -0.786 . . . . 1.8400000000000001 111.135 175.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -134.39 -177.58 4.66 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.21 -0.663 . . . . 2.77 109.21 174.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -167.94 -32.58 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.71 -0.223 . . . . 0.92000000000000004 110.791 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.834 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 95.2 mt -52.17 -35.95 50.28 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.81 0.67 . . . . 0.78000000000000003 112.81 -177.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -94.58 -13.82 25.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.817 0.341 . . . . 2.29 111.41 -173.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 98.0 mt -88.35 149.0 23.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.406 -0.361 . . . . 1.23 110.757 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.554 ' O ' HG12 ' A' ' 38' ' ' ILE . 42.2 mtp180 -74.43 143.62 44.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.673 -0.239 . . . . 2.8799999999999999 110.718 -177.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -54.39 -54.36 41.6 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.947 0.404 . . . . 0.58999999999999997 112.059 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.436 ' H ' ' HG3' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -63.62 -21.91 66.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.202 -0.453 . . . . 2.6000000000000001 112.09 -179.64 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -85.51 -27.03 25.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.927 0.394 . . . . 2.0299999999999998 110.935 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.558 HG13 ' HD2' ' A' ' 40' ' ' TYR . 19.2 pt -93.01 22.11 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.017 0.437 . . . . 0.67000000000000004 111.732 177.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.82 43.87 16.6 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.888 -0.596 . . . . 0.62 113.679 171.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.558 ' HD2' HG13 ' A' ' 38' ' ' ILE . 68.1 m-85 -126.82 114.04 17.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.1 0.476 . . . . 0.70999999999999996 110.686 175.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -71.89 163.85 27.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.534 -0.757 . . . . 1.9299999999999999 110.284 176.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.4 p -52.66 -45.37 66.7 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.991 -0.55 . . . . 0.91000000000000003 111.654 177.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.32 -43.79 98.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 1.3200000000000001 110.686 178.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.87 -32.69 74.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.22 0.533 . . . . 0.46999999999999997 110.957 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.483 ' HG ' ' H5 ' ' A' ' 87' ' ' SXO . 36.1 tp -69.97 -43.45 71.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.648 -0.705 . . . . 0.75 111.297 -178.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.6 ptm -66.59 -29.47 69.53 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.975 0.417 . . . . 1.26 109.951 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -64.97 -41.51 95.38 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.936 -0.575 . . . . 2.2000000000000002 110.7 174.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.493 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 23.2 m -64.46 -38.44 91.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.998 -0.546 . . . . 0.54000000000000004 110.607 179.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.44 ' HB2' ' H8A' ' A' ' 87' ' ' SXO . . . -57.9 -44.02 86.53 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.186 -0.461 . . . . 0.46000000000000002 110.91 176.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.93 75.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.871 -0.604 . . . . 0.48999999999999999 110.418 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.504 ' HG3' ' HB2' ' A' ' 17' ' ' SER . 14.6 mmt180 -59.31 -42.77 92.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.46 -0.791 . . . . 2.8599999999999999 110.878 177.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.58 HD22 HD11 ' A' ' 5' ' ' LEU . 91.5 mt -72.16 -47.78 48.32 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.819 -0.628 . . . . 0.56000000000000005 111.074 -177.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -61.59 -42.33 98.71 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.275 -0.421 . . . . 0.51000000000000001 111.561 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.9 m -67.21 -25.77 66.28 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.236 0.458 . . . . 1.4199999999999999 112.236 -177.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -85.13 -46.09 11.44 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.966 -0.294 . . . . 2.4199999999999999 111.405 -177.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.643 ' CE2' ' HG ' ' A' ' 5' ' ' LEU . 97.8 m-85 -95.6 -19.55 19.67 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.054 0.39 . . . . 1.0800000000000001 112.054 -175.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.38 38.52 45.15 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.65 -0.786 . . . . 0.57999999999999996 111.871 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.6 HG12 HD21 ' A' ' 82' ' ' LEU . 28.5 m -97.68 -176.43 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.89 0.376 . . . . 0.45000000000000001 111.208 -175.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.3 p -132.01 107.09 8.44 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.859 -0.609 . . . . 1.6200000000000001 110.279 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.2 mt -90.67 110.91 44.75 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.068 -0.514 . . . . 0.59999999999999998 109.954 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.89 119.33 6.33 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.728 2.285 . . . . 0.81000000000000005 111.398 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -65.26 -4.46 5.32 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.265 -0.425 . . . . 1.99 111.893 -175.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -73.1 -68.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.204 0.526 . . . . 2.4399999999999999 110.13 177.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 20.0 t -76.1 -17.04 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.605 -0.725 . . . . 1.1399999999999999 110.979 -177.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.499 ' O ' HG22 ' A' ' 68' ' ' VAL . . . -61.74 -33.21 73.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.68000000000000005 111.247 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -82.98 28.78 3.55 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.621 -0.799 . . . . 0.77000000000000002 112.626 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -137.4 4.03 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.679 0.239 . . . . 3.6299999999999999 111.226 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.608 HG21 HD23 ' A' ' 74' ' ' LEU . 16.5 m -94.77 110.61 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.47 0.652 . . . . 0.94999999999999996 110.759 178.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -90.84 -38.16 13.13 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.681 -0.69 . . . . 1.75 111.314 -174.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.9 p -115.41 150.62 44.86 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.08 -0.509 . . . . 0.5 110.885 -179.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.834 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 77.0 Cg_exo -54.66 -26.68 47.63 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.202 2.602 . . . . 0.38 112.727 175.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -54.44 -56.02 22.9 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.159 0.504 . . . . 3.5600000000000001 110.178 174.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -62.91 -41.31 99.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.321 -0.854 . . . . 2.4300000000000002 110.399 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.608 HD23 HG21 ' A' ' 68' ' ' VAL . 2.5 tm? -55.89 -53.97 50.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.875 -0.602 . . . . 1.22 110.439 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.426 HD13 HD12 ' A' ' 10' ' ' LEU . 58.7 tp -59.69 -52.51 65.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.917 -0.583 . . . . 1.1200000000000001 111.206 179.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.67 -35.71 78.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.965 -0.561 . . . . 1.4299999999999999 111.434 -175.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.43 -50.32 73.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.986 0.422 . . . . 1.6599999999999999 110.047 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 79.2 mt -70.28 -37.0 69.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.158 -0.474 . . . . 0.40999999999999998 110.653 -178.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -61.37 -43.46 98.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.601 -0.272 . . . . 1.6699999999999999 110.776 175.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.73 -36.77 93.21 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.372 -0.442 . . . . 0.54000000000000004 112.644 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.41 -45.24 66.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.069 0.461 . . . . 0.72999999999999998 110.917 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.6 HD21 HG12 ' A' ' 58' ' ' VAL . 77.5 mt -70.55 -32.23 69.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.95 -0.568 . . . . 0.87 111.504 -178.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.05 -21.62 66.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.305 -0.407 . . . . 1.05 111.808 -176.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -77.91 -19.17 55.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.351 -0.386 . . . . 2.6699999999999999 110.875 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -125.04 3.71 7.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.692 0.256 . . . . 2.4500000000000002 111.692 -176.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.375 -0.821 . . . . 3.8199999999999998 110.627 179.787 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SXO . . . . . 0.648 ' H30' HN36 ' A' ' 87' ' ' SXO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 110.472 -0.196 . . . . 5.0199999999999996 110.472 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 72.69 168.39 0.31 Allowed 'General case' 0 N--CA 1.465 0.324 0 O-C-N 124.061 0.85 . . . . 2.3199999999999998 111.692 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.1 p -86.41 107.06 17.86 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.605 -0.725 . . . . 