data_2key_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 2key _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 ' 7' ' ' PHE . . . . . 0.592 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 121.454 0.645 . . . . 72.52 111.118 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -93.95 -18.65 21.69 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.202 -0.908 . . . . 74.5 110.95 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.8 ' HA ' ' HA2' ' A' ' 46' ' ' GLY . 23.2 t -111.75 152.31 27.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.145 -0.479 . . . . 75.51 111.273 -173.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.503 ' O ' HG21 ' A' ' 14' ' ' VAL . 31.0 p90 -54.78 -41.99 71.2 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.769 -0.651 . . . . 74.42 111.703 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.694 ' HB2' ' HB3' ' A' ' 37' ' ' MET . 3.1 p-80 -72.34 -25.23 61.46 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.01 0.433 . . . . 72.24 110.9 -176.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.592 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 3.9 m-20 -80.02 -37.01 34.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.301 -0.409 . . . . 72.33 110.395 174.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.544 ' CD1' ' HB2' ' A' ' 85' ' ' TYR . 19.5 t80 -62.01 -49.52 75.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.738 -0.664 . . . . 74.35 109.775 178.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.716 HG22 ' HB3' ' A' ' 85' ' ' TYR . 92.0 t -59.46 -46.9 92.4 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.303 0 CA-C-N 115.765 -0.652 . . . . 73.13 110.598 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.58 -33.2 67.93 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.933 0.345 . . . . 55.42 111.933 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.423 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 35.6 t -83.67 -51.12 7.54 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 121.066 -0.254 . . . . 74.14 111.222 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -65.74 -28.15 68.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.677 0.275 . . . . 74.24 110.691 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 50.1 tpp -52.14 -28.32 17.54 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 115.787 -0.642 . . . . 63.44 111.881 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.45 ' HA ' ' OG ' ' A' ' 22' ' ' SER . 22.2 ptmt -50.77 -30.39 13.96 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.821 0.343 . . . . 73.4 111.485 178.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 m -71.45 -24.34 62.0 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.279 0.561 . . . . 74.45 110.683 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -101.72 -33.52 9.82 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.873 -0.603 . . . . 74.42 111.361 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.45 ' OG ' ' HA ' ' A' ' 19' ' ' LYS . 38.1 p -66.79 -24.17 66.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.017 0.436 . . . . 75.23 111.026 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -17.81 64.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.429 0.633 . . . . 71.03 109.817 175.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 -127.31 23.27 6.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.538 -0.755 . . . . 73.13 110.463 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.3 tp -124.18 172.62 8.9 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.179 -1.045 . . . . 74.23 108.179 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.44 ' OE2' HG21 ' A' ' 29' ' ' THR . 0.0 OUTLIER -93.16 167.67 11.62 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 109.549 -0.538 . . . . 74.31 109.549 169.746 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.656 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 50.0 mm -77.41 -27.43 15.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 116.3 -0.409 . . . . 73.44 110.764 -173.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.25 -59.22 7.86 Favored Glycine 0 C--N 1.331 0.285 0 CA-C-N 116.079 -0.509 . . . . 72.44 113.543 -175.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.44 HG21 ' OE2' ' A' ' 26' ' ' GLU . 10.3 t -72.65 -41.4 65.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.99 0.395 . . . . 74.12 111.051 -178.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -50.09 -53.67 25.65 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 111.974 0.361 . . . . 73.21 111.974 176.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.656 ' HG2' ' O ' ' A' ' 27' ' ' ILE . 2.1 ptm180 -67.84 -28.92 67.97 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.662 0.268 . . . . 72.12 111.504 -176.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -70.67 -42.59 70.56 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.912 -0.315 . . . . 75.02 111.192 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -77.51 -25.63 50.47 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.647 -0.421 . . . . 74.11 110.396 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -58.88 -49.38 78.0 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.677 -0.692 . . . . 72.24 111.334 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.5 m -67.85 -36.14 79.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.102 0.477 . . . . 62.34 110.936 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.6 m -64.16 -55.68 20.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.655 . . . . 73.51 111.7 -176.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.694 ' HB3' ' HB2' ' A' ' 11' ' ' HIS . 73.0 mtm -60.9 -26.4 67.42 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.733 0.642 . . . . 74.22 112.733 -174.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' A' ' 38' ' ' ARG . 13.6 tpp180 -71.27 -51.33 25.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.88 0.371 . . . . 65.55 111.216 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -79.89 -6.42 57.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.149 0.499 . . . . 75.14 111.08 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.28 4.32 2.32 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.673 -0.694 . . . . 75.11 111.94 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.565 ' HB3' ' HZ3' ' A' ' 41' ' ' LYS . 9.1 mtpm? -77.76 17.96 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.228 0.455 . . . . 75.52 112.228 -176.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.35 -36.3 74.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.707 0.289 . . . . 72.43 110.791 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -83.86 -19.22 35.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.453 -0.34 . . . . 75.41 110.847 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.6 m 61.52 -164.42 0.24 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.751 -0.658 . . . . 63.3 110.945 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 72.1 158.91 0.2 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.369 0.604 . . . . 73.4 111.638 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.8 ' HA2' ' HA ' ' A' ' 9' ' ' SER . . . -89.84 -46.54 4.2 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.792 -0.64 . . . . 74.04 112.803 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.0 tt 72.27 108.61 0.07 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.155 0.582 . . . . 65.23 110.405 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -97.47 -168.96 1.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.744 -0.662 . . . . 75.33 111.533 -176.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.702 ' HE1' ' HB2' ' A' ' 89' ' ' ALA . 56.1 m-85 -57.13 -38.73 73.89 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.456 -0.793 . . . . 51.5 111.546 -177.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -80.05 -20.76 44.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.323 -0.399 . . . . 74.24 111.922 -172.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -86.46 -16.34 37.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.111 0.482 . . . . 73.25 110.466 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.493 ' CD1' ' HG3' ' A' ' 99' ' ' PRO . 1.2 tm? -85.21 97.21 9.78 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.687 -0.688 . . . . 