2.1000000000000001 110.424 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 63.4 mt -137.91 -177.1 4.66 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.637 -0.505 . . . . 0.88 109.637 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.614 HD11 HD22 ' A' ' 52' ' ' LEU . 1.6 tt -80.73 123.5 28.25 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.371 -0.974 . . . . 1.0 108.371 178.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.449 ' H ' ' HB2' ' A' ' 9' ' ' ASP . 47.7 p -122.78 -178.21 3.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 1.21 111.756 -176.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.9 m -58.06 -55.93 28.59 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.714 -0.675 . . . . 1.3 111.216 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.447 ' O ' ' HB3' ' A' ' 11' ' ' ARG . 36.0 t70 -61.97 -35.63 79.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.828 -0.624 . . . . 2.1899999999999999 110.858 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.449 ' HB2' ' H ' ' A' ' 6' ' ' THR . 22.0 m-20 -65.3 -45.24 85.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.313 -0.403 . . . . 1.1200000000000001 110.89 177.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.419 HD21 ' HB3' ' A' ' 71' ' ' PRO . 43.1 tp -62.28 -36.8 83.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.111 0.482 . . . . 1.0800000000000001 109.874 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.447 ' HB3' ' O ' ' A' ' 8' ' ' ASP . 40.3 ttm180 -54.21 -25.94 25.72 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.327 -0.851 . . . . 2.1699999999999999 111.674 177.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.891 ' HA ' ' HE ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -80.82 -44.67 18.11 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.715 0.265 . . . . 3.6600000000000001 111.715 -179.045 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.26 86.83 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 112.369 0.507 . . . . 0.48999999999999999 112.369 -171.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.532 HD13 HG21 ' A' ' 48' ' ' THR . 4.0 mm? -64.21 -32.63 74.28 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.389 0.614 . . . . 0.79000000000000004 110.646 178.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 19' ' ' GLY . 90.4 t -79.22 -37.33 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.818 -0.628 . . . . 0.70999999999999996 110.724 -178.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 52.5 mt-10 -57.1 -46.82 82.28 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.056 0.455 . . . . 1.49 111.303 178.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 p -87.19 -42.38 13.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.452 -0.795 . . . . 1.25 112.84 -171.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB3' ' HE1' ' A' ' 40' ' ' TYR . . . -121.18 -58.24 1.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.366 0.876 . . . . 1.6799999999999999 113.366 -169.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.453 ' O ' HG13 ' A' ' 15' ' ' VAL . . . -80.99 60.67 4.65 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.796 -0.716 . . . . 2.1400000000000001 114.059 -170.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -79.84 100.76 8.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 117.15 0.475 . . . . 5.4699999999999998 110.323 176.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.5 p 50.48 38.0 17.27 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.124 0.786 . . . . 4.4699999999999998 113.124 175.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -105.87 122.51 46.27 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.859 -0.61 . . . . 4.4000000000000004 109.684 177.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.49 60.24 3.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.084 -0.579 . . . . 2.54 112.858 -176.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.4 t -87.07 -168.0 2.09 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.591 -0.522 . . . . 3.02 109.591 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -110.37 92.67 4.14 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.543 -0.54 . . . . 2.7599999999999998 109.543 178.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.2 tp -135.62 -9.36 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.273 -0.876 . . . . 1.6000000000000001 111.201 -175.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.7 m -86.95 81.18 8.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.11 0.481 . . . . 2.0800000000000001 110.852 -175.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -172.52 -157.76 15.13 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.542 -0.623 . . . . 1.8400000000000001 111.542 178.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -81.54 81.63 7.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.924 0.869 . . . . 2.77 110.366 178.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -79.98 -17.37 53.09 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.192 -0.913 . . . . 0.92000000000000004 111.997 -174.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.548 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 52.7 mt -54.21 -41.26 68.43 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.565 0.58 . . . . 0.78000000000000003 112.565 -175.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -98.5 4.07 48.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.011 0.434 . . . . 2.29 111.284 -176.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.9 mt -92.79 137.1 32.66 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.275 -0.639 . . . . 1.23 109.275 173.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -71.7 152.24 42.96 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.644 -0.422 . . . . 2.8799999999999999 110.664 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -55.86 -34.9 65.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.326 0.584 . . . . 0.58999999999999997 109.563 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -58.05 -31.97 67.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 114.899 -1.046 . . . . 2.6000000000000001 111.611 175.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -83.62 -39.33 20.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.922 0.391 . . . . 2.0299999999999998 110.656 -174.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.475 HG13 ' HD2' ' A' ' 40' ' ' TYR . 17.1 pt -89.0 14.9 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.0 -0.545 . . . . 0.67000000000000004 112.193 -175.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.03 31.17 66.94 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 121.378 -0.439 . . . . 0.62 113.796 174.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.475 ' HD2' HG13 ' A' ' 38' ' ' ILE . 51.7 m-85 -113.41 106.95 15.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.142 0.496 . . . . 0.70999999999999996 110.411 177.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -86.7 179.63 6.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.575 -0.738 . . . . 1.9299999999999999 111.594 -177.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.6 p -50.28 -57.85 6.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.919 -1.037 . . . . 0.91000000000000003 112.71 -177.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.2 tp -58.71 -47.82 83.23 Favored 'General case' 0 C--N 1.334 -0.07 0 CA-C-N 116.412 -0.358 . . . . 1.3200000000000001 111.217 -176.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.46 -39.53 93.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.046 0.451 . . . . 0.46999999999999997 110.778 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.1 tp -64.88 -42.27 94.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.821 -0.627 . . . . 0.75 111.398 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.435 ' HB3' ' H3A' ' A' ' 87' ' ' SXO . 23.7 ptm -69.39 -30.18 68.09 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.25 -0.58 . . . . 1.26 110.792 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.9 -43.64 82.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.851 0.358 . . . . 2.2000000000000002 110.082 174.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.532 HG21 HD13 ' A' ' 14' ' ' LEU . 53.9 m -63.32 -37.83 88.78 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.238 -0.437 . . . . 0.54000000000000004 110.814 175.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.426 ' HB2' ' H8B' ' A' ' 87' ' ' SXO . . . -55.72 -39.92 71.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.46000000000000002 111.619 178.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.28 -31.69 71.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.257 0.551 . . . . 0.48999999999999999 110.514 -178.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -64.57 -44.53 90.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.111 -0.949 . . . . 2.8599999999999999 110.313 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.614 HD22 HD11 ' A' ' 5' ' ' LEU . 76.1 mt -66.92 -46.57 74.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.56000000000000005 110.566 -177.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.552 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 63.4 mt-10 -59.81 -53.28 59.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.51000000000000001 110.646 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.7 t -63.41 -39.44 94.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.985 -0.552 . . . . 1.4199999999999999 111.717 -175.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 55' ' ' ARG . 39.5 ttt180 -67.64 -44.77 77.15 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.722 0.267 . . . . 2.4199999999999999 111.722 -175.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.475 ' CE1' ' HG ' ' A' ' 5' ' ' LEU . 88.6 m-85 -95.51 -20.24 19.18 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.959 0.355 . . . . 1.0800000000000001 111.959 -174.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.22 36.54 10.83 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.402 -0.904 . . . . 0.57999999999999996 111.772 -177.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.552 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 33.8 m -107.87 -170.32 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.637 0.256 . . . . 0.45000000000000001 111.101 -178.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.6 t -156.23 127.54 7.09 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.118 -0.697 . . . . 1.6200000000000001 109.118 177.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.3 mt -96.7 122.31 57.34 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.173 -0.467 . . . . 0.59999999999999998 110.626 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -58.02 128.11 27.59 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.814 2.343 . . . . 0.81000000000000005 111.621 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -64.89 -11.47 38.13 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.354 0.502 . . . . 1.99 112.354 -175.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -78.62 -44.91 22.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.267 0.556 . . . . 2.4399999999999999 110.158 173.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.505 HG11 ' HG ' ' A' ' 77' ' ' LEU . 21.5 t -74.79 -19.37 16.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.788 -0.642 . . . . 1.1399999999999999 111.169 -175.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.66 -30.09 67.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.071 -0.513 . . . . 0.68000000000000005 111.326 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -106.45 19.65 36.33 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.486 -0.864 . . . . 0.77000000000000002 112.303 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -105.34 -19.81 13.68 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.924 0.342 . . . . 3.6299999999999999 111.924 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 28.3 m -89.89 171.71 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.829 -0.348 . . . . 0.94999999999999996 111.697 -174.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -144.64 -31.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.804 -0.635 . . . . 1.75 110.45 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.5 p -127.72 149.75 71.29 Favored Pre-proline 0 C--O 1.238 0.481 0 CA-C-N 115.683 -0.689 . . . . 0.5 111.18 -177.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.548 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 72.7 Cg_exo -52.48 -42.49 61.11 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.259 2.64 . . . . 0.38 112.805 176.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -54.1 -51.86 62.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 3.5600000000000001 111.052 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -65.84 -43.62 87.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.02 -0.536 . . . . 2.4300000000000002 110.998 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.427 HD11 ' H8A' ' A' ' 87' ' ' SXO . 2.9 tt -57.06 -44.59 83.15 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.017 -0.538 . . . . 1.22 110.012 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.517 ' HG ' ' OD1' ' A' ' 79' ' ' ASN . 27.9 tp -55.77 -41.19 73.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.497 -0.774 . . . . 1.1200000000000001 111.52 -177.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -60.04 -33.74 72.45 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.122 -0.49 . . . . 1.4299999999999999 111.447 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.505 ' HG ' HG11 ' A' ' 64' ' ' VAL . 4.4 mm? -63.48 -45.26 91.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.502 -0.317 . . . . 1.6599999999999999 111.251 -178.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 24.5 mt -78.73 -37.21 20.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.549 -0.296 . . . . 0.40999999999999998 110.446 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.517 ' OD1' ' HG ' ' A' ' 75' ' ' LEU . 9.1 m120 -61.25 -46.39 90.57 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.667 0.27 . . . . 1.6699999999999999 110.692 177.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.486 ' O ' ' HG2' ' A' ' 84' ' ' GLU . . . -61.67 -38.94 96.72 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.193 -0.527 . . . . 0.54000000000000004 112.446 -177.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.92 -33.98 72.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.99 0.424 . . . . 0.72999999999999998 111.056 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.6 mt -75.75 -34.08 60.26 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.824 -0.626 . . . . 0.87 110.949 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.31 -44.3 92.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.27 -0.423 . . . . 1.05 111.611 -178.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 80' ' ' GLY . 10.2 pt-20 -91.41 17.94 7.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.822 0.344 . . . . 2.6699999999999999 111.261 -177.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -98.87 6.5 46.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.95 0.405 . . . . 2.4500000000000002 110.715 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 119.04 -0.505 . . . . 3.8199999999999998 110.232 -178.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SXO . . . . . 0.435 ' H3A' ' HB3' ' A' ' 46' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.0 mtp . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 120.459 0.171 . . . . 5.0199999999999996 111.373 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.95 163.64 15.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.904 0.383 . . . . 2.3199999999999998 111.809 -174.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.98 106.28 7.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.65 -0.705 . . . . 2.1000000000000001 110.989 177.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 68.0 mt -80.57 155.83 26.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.773 -0.649 . . . . 0.88 110.747 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.593 HD11 HD22 ' A' ' 52' ' ' LEU . 2.2 tt -83.33 121.83 27.66 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.165 -1.05 . . . . 1.0 108.165 174.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.8 p -121.96 -179.16 4.05 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.357 -0.537 . . . . 1.21 111.373 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.5 m -58.12 -34.43 70.21 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.357 -0.383 . . . . 1.3 111.186 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -68.92 -42.49 76.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.982 0.42 . . . . 2.1899999999999999 110.585 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -63.14 -45.56 91.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.806 -0.633 . . . . 1.1200000000000001 110.136 177.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.6 tp -61.84 -40.1 94.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.469 -0.787 . . . . 1.0800000000000001 110.281 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 11' ' ' ARG . 16.8 ttp180 -53.27 -40.19 64.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.927 -0.579 . . . . 2.1699999999999999 111.227 178.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -77.3 -37.81 51.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.642 -0.254 . . . . 3.6600000000000001 111.368 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.48 -35.51 76.07 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.164 0.431 . . . . 0.48999999999999999 112.164 -174.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.402 HD12 ' CE1' ' A' ' 40' ' ' TYR . 4.4 mm? -73.79 -26.49 60.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.942 0.401 . . . . 0.79000000000000004 110.995 179.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.4 t -86.28 -24.81 6.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.953 0.406 . . . . 0.70999999999999996 111.013 -178.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -85.5 -20.31 29.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.876 0.37 . . . . 1.49 110.893 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.468 ' HB3' ' HG3' ' A' ' 51' ' ' ARG . 11.6 p -88.93 -63.51 1.28 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.23 -0.441 . . . . 1.25 111.056 177.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.87 -64.28 1.2 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 1.6799999999999999 110.532 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.86 166.85 41.88 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.87 -0.605 . . . . 2.1400000000000001 113.894 174.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 59.45 90.44 0.05 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.59 0.756 . . . . 5.4699999999999998 112.521 177.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.2 p -101.41 77.69 1.8 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.086 0.47 . . . . 4.4699999999999998 110.734 177.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -73.38 -32.56 64.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.85 -0.614 . . . . 4.4000000000000004 111.038 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -156.64 54.07 0.41 Allowed Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 111.411 -0.676 . . . . 2.54 111.411 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.426 HG22 ' CD1' ' A' ' 26' ' ' LEU . 7.4 m -150.25 87.29 1.45 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.98 0.419 . . . . 3.02 109.898 -175.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.0 100.33 7.25 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.439 0.533 . . . . 2.7599999999999998 112.439 -175.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.426 ' CD1' HG22 ' A' ' 24' ' ' THR . 8.9 mp -103.75 19.35 20.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.893 -0.594 . . . . 1.6000000000000001 109.556 170.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 t -102.87 29.91 5.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.848 -0.615 . . . . 2.0800000000000001 109.99 -177.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -151.85 -152.17 5.84 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.735 -0.666 . . . . 1.8400000000000001 111.843 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.2 82.53 2.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.526 0.203 . . . . 2.77 110.692 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -107.61 -9.66 15.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.658 0.266 . . . . 0.92000000000000004 110.829 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.677 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 93.3 mt -54.42 -25.13 22.99 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 112.572 0.582 . . . . 0.78000000000000003 112.572 -178.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -93.61 -18.17 22.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.976 0.417 . . . . 2.29 111.724 -171.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.8 mt -92.03 158.17 16.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.333 -0.394 . . . . 1.23 110.776 -177.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -71.83 142.19 49.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.489 0.185 . . . . 2.8799999999999999 111.353 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -53.62 -53.8 46.66 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.152 -0.476 . . . . 0.58999999999999997 110.928 174.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -60.17 -23.95 64.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.484 -0.78 . . . . 2.6000000000000001 111.684 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -83.9 -28.43 27.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.326 -0.397 . . . . 2.0299999999999998 111.102 -173.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.504 HG13 ' HD2' ' A' ' 40' ' ' TYR . 29.7 pt -90.19 18.05 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.06 0.457 . . . . 0.67000000000000004 111.467 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.99 39.52 4.56 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 120.99 -0.624 . . . . 0.62 113.723 172.