52.23 109.417 178.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.477 ' O ' HD23 ' A' ' 57' ' ' LEU . 40.2 p -120.06 166.78 12.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.349 -0.387 . . . . 71.4 111.38 -177.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.578 ' HB3' ' HB2' ' A' ' 103' ' ' PHE . 2.6 mp0 -62.79 -38.75 91.86 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.129 -0.487 . . . . 71.51 109.925 176.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -67.79 -33.13 74.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.947 -0.569 . . . . 75.25 110.409 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -62.37 -51.0 69.36 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.953 -0.388 . . . . 73.14 109.953 175.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 53' ' ' THR . 4.5 mm? -58.35 -39.26 79.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.976 -0.556 . . . . 72.11 110.569 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 58' ' ' ARG . 28.8 ttt-85 -62.19 -53.79 50.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.8 -0.636 . . . . 64.2 111.128 176.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -63.4 -43.15 98.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 42.52 111.211 -176.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.7 -28.95 62.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.305 -0.407 . . . . 74.23 110.818 -177.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 58.5 tp -58.56 -52.19 66.69 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.21 -0.663 . . . . 71.11 109.21 171.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.411 ' O ' ' HB3' ' A' ' 66' ' ' LYS . 70.8 mt -59.7 -48.99 85.44 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.383 0 CA-C-N 115.204 -0.907 . . . . 72.53 110.535 177.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -55.74 -45.37 78.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.04 0.448 . . . . 74.31 111.663 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.479 ' O ' ' HB2' ' A' ' 68' ' ' LEU . 16.2 ttp -69.81 -40.79 75.71 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.136 0.493 . . . . 73.44 111.474 -176.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.543 ' O ' ' HA ' ' A' ' 69' ' ' CYS . 86.1 tttt -73.91 -40.78 62.89 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.822 -0.626 . . . . 64.32 111.36 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 67.1 tttt -85.41 -64.65 1.12 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.957 -0.565 . . . . 72.12 112.181 -174.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.5 m -74.08 -48.54 29.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.348 -0.387 . . . . 73.12 111.449 -173.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 64' ' ' MET . 89.9 mt -75.56 -26.68 58.18 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.019 -0.363 . . . . 64.01 110.019 178.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 8.5 t 63.91 85.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.423 -0.808 . . . . 74.25 111.169 177.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -139.56 166.54 24.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.532 -0.758 . . . . 71.54 109.997 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.9 162.95 25.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.457 -0.338 . . . . 65.11 110.735 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -59.79 -40.38 88.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.367 -0.379 . . . . 74.11 110.827 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.7 m -62.48 -42.01 99.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.871 0.367 . . . . 73.23 110.581 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.7 m -65.09 -44.76 87.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.955 -0.566 . . . . 74.41 110.394 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.414 ' HA ' ' HE2' ' A' ' 64' ' ' MET . . . -64.81 -49.36 70.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.641 -0.709 . . . . 74.12 111.577 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -61.83 -39.09 90.58 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.929 0.395 . . . . 74.42 110.557 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -65.08 -43.91 90.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 75.24 111.567 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -69.21 -37.03 77.88 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.038 0.447 . . . . 70.05 110.938 -178.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.406 HD23 HD13 ' A' ' 57' ' ' LEU . 50.5 mt -69.58 -37.67 77.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.319 -0.401 . . . . 64.44 111.017 177.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.543 ' O ' HG12 ' A' ' 84' ' ' ILE . 13.0 p -71.85 -14.24 61.9 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.965 -0.294 . . . . 70.21 110.602 177.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.572 HG23 HG13 ' A' ' 14' ' ' VAL . 42.3 m -71.64 -40.52 69.64 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.381 -0.6 . . . . 75.53 109.381 173.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.544 HG22 ' HE2' ' A' ' 85' ' ' TYR . 94.7 mt -67.32 -40.41 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.702 -0.681 . . . . 73.41 109.205 172.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 87' ' ' SER . 14.0 tmtt? -55.44 -29.84 59.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.361 -0.836 . . . . 73.43 110.545 177.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 80' ' ' SER . 34.0 mm -57.04 -55.49 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.66 -0.245 . . . . 75.24 111.555 177.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.716 ' HB3' HG22 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -71.77 -33.16 68.39 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 120.488 -0.485 . . . . 72.34 109.909 -176.559 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' ' 90' ' ' ILE . 74.6 t -59.92 -51.01 77.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.927 -0.579 . . . . 75.11 109.858 175.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.488 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 0.5 OUTLIER -62.62 -36.59 83.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.399 -0.819 . . . . 71.24 111.649 179.629 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.74 -43.42 98.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.18 0.514 . . . . 74.33 110.129 174.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.702 ' HB2' ' HE1' ' A' ' 49' ' ' PHE . . . -67.59 -22.58 65.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.435 -0.802 . . . . 63.15 111.085 177.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 86' ' ' VAL . 91.9 mt -81.4 -43.28 20.16 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-O 121.079 0.466 . . . . 73.22 110.781 175.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -68.54 -44.4 74.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.847 -0.615 . . . . 72.24 112.029 -172.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -139.29 19.08 2.58 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.798 0.332 . . . . 72.02 111.165 -177.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -105.89 -111.62 3.61 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.314 -0.946 . . . . 54.25 112.63 -177.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.12 -3.34 0.76 Allowed 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 120.691 0.281 . . . . 74.34 111.614 -175.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.51 ' SD ' HG13 ' A' ' 86' ' ' VAL . 7.2 ttt -89.96 139.49 30.55 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.5 -0.555 . . . . 73.44 109.5 -178.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -91.13 -45.58 8.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.178 0.513 . . . . 74.21 110.988 -173.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -133.89 149.12 51.31 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.88 -0.6 . . . . 70.43 110.555 -175.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -86.6 151.36 52.86 Favored Pre-proline 0 N--CA 1.446 -0.662 0 CA-C-N 115.796 -0.638 . . . . 73.32 109.781 176.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.493 ' HG3' ' CD1' ' A' ' 52' ' ' LEU . 