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.504 ' HD2' HG13 ' A' ' 38' ' ' ILE . 64.3 m-85 -125.4 160.18 30.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.121 0.46 . . . . 0.70999999999999996 110.886 177.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -123.31 159.73 28.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.516 -0.765 . . . . 1.9299999999999999 109.071 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.992 ' HB2' ' H28' ' A' ' 87' ' ' SXO . 0.2 OUTLIER -49.67 -41.58 43.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.588 0.555 . . . . 0.91000000000000003 111.665 175.153 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.559 ' O ' ' HG3' ' A' ' 46' ' ' MET . 60.7 tp -57.78 -57.33 13.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 1.3200000000000001 111.128 177.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.63 -36.84 84.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.764 0.316 . . . . 0.46999999999999997 111.049 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.5 tp -62.26 -49.01 77.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.203 -0.453 . . . . 0.75 111.088 -178.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.559 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 5.0 ppp? -67.18 -35.92 80.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.628 -0.26 . . . . 1.26 111.1 -178.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -65.29 -35.12 80.05 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.885 0.374 . . . . 2.2000000000000002 110.622 176.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 57.6 m -64.5 -34.32 77.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.262 -0.426 . . . . 0.54000000000000004 111.392 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.2 -42.35 77.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.941 0.4 . . . . 0.46000000000000002 111.223 -178.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.62 -27.08 68.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.847 -0.615 . . . . 0.48999999999999999 110.794 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.854 ' HE ' ' HA ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -71.04 -37.58 72.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.74 -0.664 . . . . 2.8599999999999999 110.687 -179.599 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.593 HD22 HD11 ' A' ' 5' ' ' LEU . 88.4 mt -71.43 -48.1 51.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.044 0.45 . . . . 0.56000000000000005 110.253 178.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.582 ' HA ' HG22 ' A' ' 58' ' ' VAL . 41.9 mt-10 -59.66 -45.27 92.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.399 -0.819 . . . . 0.51000000000000001 111.494 -177.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.8 p -64.92 -33.37 75.87 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.278 0.473 . . . . 1.4199999999999999 112.278 -178.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -71.6 -46.69 58.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.342 . . . . 2.4199999999999999 111.667 -177.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -97.72 -17.32 19.48 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.899 0.333 . . . . 1.0800000000000001 111.899 -172.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.48 40.63 12.61 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.522 -0.847 . . . . 0.57999999999999996 111.724 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.582 HG22 ' HA ' ' A' ' 53' ' ' GLU . 34.9 m -108.85 -170.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.45000000000000001 111.418 -177.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.499 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . 64.6 m -153.05 130.36 11.29 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.916 -0.584 . . . . 1.6200000000000001 109.513 175.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.496 HG22 ' HB2' ' A' ' 65' ' ' ALA . 60.0 mt -95.06 119.49 65.72 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.554 -0.294 . . . . 0.59999999999999998 110.703 -178.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 19.4 Cg_exo -66.44 140.73 58.78 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.989 2.459 . . . . 0.81000000000000005 112.674 -177.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -58.62 -27.05 64.34 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.603 -0.726 . . . . 1.99 112.388 -176.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 4.5 m-20 -74.75 -60.79 2.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.736 0.303 . . . . 2.4399999999999999 111.271 -175.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.901 HG11 ' HG ' ' A' ' 77' ' ' LEU . 5.4 t -72.9 -23.43 20.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.941 -0.304 . . . . 1.1399999999999999 111.487 -173.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.496 ' HB2' HG22 ' A' ' 60' ' ' ILE . . . -60.13 -38.51 83.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.085 0.469 . . . . 0.68000000000000005 111.651 -177.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -91.3 -0.71 73.15 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.598 -0.81 . . . . 0.77000000000000002 112.559 -177.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 92.9 mtt180 -102.26 1.49 35.88 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 121.062 -0.255 . . . . 3.6299999999999999 111.669 -177.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.9 m -87.68 168.38 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.593 -0.443 . . . . 0.94999999999999996 110.587 178.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -149.48 -50.27 0.14 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.48 0.657 . . . . 1.75 109.624 -177.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 34.8 p -105.38 149.9 38.31 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 114.942 -1.026 . . . . 0.5 111.009 176.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.677 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 53.2 Cg_exo -56.8 -32.68 92.42 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.467 2.778 . . . . 0.38 112.609 177.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.456 ' HD3' ' C ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -56.11 -51.78 66.68 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.281 0.363 . . . . 3.5600000000000001 110.254 179.507 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.407 ' HG2' ' OG1' ' A' ' 70' ' ' THR . 10.2 mm-40 -66.9 -41.67 86.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.353 -0.385 . . . . 2.4300000000000002 110.834 -177.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.1 tp -57.0 -53.37 58.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.064 -0.516 . . . . 1.22 110.273 176.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.0 tp -58.28 -48.02 81.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.778 -0.646 . . . . 1.1200000000000001 110.74 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -57.63 -46.3 84.31 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.12 -0.491 . . . . 1.4299999999999999 111.273 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.901 ' HG ' HG11 ' A' ' 64' ' ' VAL . 3.1 tm? -62.55 -45.36 93.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.231 -0.441 . . . . 1.6599999999999999 110.135 -179.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.417 ' O ' HD23 ' A' ' 82' ' ' LEU . 62.0 mt -67.98 -34.84 69.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.40999999999999998 110.361 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.6 -41.57 98.32 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.677 0.275 . . . . 1.6699999999999999 110.742 175.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -60.75 -34.1 85.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.169 -0.539 . . . . 0.54000000000000004 112.094 176.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.2 -47.29 44.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.618 0.247 . . . . 0.72999999999999998 110.56 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 78' ' ' ILE . 2.7 mm? -62.52 -32.42 73.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.87 111.326 178.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.2 -49.27 70.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.324 -0.398 . . . . 1.05 110.826 175.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -83.35 7.78 15.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.328 -0.396 . . . . 2.6699999999999999 111.248 -177.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.43 -27.62 61.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.101 0.476 . . . . 2.4500000000000002 110.344 178.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 CA-C-N 115.65 -0.704 . . . . 3.8199999999999998 109.902 178.26 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SXO . . . . . 0.992 ' H28' ' HB2' ' A' ' 42' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.5 mmm . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 120.34 0.114 . . . . 5.0199999999999996 110.744 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.83 84.88 0.15 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.724 0.64 . . . . 2.3199999999999998 111.428 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.8 m -94.24 105.2 17.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.862 -0.608 . . . . 2.1000000000000001 110.769 -178.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.1 mt -83.27 164.96 19.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.094 -0.503 . . . . 0.88 110.504 175.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.494 HD11 HD13 ' A' ' 52' ' ' LEU . 3.5 tt -83.28 123.32 29.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.759 -0.83 . . . . 1.0 108.759 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.2 p -120.04 -174.41 2.76 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.555 -0.458 . . . . 1.21 112.196 -178.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.522 HG22 HD11 ' A' ' 31' ' ' LEU . 1.6 p -55.81 -56.53 19.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.496 -0.775 . . . . 1.3 111.833 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.89 -38.76 79.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.85 -1.068 . . . . 2.1899999999999999 110.689 -178.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -64.33 -44.97 89.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.641 -0.708 . . . . 1.1200000000000001 111.175 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.565 HD11 ' HB3' ' A' ' 71' ' ' PRO . 0.9 OUTLIER -54.99 -50.19 69.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.592 -0.731 . . . . 1.0800000000000001 109.632 -178.637 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -52.84 -42.44 65.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.419 -0.809 . . . . 2.1699999999999999 111.382 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 -63.47 -40.47 97.21 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 115.805 -0.634 . . . . 3.6600000000000001 111.755 -177.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.468 ' HB2' HD21 ' A' ' 52' ' ' LEU . . . -60.01 -37.72 80.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.744 0.307 . . . . 0.48999999999999999 110.685 -175.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.3 mm? -65.7 -48.37 72.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.976 -0.556 . . . . 0.79000000000000004 110.933 178.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.4 t -67.86 -49.48 68.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.08 -0.509 . . . . 0.70999999999999996 111.429 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -63.02 -23.84 67.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.376 -0.375 . . . . 1.49 111.433 -177.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.2 t -82.62 -62.9 1.48 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.559 -0.291 . . . . 1.25 110.851 178.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.09 -57.5 4.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.304 -0.407 . . . . 1.6799999999999999 111.319 -174.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.3 130.64 5.48 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.522 -0.847 . . . . 2.1400000000000001 112.624 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 65.71 -179.48 0.19 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.234 0.613 . . . . 5.4699999999999998 112.177 178.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 p -129.23 85.46 2.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.685 -0.689 . . . . 4.4699999999999998 110.738 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -61.69 -54.66 39.61 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.038 -0.528 . . . . 4.4000000000000004 111.502 -176.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.424 ' O ' ' HB ' ' A' ' 24' ' ' THR . . . 149.7 124.29 1.27 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.443 -0.884 . . . . 2.54 112.643 178.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 23' ' ' GLY . 14.7 t 177.68 -167.64 0.06 Allowed 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.721 -0.474 . . . . 3.02 109.721 178.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.84 96.09 10.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.035 -0.357 . . . . 2.7599999999999998 110.035 176.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 26' ' ' LEU . 39.6 tp -149.21 5.83 0.65 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.065 0.46 . . . . 1.6000000000000001 110.771 -177.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.8 t -82.04 -1.21 47.67 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.186 0.517 . . . . 2.0800000000000001 110.89 -176.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 171.52 -46.56 0.18 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.611 -0.804 . . . . 1.8400000000000001 112.004 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.49 99.01 11.96 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.741 -0.466 . . . . 2.77 109.741 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -148.07 -31.74 0.28 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.241 0.46 . . . . 0.92000000000000004 112.241 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.639 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 72.0 mt -55.62 -27.58 50.4 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.584 0.587 . . . . 0.78000000000000003 112.584 -178.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -92.21 -19.13 22.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.636 0.255 . . . . 2.29 111.58 -173.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -89.05 143.07 27.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.461 -0.336 . . . . 1.23 110.386 -176.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -70.77 145.53 50.36 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.595 -0.52 . . . . 2.8799999999999999 109.595 177.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -52.54 -40.87 62.98 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.976 0.417 . . . . 0.58999999999999997 111.434 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -60.03 -33.09 71.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.884 -0.598 . . . . 2.6000000000000001 111.107 178.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -84.66 -23.94 29.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.818 -0.628 . . . . 2.0299999999999998 110.339 -170.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.497 HG13 ' HD1' ' A' ' 40' ' ' TYR . 21.3 pt -90.85 9.4 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.67000000000000004 110.869 176.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.86 26.21 35.53 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.928 -0.653 . . . . 0.62 114.378 170.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.497 ' HD1' HG13 ' A' ' 38' ' ' ILE . 59.3 m-85 -105.11 115.0 29.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 117.835 0.817 . . . . 0.70999999999999996 111.016 178.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.2 179.62 7.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.947 -1.024 . . . . 1.9299999999999999 111.292 -175.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 63.7 p -50.78 -60.42 3.07 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.368 -0.833 . . . . 0.91000000000000003 111.657 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' ' HG3' ' A' ' 46' ' ' MET . 58.3 tp -53.38 -51.01 63.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.454 -0.794 . . . . 1.3200000000000001 111.434 -179.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.87 97.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.118 -0.492 . . . . 0.46999999999999997 111.464 -175.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.4 tp -68.21 -43.22 78.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.163 -0.472 . . . . 0.75 111.599 -176.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.434 ' HG3' ' O ' ' A' ' 43' ' ' LEU . 4.7 ppp? -70.66 -31.75 68.78 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.762 -0.375 . . . . 1.26 111.07 -176.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -66.44 -37.14 84.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.054 0.454 . . . . 2.2000000000000002 110.661 173.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.499 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 37.7 m -61.62 -39.12 90.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.724 -0.671 . . . . 0.54000000000000004 110.715 178.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.44 -48.24 79.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.46000000000000002 110.922 177.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.38 -30.3 70.45 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.893 -0.594 . . . . 0.48999999999999999 110.718 -177.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.499 ' HB2' ' O ' ' A' ' 48' ' ' THR . 23.1 mmm180 -58.48 -55.16 38.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.754 -0.657 . . . . 2.8599999999999999 110.81 176.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.494 HD13 HD11 ' A' ' 5' ' ' LEU . 90.2 mt -64.58 -43.0 95.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.462 -0.335 . . . . 0.56000000000000005 111.152 -176.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.61 ' HA ' HG22 ' A' ' 58' ' ' VAL . 46.9 mt-10 -58.02 -56.48 21.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.51000000000000001 110.891 -178.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.8 m -67.75 -27.25 66.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.008 -0.542 . . . . 1.4199999999999999 111.695 -177.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 51' ' ' ARG . 33.0 ttt180 -72.16 -46.89 54.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 2.4199999999999999 111.419 -175.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -94.24 -21.5 19.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.556 -0.293 . . . . 1.0800000000000001 111.433 -177.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.13 47.93 3.71 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.707 -0.758 . . . . 0.57999999999999996 111.355 -175.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.61 HG22 ' HA ' ' A' ' 53' ' ' GLU . 17.9 m -124.41 -171.55 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.767 0.317 . . . . 0.45000000000000001 110.652 -178.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.8 m -151.57 132.77 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.555 -0.535 . . . . 1.6200000000000001 109.555 174.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 67.5 mt -94.59 124.64 54.46 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 110.257 -0.275 . . . . 0.59999999999999998 110.257 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.503 ' HB2' ' HB ' ' A' ' 64' ' ' VAL . 50.9 Cg_exo -55.42 133.39 57.83 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.925 2.416 . . . . 0.81000000000000005 111.967 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.2 -53.1 58.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.675 -0.693 . . . . 1.99 112.319 -171.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -79.91 -31.13 40.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.785 0.326 . . . . 2.4399999999999999 111.738 -174.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.503 ' HB ' ' HB2' ' A' ' 61' ' ' PRO . 30.7 t -74.65 -18.86 16.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.983 0.42 . . . . 1.1399999999999999 110.555 -178.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.538 ' HB1' ' H4A' ' A' ' 87' ' ' SXO . . . -62.45 -29.56 70.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.167 0.508 . . . . 0.68000000000000005 111.16 178.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.81 20.2 40.55 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.091 -0.576 . . . . 0.77000000000000002 112.395 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.421 ' HA ' ' NE ' ' A' ' 67' ' ' ARG . 4.6 mmp_? -117.66 26.87 9.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.593 0.235 . . . . 3.6299999999999999 110.746 -178.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.762 HG21 HD23 ' A' ' 74' ' ' LEU . 13.8 m -136.3 107.36 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.321 0.582 . . . . 0.94999999999999996 110.951 -178.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -91.89 -42.07 10.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 1.75 111.181 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.443 ' OG1' ' HG2' ' A' ' 73' ' ' GLU . 69.9 p -105.87 142.68 25.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.318 -0.401 . . . . 0.5 110.952 -179.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.639 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 86.9 Cg_exo -52.33 -33.46 55.94 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 123.291 2.661 . . . . 0.38 112.883 177.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -53.99 -52.98 59.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.368 -0.378 . . . . 3.5600000000000001 111.021 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.443 ' HG2' ' OG1' ' A' ' 70' ' ' THR . 20.4 mm-40 -67.23 -40.98 86.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.779 -0.646 . . . . 