28.7 Cg_endo -61.8 -35.49 78.72 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.619 2.213 . . . . 74.13 112.162 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -70.43 -12.58 61.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.219 -0.446 . . . . 73.3 111.989 -176.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -72.46 -39.83 67.45 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 110.015 -0.365 . . . . 71.03 110.015 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -93.52 -30.6 14.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.3 0.572 . . . . 74.03 110.783 176.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.578 ' HB2' ' HB3' ' A' ' 54' ' ' GLU . 65.5 t80 . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 115.491 -0.777 . . . . 60.4 111.224 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 . . . . . 0 N--CA 1.444 -0.74 0 N-CA-C 109.589 -0.523 . . . . 71.4 109.589 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.696 ' HE3' ' HE1' ' A' ' 43' ' ' TYR . 49.3 mtmt -89.21 9.91 24.0 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.82 -0.627 . . . . 62.11 112.553 -171.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.2 p -147.84 151.01 35.23 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 116.026 -0.534 . . . . 73.32 110.049 171.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 14' ' ' VAL . 65.8 m-85 -63.42 -27.91 69.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.36 -0.382 . . . . 71.54 110.011 175.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -65.02 -41.22 95.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.943 -0.571 . . . . 75.21 110.062 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -78.39 -35.26 47.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.445 -0.798 . . . . 74.33 110.07 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -62.64 -38.92 92.17 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.304 -0.862 . . . . 55.42 110.851 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.625 HG12 ' HB ' ' A' ' 81' ' ' THR . 32.7 t -54.55 -40.34 49.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.19 -0.459 . . . . 73.14 111.527 178.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.28 -35.64 74.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.444 -0.344 . . . . 62.44 111.294 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.0 t -71.41 -40.65 70.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.391 -0.368 . . . . 72.34 110.483 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -72.86 -39.86 66.13 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.839 -0.43 . . . . 73.4 109.839 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 21' ' ' TYR . 44.8 tpp -53.29 -49.48 66.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.544 -0.753 . . . . 72.01 110.151 175.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -51.0 -36.01 36.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.127 -0.942 . . . . 74.21 111.75 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.7 m -54.06 -52.92 59.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.879 -0.601 . . . . 63.01 111.804 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 18' ' ' MET . 20.5 p90 -93.9 -8.79 39.23 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.891 -0.324 . . . . 75.43 111.6 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.0 m -70.67 -8.55 52.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.028 0.442 . . . . 65.34 110.594 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.463 ' O ' ' HD3' ' A' ' 23' ' ' ARG . 4.1 tmt_? -55.49 -28.65 55.84 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.776 -0.647 . . . . 73.11 110.555 176.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -81.22 -13.14 58.84 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.015 0.436 . . . . 71.3 110.933 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.0 mp -93.03 153.74 18.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.91 -0.586 . . . . 71.32 110.178 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.89 155.48 40.76 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 115.649 -0.705 . . . . 73.43 109.49 174.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.7 mt -59.44 -35.12 56.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.093 0.473 . . . . 74.35 109.858 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.29 -36.56 83.76 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.541 -0.754 . . . . 74.2 112.89 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.9 m -79.12 -46.15 18.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.075 0.438 . . . . 64.53 110.472 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -58.15 -43.85 87.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.665 -0.698 . . . . 75.32 112.432 -177.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -61.26 -20.28 62.67 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.338 0.495 . . . . 72.42 112.338 -176.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -54.69 -50.86 67.25 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 111.91 0.337 . . . . 74.3 111.91 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.591 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 76.9 t60 -110.31 -0.88 17.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.029 0.442 . . . . 75.05 110.721 -174.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -66.98 -51.88 49.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.197 0.522 . . . . 72.11 111.36 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.38 15.79 6.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.856 -0.611 . . . . 75.24 112.615 -172.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.591 ' SG ' ' HA ' ' A' ' 33' ' ' HIS . 68.7 m -77.98 -66.92 0.78 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.803 0.335 . . . . 75.02 111.257 -178.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -65.63 -30.44 71.16 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.148 -0.478 . . . . 74.01 111.647 -174.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.08 -36.56 77.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.159 -0.473 . . . . 71.21 112.016 -178.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -75.13 -48.06 25.57 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 120.968 0.413 . . . . 74.54 110.783 -177.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -72.33 -21.06 61.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.822 -0.626 . . . . 74.44 111.027 -176.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 58.4 mttp 67.42 72.36 0.34 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.296 -0.866 . . . . 75.43 110.176 -174.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.5 122.28 20.16 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.551 -0.75 . . . . 72.24 110.273 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.696 ' HE1' ' HE3' ' A' ' 8' ' ' LYS . 63.4 m-85 -125.36 135.98 52.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.069 0.462 . . . . 74.24 110.748 178.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.2 m -141.65 92.83 2.5 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.711 -0.677 . . . . 74.44 109.307 178.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.15 46.61 1.33 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.674 0.75 . . . . 75.23 109.596 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 176.66 -127.2 1.19 Allowed Glycine 0 N--CA 1.439 -1.164 0 CA-C-N 115.089 -0.959 . . . . 75.03 110.848 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.505 HD21 ' HB3' ' A' ' 51' ' ' GLU . 3.0 tm? 66.54 119.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.939 0.876 . . . . 73.42 110.078 -176.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.47 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 27.2 mm-40 -111.39 167.75 10.06 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.504 -0.771 . . . . 72.22 110.003 -174.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.528 ' O ' ' HE3' ' A' ' 95' ' ' MET . 44.9 p90 -62.94 -38.51 91.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.592 -0.276 . . . . 74.32 111.005 -177.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -92.42 6.81 45.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.064 0.459 . . . . 74.53 110.56 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.505 ' HB3' HD21 ' A' ' 47' ' ' LEU . 11.3 tt0 -94.16 -28.24 15.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.012 0.434 . . . . 75.21 110.359 178.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.648 ' HG ' HG21 ' A' ' 86' ' ' VAL . 1.0 OUTLIER -78.97 84.28 5.01 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.973 -0.751 . . . . 75.01 108.973 177.272 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.517 ' O ' HD23 ' A' ' 57' ' ' LEU . 25.6 p -128.93 -175.76 3.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.697 -0.683 . . . . 71.31 111.221 -175.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -57.64 -40.83 80.16 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.236 -0.438 . . . . 71.41 110.455 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.35 -44.77 95.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.794 -0.639 . . . . 72.13 111.084 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -64.16 -45.91 86.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 75.35 110.355 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 53' ' ' THR . 4.3 mm? -60.15 -45.86 91.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 71.12 110.828 178.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -60.9 -48.27 82.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 73.44 111.198 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -67.1 -43.72 81.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.238 -0.437 . . . . 65.31 111.222 -177.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -69.88 -33.54 72.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 75.22 110.506 -177.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.6 tp -59.24 -49.27 78.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.914 -0.584 . . . . 62.43 110.444 175.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.2 mt -59.83 -44.66 94.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.707 -0.679 . . . . 64.12 110.603 177.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -60.48 -37.14 80.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.229 0.537 . . . . 74.51 110.524 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.494 ' O ' ' HB2' ' A' ' 68' ' ' LEU . 6.8 tpp -65.69 -40.21 92.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.617 -0.72 . . . . 73.24 110.859 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 69' ' ' CYS . 8.6 tmtt? -82.13 -36.26 27.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.848 -0.615 . . . . 74.11 110.939 -176.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -81.79 -64.24 1.22 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.384 -0.371 . . . . 71.03 111.532 -177.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.5 m -77.63 -48.83 15.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.256 -0.429 . . . . 72.15 111.354 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 64' ' ' MET . 77.8 mt -78.1 -20.5 52.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.346 -0.388 . . . . 71.31 110.415 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 60.2 m 61.56 31.68 18.8 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.636 -0.711 . . . . 74.31 112.032 174.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.99 154.08 17.85 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.817 -0.438 . . . . 54.32 109.817 175.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.69 154.0 38.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.319 -0.401 . . . . 53.41 110.303 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.429 ' HA ' ' HB1' ' A' ' 75' ' ' ALA . 6.4 p-10 -59.85 -28.81 67.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.461 -0.336 . . . . 75.41 111.655 -177.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.0 m -61.11 -35.51 77.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.794 0.331 . . . . 72.33 110.797 176.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.2 m -85.04 -43.18 14.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 60.11 110.246 177.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.429 ' HB1' ' HA ' ' A' ' 72' ' ' ASP . . . -55.22 -45.04 75.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.654 -0.703 . . . . 43.3 111.606 -178.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.454 ' HA ' ' OE1' ' A' ' 76' ' ' GLN . 12.7 mm-40 -65.05 -33.16 75.37 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 116.224 -0.444 . . . . 73.44 111.472 -178.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -72.52 -38.56 68.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.605 0.24 . . . . 74.15 110.883 176.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -60.15 -40.06 88.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.35 0.595 . . . . 72.23 110.226 176.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 92.9 mt -75.07 -37.22 61.69 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.522 -0.763 . . . . 72.04 110.771 177.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.411 ' O ' HG13 ' A' ' 84' ' ' ILE . 33.4 t -63.14 -35.48 80.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.504 . . . . 63.51 111.492 -178.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.625 ' HB ' HG12 ' A' ' 14' ' ' VAL . 11.3 p -66.08 -32.34 73.75 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.474 -0.49 . . . . 73.3 110.766 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.8 mt -70.75 -40.09 76.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.032 -0.729 . . . . 75.21 109.032 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.479 ' HE2' ' OD2' ' A' ' 98' ' ' ASP . 11.9 tmtt? -56.4 -38.62 71.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.525 -1.216 . . . . 73.45 110.826 178.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 80' ' ' SER . 82.3 mt -59.72 -42.6 89.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.682 0.277 . . . . 65.24 110.971 178.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.403 ' HB2' HG23 ' A' ' 14' ' ' VAL . 91.1 t80 -68.81 -46.55 68.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.012 0.434 . . . . 72.14 110.526 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.648 HG21 ' HG ' ' A' ' 52' ' ' LEU . 84.0 t -61.91 -46.08 97.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.79 -0.641 . . . . 53.4 110.974 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.413 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 1.6 m -63.29 -37.02 85.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.793 -0.64 . . . . 73.11 111.485 178.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.89 -35.83 80.9 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.275 0.559 . . . . 63.24 110.144 175.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.01 -22.01 66.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.488 -0.778 . . . . 74.44 111.287 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.709 HG12 ' HB3' ' A' ' 95' ' ' MET . 62.0 mt -76.89 -32.82 20.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.903 0.382 . . . . 74.02 110.576 177.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -67.44 -44.05 79.66 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.156 -0.475 . . . . 54.14 111.473 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -160.97 57.43 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.085 -0.507 . . . . 71.34 110.04 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -142.68 -99.4 0.32 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 119.962 -1.113 . . . . 75.34 113.541 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.63 -26.06 0.69 Allowed 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 120.619 0.247 . . . . 74.45 111.594 -170.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.709 ' HB3' HG12 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -84.75 172.25 11.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.367 -0.378 . . . . 63.52 110.297 -176.433 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.465 ' HA ' HG21 ' A' ' 90' ' ' ILE . 30.4 tt0 -152.0 -43.11 0.11 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.023 0.439 . . . . 71.44 110.966 -175.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -108.37 115.04 29.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.893 -0.594 . . . . 63.23 110.793 -173.