2.4300000000000002 110.448 -178.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.762 HD23 HG21 ' A' ' 68' ' ' VAL . 3.2 tm? -59.16 -45.52 90.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 1.22 110.097 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 tt -57.99 -46.08 85.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.764 -0.653 . . . . 1.1200000000000001 110.366 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -67.25 -37.7 83.95 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.069 -0.514 . . . . 1.4299999999999999 111.034 -178.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.92 -48.44 81.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.19 -0.459 . . . . 1.6599999999999999 111.016 -178.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.4 mt -68.26 -38.0 78.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.258 -0.428 . . . . 0.40999999999999998 110.641 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -63.78 -38.39 90.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.446 -0.343 . . . . 1.6699999999999999 110.797 177.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.74 -35.12 91.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.261 -0.495 . . . . 0.54000000000000004 112.365 178.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.4 -27.82 62.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.72999999999999998 110.598 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.6 mt -78.57 -39.33 37.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.269 -0.423 . . . . 0.87 110.365 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.06 -12.87 42.83 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.972 -0.558 . . . . 1.05 111.046 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -63.05 -52.46 62.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.682 -0.69 . . . . 2.6699999999999999 110.613 175.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.63 2.67 33.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.98 -0.554 . . . . 2.4500000000000002 111.548 -174.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.586 -0.721 . . . . 3.8199999999999998 110.588 -178.268 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SXO . . . . . 0.538 ' H4A' ' HB1' ' A' ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ptp . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 110.193 -0.299 . . . . 5.0199999999999996 110.193 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.57 151.27 41.38 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.098 -0.501 . . . . 2.3199999999999998 110.226 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.421 ' HB ' ' HE1' ' A' ' 56' ' ' TYR . 16.0 p -73.54 104.15 4.41 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.868 0.366 . . . . 2.1000000000000001 111.176 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.8 mt -85.03 176.08 8.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.693 -0.685 . . . . 0.88 110.264 176.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.632 HD11 HD13 ' A' ' 52' ' ' LEU . 6.5 tt -90.61 122.09 33.1 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.707 -0.849 . . . . 1.0 108.707 175.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.2 t -114.79 169.82 8.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.016 0.436 . . . . 1.21 111.269 -178.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -56.82 -39.62 74.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.483 -0.781 . . . . 1.3 112.019 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -60.53 -45.99 91.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.861 -0.609 . . . . 2.1899999999999999 110.605 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -65.1 -38.95 92.34 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.903 -0.59 . . . . 1.1200000000000001 111.229 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.465 HD21 ' HB3' ' A' ' 71' ' ' PRO . 20.5 tp -60.67 -45.75 92.96 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.318 -0.401 . . . . 1.0800000000000001 110.068 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -56.46 -49.72 73.8 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.137 -0.483 . . . . 2.1699999999999999 111.855 178.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -71.43 -30.28 65.88 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.832 0.308 . . . . 3.6600000000000001 111.832 -176.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.48 -36.6 80.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.606 -0.27 . . . . 0.48999999999999999 111.633 -174.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.663 HD21 ' H8 ' ' A' ' 87' ' ' SXO . 4.4 mm? -66.27 -27.32 67.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.158 0.504 . . . . 0.79000000000000004 110.904 179.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.7 t -86.72 -32.93 6.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.071 -0.513 . . . . 0.70999999999999996 110.566 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -78.21 -12.71 60.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.735 -0.666 . . . . 1.49 111.671 -178.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.533 ' HB3' ' HA ' ' A' ' 48' ' ' THR . 13.8 p -85.09 -62.3 1.57 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.784 0.326 . . . . 1.25 110.831 175.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.53 -65.2 1.04 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 1.6799999999999999 111.576 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.52 154.98 25.36 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.097 -0.573 . . . . 2.1400000000000001 111.876 -178.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 63.78 -166.5 0.23 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 122.469 0.308 . . . . 5.4699999999999998 110.866 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.1 p 59.69 51.17 6.47 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.846 0.831 . . . . 4.4699999999999998 111.946 176.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -80.89 78.37 7.69 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.637 -1.165 . . . . 4.4000000000000004 109.912 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.47 64.71 0.23 Allowed Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.198 -1.001 . . . . 2.54 112.993 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.501 HG23 ' HG ' ' A' ' 26' ' ' LEU . 7.4 t -164.21 170.45 16.3 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.52 -0.548 . . . . 3.02 109.52 176.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -99.73 85.58 3.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.55 0.691 . . . . 2.7599999999999998 111.807 -175.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.501 ' HG ' HG23 ' A' ' 24' ' ' THR . 95.1 mt -102.28 7.55 40.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.321 -0.854 . . . . 1.6000000000000001 108.996 172.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 p -98.76 18.26 17.4 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.853 -1.067 . . . . 2.0800000000000001 112.578 -172.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 173.04 133.86 1.73 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 119.545 -1.312 . . . . 1.8400000000000001 113.592 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 55.12 29.15 12.02 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.193 0.812 . . . . 2.77 113.193 172.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -83.55 -20.8 33.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.474 -0.33 . . . . 0.92000000000000004 111.207 -175.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.577 ' HA ' ' HB2' ' A' ' 71' ' ' PRO . 44.8 mt -58.37 -28.01 64.75 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.188 0.44 . . . . 0.78000000000000003 112.188 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -93.49 -18.69 22.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.233 0.539 . . . . 2.29 110.781 -176.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.5 mt -85.24 132.43 34.27 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.937 -0.574 . . . . 1.23 109.922 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -69.0 154.39 42.15 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.098 -0.334 . . . . 2.8799999999999999 110.098 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.408 ' HA ' HG12 ' A' ' 38' ' ' ILE . 55.7 m-85 -53.76 -26.29 22.85 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.209 0.528 . . . . 0.58999999999999997 110.886 176.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -58.49 -36.77 74.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.318 -0.856 . . . . 2.6000000000000001 111.955 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -85.26 -27.46 26.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.895 0.379 . . . . 2.0299999999999998 111.093 -173.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.456 HG13 ' HD2' ' A' ' 40' ' ' TYR . 23.7 pt -90.29 11.07 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.436 -0.347 . . . . 0.67000000000000004 111.479 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.12 49.5 57.48 Favored Glycine 0 C--N 1.332 0.352 0 CA-C-N 116.01 -0.541 . . . . 0.62 113.82 172.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.466 ' OH ' ' HB3' ' A' ' 14' ' ' LEU . 37.1 m-85 -121.49 123.64 42.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.283 0.542 . . . . 0.70999999999999996 111.841 176.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -80.36 164.11 23.37 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.305 -0.861 . . . . 1.9299999999999999 111.472 177.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.3 p -52.06 -51.39 57.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.993 -1.003 . . . . 0.91000000000000003 112.22 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.535 ' O ' ' HG2' ' A' ' 46' ' ' MET . 31.3 tp -57.69 -50.55 72.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.646 -0.706 . . . . 1.3200000000000001 111.316 -177.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.07 77.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.189 0.519 . . . . 0.46999999999999997 110.412 -179.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.2 tp -63.84 -48.56 76.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.776 -0.647 . . . . 0.75 110.777 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.535 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 22.0 ptm -66.34 -32.67 74.21 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.69 0.281 . . . . 1.26 111.094 -177.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -66.46 -39.13 88.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.995 0.426 . . . . 2.2000000000000002 110.462 176.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.537 HG21 HD13 ' A' ' 14' ' ' LEU . 25.7 m -62.6 -32.91 74.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.867 -0.606 . . . . 0.54000000000000004 111.048 177.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.589 ' HB1' HD12 ' A' ' 60' ' ' ILE . . . -57.05 -45.94 82.81 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.003 -0.544 . . . . 0.46000000000000002 111.338 177.