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.479 ' OD2' ' HE2' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -61.23 140.93 94.33 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 120.782 0.325 . . . . 71.24 111.13 177.614 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -75.14 -31.82 5.72 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.432 2.088 . . . . 54.13 112.108 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.769 ' HA ' ' HB3' ' A' ' 103' ' ' PHE . 21.1 m-85 -71.98 -10.84 60.34 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.237 -0.438 . . . . 74.15 111.504 -177.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.19 -35.75 76.59 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 109.497 -0.557 . . . . 71.5 109.497 176.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -96.75 -25.18 15.61 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.155 -0.475 . . . . 71.13 110.559 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.769 ' HB3' ' HA ' ' A' ' 100' ' ' PHE . 67.5 t80 . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 115.384 -0.825 . . . . 75.53 110.767 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.555 ' HB2' ' HB3' ' A' ' 12' ' ' ASP . 3.5 p90 . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 121.292 0.568 . . . . 74.42 110.943 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -102.03 -13.31 17.59 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.33 -0.85 . . . . 74.21 109.758 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.453 ' HB2' ' HB2' ' A' ' 12' ' ' ASP . 50.3 m -72.83 140.4 47.6 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.476 -1.238 . . . . 43.15 111.499 -174.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -52.91 -57.16 11.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.303 -0.862 . . . . 75.44 110.427 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 42' ' ' GLU . 15.7 p-80 -59.9 -25.36 65.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.529 -0.76 . . . . 74.14 111.891 -178.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.555 ' HB3' ' HB2' ' A' ' 7' ' ' PHE . 4.0 m-20 -81.03 -50.21 9.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.385 -0.371 . . . . 71.41 111.144 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -62.46 -43.27 99.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 63.01 110.46 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.733 HG12 ' HB ' ' A' ' 81' ' ' THR . 88.9 t -65.74 -39.37 84.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 64.4 110.957 -178.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.63 84.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.36 . . . . 60.45 111.19 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.4 t -74.94 -43.21 55.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.048 -0.524 . . . . 61.34 110.511 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -69.04 -37.97 78.88 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.394 -0.366 . . . . 73.23 111.261 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 40.8 tpp -61.74 -30.19 70.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.431 . . . . 74.45 110.51 -178.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -57.24 -38.48 73.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.923 -0.58 . . . . 65.21 110.817 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.9 m -82.62 -30.82 29.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.967 -0.561 . . . . 62.0 110.468 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -65.48 -17.33 64.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.836 -0.62 . . . . 74.4 110.392 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.497 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 42.3 t -61.55 -12.4 15.25 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.938 -0.574 . . . . 73.43 111.856 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -64.63 -17.3 63.9 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.851 0.358 . . . . 72.5 110.924 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 24' ' ' ARG . 9.3 ptm180 -131.46 19.49 4.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.247 -0.433 . . . . 74.45 110.416 175.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.573 ' HG ' HG23 ' A' ' 29' ' ' THR . 15.2 tp -137.24 121.7 18.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.088 -0.506 . . . . 72.43 110.159 -177.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -63.76 156.99 25.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.929 0.395 . . . . 71.44 111.053 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.5 mm -62.86 -37.73 79.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.702 -0.681 . . . . 73.3 110.908 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.52 -50.2 61.34 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 121.013 -0.613 . . . . 72.45 112.596 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.573 HG23 ' HG ' ' A' ' 25' ' ' LEU . 1.8 t -77.71 -41.49 37.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.819 -0.224 . . . . 75.12 110.872 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -49.98 -52.72 31.55 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 122.479 0.312 . . . . 73.53 111.054 176.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -69.78 -32.51 71.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.926 -0.579 . . . . 72.33 111.605 -177.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -71.43 -4.88 28.89 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 120.918 0.389 . . . . 70.52 111.416 -174.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -143.77 30.88 1.31 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.317 0.58 . . . . 72.21 109.719 171.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -95.71 -73.09 0.6 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.395 -0.821 . . . . 45.54 110.543 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' A' ' 39' ' ' LYS . 17.3 m -74.66 -15.99 60.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.396 -0.82 . . . . 65.34 111.605 -174.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 69.0 m -45.87 -56.16 5.76 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.337 0.398 . . . . 54.21 112.007 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.434 ' HB3' ' HB2' ' A' ' 11' ' ' HIS . 66.9 mtm -55.18 -52.88 61.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.327 -0.851 . . . . 73.13 111.982 -176.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -77.65 -40.54 41.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.597 0.592 . . . . 72.32 112.597 -174.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -65.42 -59.26 4.2 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 112.161 0.43 . . . . 73.14 112.161 -171.322 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -65.14 -48.89 71.97 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.886 -0.326 . . . . 74.35 110.93 -175.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.562 ' HG2' ' HB2' ' A' ' 43' ' ' TYR . 41.1 ttmt 179.58 102.45 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.747 -0.661 . . . . 74.2 109.604 -175.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 11' ' ' HIS . 4.2 pt-20 -59.94 -53.96 51.68 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.826 -0.624 . . . . 74.32 111.443 -179.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.562 ' HB2' ' HG2' ' A' ' 41' ' ' LYS . 10.1 t80 59.58 -161.83 0.26 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.83 0.347 . . . . 74.12 111.429 168.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 55.9 m 77.17 -73.98 0.08 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.029 0.931 . . . . 74.13 112.046 177.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 64.55 -75.32 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.55 0.531 . . . . 74.45 111.258 -175.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -142.61 49.22 0.74 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.988 -0.625 . . . . 53.42 112.4 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.64 129.33 39.37 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.443 -0.577 . . . . 72.1 109.443 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -95.95 173.47 7.42 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.3 0.571 . . . . 75.44 111.795 -173.