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.91 -29.7 69.75 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.859 -0.61 . . . . 0.48999999999999999 111.059 -175.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -61.63 -51.25 69.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.55 -0.75 . . . . 2.8599999999999999 110.388 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.632 HD13 HD11 ' A' ' 5' ' ' LEU . 96.4 mt -70.91 -36.86 72.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.664 -0.698 . . . . 0.56000000000000005 111.156 -177.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.593 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 49.0 mt-10 -57.66 -58.75 6.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.232 -0.44 . . . . 0.51000000000000001 110.988 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.3 t -65.16 -35.04 79.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.023 -0.535 . . . . 1.4199999999999999 111.534 -176.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -70.68 -45.19 65.5 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.115 0.413 . . . . 2.4199999999999999 112.115 -173.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.421 ' HE1' ' HB ' ' A' ' 3' ' ' THR . 62.0 m-85 -106.68 13.07 28.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.035 0.383 . . . . 1.0800000000000001 112.035 -175.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.24 39.99 97.56 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 121.045 -0.597 . . . . 0.57999999999999996 112.769 175.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.593 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 29.0 m -116.59 -174.25 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 110.158 -0.312 . . . . 0.45000000000000001 110.158 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.2 t -155.42 130.78 9.62 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.109 -0.701 . . . . 1.6200000000000001 109.109 173.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.589 HD12 ' HB1' ' A' ' 49' ' ' ALA . 58.4 mt -93.89 113.4 60.41 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-O 120.83 0.348 . . . . 0.59999999999999998 110.327 -176.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 60' ' ' ILE . 31.1 Cg_exo -62.03 131.54 35.29 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.965 2.443 . . . . 0.81000000000000005 112.77 -177.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -55.59 -30.08 60.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.215 -0.902 . . . . 1.99 111.28 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -75.26 -50.57 15.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.92 -0.582 . . . . 2.4399999999999999 111.392 -176.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.3 t -74.06 -25.78 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 1.1399999999999999 111.279 -174.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 68' ' ' VAL . . . -60.66 -38.92 86.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.093 -0.503 . . . . 0.68000000000000005 112.057 -177.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.62 37.85 2.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.009 -0.615 . . . . 0.77000000000000002 113.099 -176.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 67' ' ' ARG . 51.2 mtp180 -141.74 -5.28 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.661 -0.317 . . . . 3.6299999999999999 110.992 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.752 HG11 HD23 ' A' ' 74' ' ' LEU . 7.4 p -102.05 116.35 45.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.582 0.706 . . . . 0.94999999999999996 111.863 -173.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -95.05 -36.63 11.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.737 -0.665 . . . . 1.75 110.916 175.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.9 p -108.56 135.09 20.06 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.672 -0.694 . . . . 0.5 112.174 -172.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.577 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 57.7 Cg_exo -53.32 -27.42 38.83 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.528 2.819 . . . . 0.38 112.983 176.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.12 -57.02 12.69 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.884 0.373 . . . . 3.5600000000000001 110.566 176.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.587 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 20.9 mm-40 -62.0 -40.9 97.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.832 -0.622 . . . . 2.4300000000000002 110.892 -178.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.752 HD23 HG11 ' A' ' 68' ' ' VAL . 1.5 tm? -58.2 -50.85 72.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.886 -0.597 . . . . 1.22 110.137 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.4 tt -58.84 -44.65 91.01 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.892 -0.595 . . . . 1.1200000000000001 110.882 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.51 -36.28 80.76 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.397 0.517 . . . . 1.4299999999999999 112.397 -177.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 73' ' ' GLU . 94.4 mt -62.83 -47.07 85.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.96 0.409 . . . . 1.6599999999999999 110.428 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.8 mt -70.21 -39.16 76.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.187 -0.461 . . . . 0.40999999999999998 110.79 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -68.1 -28.56 67.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.543 -0.299 . . . . 1.6699999999999999 111.48 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.23 -38.66 95.4 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 121.327 -0.463 . . . . 0.54000000000000004 112.152 178.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.06 -33.7 65.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.04 0.448 . . . . 0.72999999999999998 110.614 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.2 mt -82.75 -8.23 59.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.018 -0.537 . . . . 0.87 111.605 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.6 -32.87 74.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.041 0.448 . . . . 1.05 110.988 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -108.09 20.81 18.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.959 -0.564 . . . . 2.6699999999999999 110.853 -177.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.07 135.25 36.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.114 -0.494 . . . . 2.4500000000000002 110.566 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.46 -0.781 . . . . 3.8199999999999998 110.27 178.899 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SXO . . . . . 0.663 ' H8 ' HD21 ' A' ' 14' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 110.285 -0.265 . . . . 5.0199999999999996 110.285 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.7 -166.84 0.21 Allowed 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.653 0.595 . . . . 2.3199999999999998 111.144 177.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -143.87 120.63 11.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.341 0.591 . . . . 2.1000000000000001 109.729 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 51.0 mt -80.75 163.18 23.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.729 -0.669 . . . . 0.88 110.54 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.621 HD11 HD22 ' A' ' 52' ' ' LEU . 3.1 tt -80.01 122.81 27.2 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.449 -0.945 . . . . 1.0 108.449 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.421 ' H ' ' HB2' ' A' ' 9' ' ' ASP . 33.5 p -109.01 176.11 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.753 0.311 . . . . 1.21 111.326 -176.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -61.69 -54.07 47.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 1.3 111.641 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -67.62 -27.96 67.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.649 -0.251 . . . . 2.1899999999999999 111.016 -178.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.645 ' HB3' ' OH ' ' A' ' 56' ' ' TYR . 0.8 OUTLIER -62.21 -51.95 65.73 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.338 0.59 . . . . 1.1200000000000001 109.91 171.032 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.437 ' HG ' HD23 ' A' ' 14' ' ' LEU . 21.6 tp -61.02 -39.89 91.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.269 -0.878 . . . . 1.0800000000000001 110.776 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -51.99 -39.78 59.94 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.722 -0.672 . . . . 2.1699999999999999 111.365 177.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.852 ' HA ' ' HE ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -78.24 -40.46 37.16 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.507 -0.315 . . . . 3.6600000000000001 111.121 -179.719 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.54 98.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.192 -0.458 . . . . 0.48999999999999999 111.836 -175.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.578 HD13 HG21 ' A' ' 48' ' ' THR . 4.4 mm? -59.99 -43.92 94.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.953 0.406 . . . . 0.79000000000000004 111.082 177.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.9 t -67.05 -39.4 83.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 0.70999999999999996 111.095 -177.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 45.5 mt-10 -59.19 -36.81 76.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 1.49 111.063 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 t -85.71 -1.97 57.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.209 -0.45 . . . . 1.25 111.612 -177.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -124.1 -67.04 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.795 0.331 . . . . 1.6799999999999999 111.883 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.32 -63.59 0.38 Allowed Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 116.142 -0.481 . . . . 2.1400000000000001 111.905 -177.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -169.74 104.78 0.34 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.118 -0.697 . . . . 5.4699999999999998 109.118 178.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -124.19 63.47 1.08 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.99 0.424 . . . . 4.4699999999999998 111.679 -171.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.1 t70 65.83 -84.09 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.353 -0.839 . . . . 4.4000000000000004 112.118 173.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.79 65.47 0.85 Allowed Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 121.05 -0.595 . . . . 2.54 112.047 -174.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.3 m -90.86 43.38 1.14 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.796 0.808 . . . . 3.02 110.105 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -87.18 54.09 3.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.016 -0.993 . . . . 2.7599999999999998 110.364 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.8 mp -83.5 26.52 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 1.6000000000000001 111.822 -175.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.0 m -95.85 -48.78 5.6 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.666 0.269 . . . . 2.0800000000000001 111.171 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.52 46.03 3.49 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 121.143 -0.551 . . . . 1.8400000000000001 113.346 -174.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 61.97 104.31 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.764 0.793 . . . . 2.77 112.34 176.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -110.38 1.8 18.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.049 -0.978 . . . . 0.92000000000000004 111.467 -172.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.51 ' O ' ' HB ' ' A' ' 70' ' ' THR . 26.5 mt -53.23 -37.13 61.77 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.086 0.773 . . . . 0.78000000000000003 113.086 -174.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -92.13 1.08 57.43 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.932 0.345 . . . . 2.29 111.932 -176.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.8 mt -92.35 132.25 36.88 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.29 -0.634 . . . . 1.23 109.29 174.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -71.43 164.61 25.46 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.875 -0.33 . . . . 2.8799999999999999 110.161 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -58.06 -29.63 65.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.901 0.381 . . . . 0.58999999999999997 110.121 174.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -58.97 -32.19 69.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.461 -0.791 . . . . 2.6000000000000001 111.526 172.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -80.45 -40.57 26.03 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.328 -0.397 . . . . 2.0299999999999998 110.411 -175.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.7 pt -89.66 6.69 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.282 -0.417 . . . . 0.67000000000000004 111.678 -178.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.13 45.55 95.17 Favored Glycine 0 CA--C 1.518 0.254 0 CA-C-N 115.94 -0.573 . . . . 0.62 114.063 173.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -110.99 113.48 26.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.395 0.617 . . . . 0.70999999999999996 111.506 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.89 164.17 24.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.854 -1.066 . . . . 1.9299999999999999 111.808 -178.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.1 p -49.58 -53.62 22.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.808 -1.087 . . . . 0.91000000000000003 111.573 174.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.422 ' O ' ' HG2' ' A' ' 46' ' ' MET . 54.1 tp -58.49 -40.3 82.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.335 -0.848 . . . . 1.3200000000000001 110.954 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.68 95.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.083 0.468 . . . . 0.46999999999999997 110.499 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.524 ' HB3' ' H6A' ' A' ' 87' ' ' SXO . 83.0 mt -62.99 -48.33 79.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.635 -0.711 . . . . 0.75 111.56 -179.102 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.422 ' HG2' ' O ' ' A' ' 43' ' ' LEU . 27.3 ptm -64.7 -34.49 78.44 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.948 -0.301 . . . . 1.26 110.926 -177.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -67.53 -42.72 82.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.358 . . . . 2.2000000000000002 110.168 174.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.578 HG21 HD13 ' A' ' 14' ' ' LEU . 43.3 m -63.47 -36.51 83.98 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.108 -0.496 . . . . 0.54000000000000004 111.61 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.84 -40.6 69.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.366 -0.379 . . . . 0.46000000000000002 111.488 -178.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.94 -31.83 72.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.042 -0.526 . . . . 0.48999999999999999 111.1 -176.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -69.33 -44.23 72.09 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.622 -0.717 . . . . 2.8599999999999999 109.774 -177.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.621 HD22 HD11 ' A' ' 5' ' ' LEU . 48.2 mt -68.53 -48.1 65.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.576 -0.738 . . . . 0.56000000000000005 110.486 -178.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.526 ' HA ' ' CG2' ' A' ' 58' ' ' VAL . 53.0 mt-10 -57.34 -51.89 67.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.884 -0.598 . . . . 0.51000000000000001 111.145 -177.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.7 t -66.36 -42.79 87.53 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.524 -0.307 . . . . 1.4199999999999999 111.344 -176.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -70.83 -48.78 52.21 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.285 0.476 . . . . 2.4199999999999999 112.285 -174.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.645 ' OH ' ' HB3' ' A' ' 9' ' ' ASP . 70.7 m-85 -94.36 6.89 47.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.935 0.398 . . . . 1.0800000000000001 111.142 -172.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 65.88 44.07 92.6 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.655 -0.702 . . . . 0.57999999999999996 112.562 175.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.526 ' CG2' ' HA ' ' A' ' 53' ' ' GLU . 32.9 m -126.71 -176.06 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.076 0.465 . . . . 0.45000000000000001 111.253 -176.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.4 p -150.39 135.48 17.77 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 108.732 -0.84 . . . . 1.6200000000000001 108.732 172.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 60.8 mt -91.52 116.71 66.98 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 110.152 -0.314 . . . . 0.59999999999999998 110.152 -177.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.15 127.27 24.44 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.09 2.527 . . . . 0.81000000000000005 112.087 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -61.92 -19.3 62.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.689 -0.687 . . . . 1.99 112.175 -175.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -78.18 -53.76 6.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.006 0.432 . . . . 2.4399999999999999 110.733 175.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.1 t -74.87 -19.51 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.951 -0.568 . . . . 1.1399999999999999 111.412 -174.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.5 -39.74 84.81 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.123 0.487 . . . . 0.68000000000000005 111.472 -177.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.13 35.52 4.73 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.456 -0.878 . . . . 0.77000000000000002 112.419 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -142.5 42.84 1.62 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.754 0.311 . . . . 3.6299999999999999 110.802 -177.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.552 HG21 HD23 ' A' ' 74' ' ' LEU . 22.3 m -140.73 166.47 18.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.245 -0.434 . . . . 0.94999999999999996 110.876 179.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -138.24 -43.84 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 1.75 110.991 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.51 ' HB ' ' O ' ' A' ' 31' ' ' LEU . 77.1 p -107.56 149.64 39.13 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.959 -0.564 . . . . 0.5 111.585 -176.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.407 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 44.7 Cg_exo -57.73 -26.47 73.32 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.81 2.34 . . . . 0.38 111.92 172.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.577 ' HE ' ' HA ' ' A' ' 72' ' ' ARG . 1.1 tpm_? -53.89 -55.75 23.96 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.754 0.311 . . . . 3.5600000000000001 110.163 174.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -63.66 -46.99 83.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.189 -0.914 . . . . 2.4300000000000002 110.537 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.552 HD23 HG21 ' A' ' 68' ' ' VAL . 1.4 tm? -58.53 -51.25 70.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.735 -0.666 . . . . 1.22 110.775 -178.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.7 tp -59.18 -44.1 92.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.946 -0.57 . . . . 1.1200000000000001 111.25 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.77 -36.88 83.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.791 -0.64 . . . . 1.4299999999999999 111.023 -175.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.28 -52.33 64.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.034 -0.53 . . . . 1.6599999999999999 110.065 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.0 mt -63.56 -46.65 94.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.40999999999999998 110.823 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -60.64 -38.33 84.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 1.6699999999999999 111.235 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.62 -37.13 93.27 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 121.117 -0.563 . . . . 0.54000000000000004 112.339 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.42 -28.89 64.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.013 0.435 . . . . 0.72999999999999998 110.902 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.406 HD21 ' CG1' ' A' ' 58' ' ' VAL . 67.4 mt -73.87 -19.43 60.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.044 -0.526 . . . . 0.87 111.241 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.55 -25.75 67.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.461 -0.336 . . . . 1.05 111.639 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -100.76 6.96 44.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.073 0.464 . . . . 2.6699999999999999 110.613 178.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.35 -1.85 50.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.929 -0.578 . . . . 2.4500000000000002 110.305 179.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.21 -0.9 . . . . 3.8199999999999998 109.908 179.12 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SXO . . . . . 0.647 ' H30' HN36 ' A' ' 87' ' ' SXO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_