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -58.97 -30.26 67.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.249 -0.887 . . . . 74.31 111.427 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -64.78 -29.29 70.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.38 -0.827 . . . . 70.3 111.05 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -87.08 -22.66 25.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.961 0.41 . . . . 73.02 110.83 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.81 90.56 7.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.1 -0.5 . . . . 75.42 110.212 -177.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.7 p -129.13 -179.88 5.38 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.067 -0.515 . . . . 72.13 111.225 -177.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -61.22 -42.05 97.92 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.978 -0.749 . . . . 73.42 108.978 171.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.99 -41.9 93.04 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.149 -0.932 . . . . 73.3 111.054 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.482 ' HD2' HD22 ' A' ' 57' ' ' LEU . 70.9 t80 -57.92 -51.62 68.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.97 0.414 . . . . 74.21 110.375 178.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.482 HD22 ' HD2' ' A' ' 56' ' ' PHE . 4.5 mm? -62.45 -40.59 97.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.654 -0.703 . . . . 73.23 111.142 179.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -43.97 81.48 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.636 -0.711 . . . . 74.15 111.318 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -71.9 -36.71 70.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.231 -0.44 . . . . 75.53 110.971 -177.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -61.64 -38.62 88.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.045 0.45 . . . . 74.4 110.04 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.682 HD11 ' HA ' ' A' ' 72' ' ' ASP . 30.6 tp -65.59 -47.24 76.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.785 -0.643 . . . . 63.34 110.763 176.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 78.0 mt -57.23 -45.76 84.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.88 -0.6 . . . . 74.11 110.6 176.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -61.88 -39.21 91.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.281 0.562 . . . . 73.44 110.139 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.575 ' HG2' ' HB2' ' A' ' 75' ' ' ALA . 24.8 tpp -58.99 -43.83 91.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.37 -0.832 . . . . 71.21 110.728 176.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -75.87 -40.86 53.78 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.955 -1.021 . . . . 64.2 111.363 -175.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -81.11 -63.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.147 0.498 . . . . 75.03 111.859 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.5 m -78.98 -33.66 44.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.885 -0.598 . . . . 71.03 112.173 -170.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.452 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 88.5 mt -93.38 -89.08 0.21 Allowed 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.212 -0.595 . . . . 65.21 111.934 -175.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 68' ' ' LEU . 14.9 m 179.07 -42.21 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.768 0.318 . . . . 74.33 111.292 -170.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.528 ' HB3' ' HB ' ' A' ' 74' ' ' THR . 38.0 m-80 -69.85 152.43 44.55 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.002 -0.544 . . . . 72.13 112.092 -168.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -98.06 -170.69 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.511 -0.768 . . . . 71.25 111.302 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.682 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -52.49 -67.55 0.24 Allowed 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.06 0.763 . . . . 71.51 113.06 -176.078 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.536 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 24.2 t -57.71 -40.45 79.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.634 0.254 . . . . 75.41 111.14 -177.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.528 ' HB ' ' HB3' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -58.91 -42.96 90.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.147 0.499 . . . . 62.45 110.768 179.62 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.575 ' HB2' ' HG2' ' A' ' 64' ' ' MET . . . -71.29 -36.96 71.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.026 -0.534 . . . . 74.13 111.026 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -60.04 -38.01 81.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.634 -0.257 . . . . 72.34 110.937 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 73' ' ' SER . 33.0 mmt180 -59.55 -39.86 85.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.32 0.581 . . . . 71.1 110.509 175.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -78.17 -39.07 41.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.499 -0.773 . . . . 74.2 111.618 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 36.2 mt -63.55 -22.85 67.12 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 111.845 0.313 . . . . 72.32 111.845 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.466 ' O ' HG12 ' A' ' 84' ' ' ILE . 49.7 m -52.67 -28.17 20.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.299 -0.41 . . . . 65.22 111.774 174.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.733 ' HB ' HG12 ' A' ' 14' ' ' VAL . 51.9 p -63.44 -54.74 31.83 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.988 0.423 . . . . 74.34 111.038 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 55.0 mt -59.92 -38.65 77.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.791 -0.64 . . . . 73.51 110.555 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.414 ' HD2' ' HG ' ' A' ' 87' ' ' SER . 50.0 tptt -55.29 -41.28 72.08 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 115.671 -0.695 . . . . 74.0 111.177 177.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 80' ' ' SER . 47.0 mm -59.87 -47.11 92.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.594 0.235 . . . . 73.35 111.215 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -70.13 -48.53 57.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.971 0.415 . . . . 75.0 110.692 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.519 ' O ' HG13 ' A' ' 90' ' ' ILE . 71.7 t -61.0 -41.67 90.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.85 -0.614 . . . . 72.24 110.306 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.414 ' HG ' ' HD2' ' A' ' 83' ' ' LYS . 4.3 m -57.08 -42.22 80.29 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.913 -0.585 . . . . 51.1 111.695 178.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.94 93.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.208 0.528 . . . . 62.43 110.7 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.404 ' HB1' ' HB3' ' A' ' 94' ' ' TYR . . . -70.84 -35.32 72.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.61 -0.723 . . . . 72.52 111.134 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 86' ' ' VAL . 78.0 mt -68.52 -40.01 81.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.863 0.363 . . . . 75.3 110.397 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -61.53 -38.29 86.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.95 -0.568 . . . . 71.22 110.885 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -77.99 -41.35 36.25 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.808 -0.357 . . . . 74.31 110.447 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 121.16 17.12 4.14 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.357 -0.925 . . . . 71.21 113.175 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.404 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 40.6 t80 -79.07 -39.82 32.85 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.959 -0.756 . . . . 72.41 108.959 175.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 75.5 mmm -98.82 116.5 31.2 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.382 -0.826 . . . . 64.34 108.802 171.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -82.58 -31.17 29.13 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.11 0.481 . . . . 72.33 111.524 -171.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -127.55 135.53 50.46 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.959 -0.564 . . . . 73.24 111.073 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.412 ' OD1' ' HD2' ' A' ' 99' ' ' PRO . 0.4 OUTLIER -67.07 141.47 96.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 61.31 110.28 172.277 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.412 ' HD2' ' OD1' ' A' ' 98' ' ' ASP . 58.4 Cg_endo -74.29 -29.04 9.97 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.209 1.94 . . . . 74.54 111.518 175.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.763 ' HA ' ' HD1' ' A' ' 103' ' ' PHE . 93.4 m-85 -86.1 -8.79 57.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.699 -0.682 . . . . 74.45 111.104 -178.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.58 -30.12 70.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.899 -0.592 . . . . 75.24 110.974 -177.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -99.46 10.11 41.99 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.113 0.412 . . . . 74.54 112.113 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.763 ' HD1' ' HA ' ' A' ' 100' ' ' PHE . 30.8 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.373 0.606 . . . . 63.01 109.774 172.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.499 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . 72.2 m-85 . . . . . 0 N--CA 1.447 -0.608 0 CA-C-O 121.734 0.778 . . . . 71.42 111.622 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.696 ' HD3' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -91.06 -22.26 20.83 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.649 -1.16 . . . . 71.32 112.2 -170.619 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.704 ' HB2' ' HB2' ' A' ' 12' ' ' ASP . 20.1 m -123.86 163.52 21.08 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.268 -0.424 . . . . 60.12 111.751 -174.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.491 ' HE1' HD23 ' A' ' 47' ' ' LEU . 18.0 m-85 -68.37 -54.85 14.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.677 -0.692 . . . . 73.35 109.84 -176.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.487 ' HB3' ' CD ' ' A' ' 42' ' ' GLU . 68.3 t60 -71.8 -22.22 61.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.399 -0.818 . . . . 75.41 109.834 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.704 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 38.8 t70 -65.18 -46.59 80.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.574 -0.739 . . . . 71.31 109.583 176.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.526 ' HD1' ' HB2' ' A' ' 85' ' ' TYR . 25.8 t80 -66.01 -44.35 85.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.599 -0.728 . . . . 73.42 109.697 175.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.583 HG22 ' HB3' ' A' ' 85' ' ' TYR . 58.0 t -56.39 -48.78 79.39 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-N 115.57 -0.741 . . . . 62.53 111.561 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.84 -47.41 84.95 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.736 0.273 . . . . 71.01 111.736 -174.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.8 t -64.27 -41.88 96.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.432 -0.349 . . . . 55.22 110.995 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -71.76 -44.29 64.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.22 -0.445 . . . . 63.01 110.398 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.827 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 31.9 ttm -68.06 -28.29 67.25 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.855 -0.611 . . . . 73.52 110.952 -177.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -52.3 -42.66 63.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 73.02 110.211 175.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.7 m -85.81 -40.56 15.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.387 0.613 . . . . 75.32 110.459 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.827 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 73.5 t80 -63.42 -16.53 60.82 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.227 -0.897 . . . . 75.14 111.912 -177.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.2 p -62.75 -18.38 62.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.525 -0.307 . . . . 73.54 111.394 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -69.61 -10.84 59.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.099 0.476 . . . . 74.31 111.319 177.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -109.52 2.61 20.55 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.153 -0.476 . . . . 75.51 110.02 176.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.415 ' HG ' HG22 ' A' ' 29' ' ' THR . 1.8 mp -120.27 132.82 55.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.719 -0.673 . . . . 74.53 111.701 -175.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -76.83 160.8 28.96 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.13 -0.693 . . . . 73.55 109.13 169.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.9 mm -64.71 -35.89 76.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.729 -0.214 . . . . 74.44 110.596 -177.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.503 ' HA2' ' NE ' ' A' ' 31' ' ' ARG . . . -55.91 -46.62 83.38 Favored Glycine 0 C--N 1.333 0.403 0 CA-C-N 116.125 -0.489 . . . . 74.44 113.042 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.415 HG22 ' HG ' ' A' ' 25' ' ' LEU . 8.9 t -79.5 -33.65 41.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.672 0.273 . . . . 73.14 111.062 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -59.68 -52.42 65.57 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.425 -0.352 . . . . 62.22 111.151 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.503 ' NE ' ' HA2' ' A' ' 28' ' ' GLY . 37.8 ptt180 -65.1 -24.45 67.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.002 -0.545 . . . . 75.33 111.22 -177.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -64.57 -15.99 61.92 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.995 -0.548 . . . . 73.15 111.498 -173.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -142.0 34.14 1.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.156 0.503 . . . . 74.21 110.732 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -95.62 -53.37 3.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.735 -0.666 . . . . 75.11 111.713 -177.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.1 m -70.3 -33.84 72.03 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.865 0.691 . . . . 71.35 112.865 -171.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 35.3 m -51.43 -69.68 0.11 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.406 0.891 . . . . 51.23 113.406 -169.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 65.7 mtm -67.11 -25.77 66.37 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.741 0.305 . . . . 72.31 111.468 -175.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -61.11 -52.0 66.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.278 0.561 . . . . 75.44 110.491 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.502 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -66.42 -38.26 87.06 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 114.998 -1.001 . . . . 74.33 110.579 -177.348 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.421 ' O ' ' HB3' ' A' ' 41' ' ' LYS . 87.8 t80 -55.21 -32.38 62.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.349 -0.842 . . . . 75.04 112.255 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 40' ' ' PHE . 56.6 tptt 69.52 103.71 0.06 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.352 0.596 . . . . 73.54 110.674 -176.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.551 ' HB3' ' HB3' ' A' ' 9' ' ' SER . 32.2 mm-40 -60.44 -80.25 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.045 -0.98 . . . . 70.02 112.327 -177.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.1 t80 53.31 40.33 31.15 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.266 -0.879 . . . . 71.02 111.012 -174.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.625 ' HB2' ' HA ' ' A' ' 9' ' ' SER . 58.2 m -89.09 148.05 23.91 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.034 -0.728 . . . . 64.24 109.034 174.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -110.56 30.55 6.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.059 0.457 . . . . 72.43 111.389 -170.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 129.57 136.29 4.05 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.512 -0.851 . . . . 64.13 112.471 177.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.605 HD22 ' HB2' ' A' ' 52' ' ' LEU . 3.0 tm? -121.33 126.35 49.25 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.167 0.508 . . . . 73.12 110.006 178.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -114.35 -177.83 3.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.659 -0.7 . . . . 70.42 110.319 -178.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.455 ' HA ' ' HG2' ' A' ' 95' ' ' MET . 44.8 t80 -67.56 -57.37 6.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.21 -0.45 . . . . 71.42 110.229 178.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -87.71 68.18 9.39 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.694 0.759 . . . . 63.31 109.856 178.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -152.01 -49.3 0.11 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.54 -1.209 . . . . 74.34 108.209 174.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.605 ' HB2' HD22 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -85.69 82.29 8.28 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 107.902 -1.147 . . . . 52.31 107.902 170.366 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.476 ' O ' HD23 ' A' ' 57' ' ' LEU . 41.2 p -122.58 -176.82 3.47 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.808 -0.633 . . . . 74.24 111.365 -173.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.483 ' H ' ' CD ' ' A' ' 54' ' ' GLU . 1.4 mp0 -53.13 -39.09 63.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.718 -0.674 . . . . 73.22 110.188 177.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -67.37 -38.52 84.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.125 -0.943 . . . . 74.13 110.741 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -69.32 -40.07 77.85 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.905 -0.405 . . . . 73.23 109.905 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.524 HD13 HD21 ' A' ' 79' ' ' LEU . 3.8 mm? -57.48 -50.81 71.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.007 -0.542 . . . . 74.12 110.975 177.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.494 ' O ' HG12 ' A' ' 62' ' ' ILE . 28.8 ptt180 -68.93 -37.11 78.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.451 -0.34 . . . . 74.34 110.802 -178.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -65.4 -44.25 88.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.842 0.353 . . . . 72.34 110.708 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -66.58 -37.82 85.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 72.15 109.772 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.3 tp -59.54 -53.92 52.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.626 -0.715 . . . . 64.53 110.149 174.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.494 HG12 ' O ' ' A' ' 58' ' ' ARG . 40.3 mm -56.7 -48.37 80.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.009 -0.542 . . . . 73.54 111.14 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -60.33 -45.55 93.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.134 0.492 . . . . 72.11 110.973 -178.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.68 ' HE1' ' HA ' ' A' ' 75' ' ' ALA . 12.5 ttp -71.47 -42.97 67.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.881 -0.599 . . . . 74.23 111.69 -177.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -72.26 -49.0 38.31 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.082 -0.508 . . . . 52.43 110.866 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -84.57 -62.96 1.42 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.783 -0.189 . . . . 73.34 110.971 -174.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 78.4 m -68.23 -49.82 58.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.751 0.31 . . . . 75.34 111.631 -174.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 64' ' ' MET . 93.6 mt -78.68 -8.02 58.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.707 0.289 . . . . 74.41 110.484 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 60.2 m 63.2 27.78 15.68 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.611 -0.722 . . . . 73.04 112.392 173.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -88.74 169.91 11.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.822 0.344 . . . . 75.3 110.942 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.32 168.34 11.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.933 -0.576 . . . . 75.12 110.121 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -69.62 -28.46 65.94 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.194 -0.202 . . . . 72.43 111.359 -177.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.4 m -57.04 -44.26 82.78 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.942 0.401 . . . . 71.13 110.532 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.0 m -69.46 -44.0 72.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.0 -0.545 . . . . 72.02 110.043 178.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.68 ' HA ' ' HE1' ' A' ' 64' ' ' MET . . . -60.71 -45.81 92.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.541 -0.754 . . . . 61.1 111.382 -179.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -62.88 -36.21 82.56 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.32 -0.4 . . . . 74.51 111.241 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.14 -46.03 75.32 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.032 0.444 . . . . 74.41 110.452 178.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -63.5 -44.03 95.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.881 -0.6 . . . . 71.43 110.826 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.524 HD21 HD13 ' A' ' 57' ' ' LEU . 72.7 mt -64.2 -33.91 76.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.227 -0.442 . . . . 61.23 110.696 178.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.439 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 23.0 t -70.82 -24.47 62.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.666 0.269 . . . . 73.44 110.587 178.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.4 m -74.56 -41.58 60.28 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.466 -0.568 . . . . 63.43 109.466 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.695 HG22 ' HE2' ' A' ' 85' ' ' TYR . 85.9 mt -62.6 -39.39 84.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.39 -0.823 . . . . 74.31 109.524 172.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.503 ' O ' ' HB2' ' A' ' 87' ' ' SER . 2.3 tmtt? -54.39 -32.23 56.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.374 -0.83 . . . . 75.34 111.061 178.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 80' ' ' SER . 76.7 mt -62.25 -52.44 60.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 111.384 0.142 . . . . 54.54 111.384 -178.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.695 ' HE2' HG22 ' A' ' 82' ' ' ILE . 1.1 p90 -72.97 -31.91 64.86 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.45 -0.5 . . . . 74.21 110.167 -177.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 90' ' ' ILE . 76.1 t -65.02 -50.76 73.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 70.13 110.096 176.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.503 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 0.5 OUTLIER -58.54 -37.78 76.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.992 -0.549 . . . . 74.52 111.239 178.818 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.91 -42.74 80.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.033 0.444 . . . . 74.45 110.496 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.64 ' HA ' ' HA3' ' A' ' 93' ' ' GLY . . . -68.46 -27.17 65.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.785 -0.643 . . . . 71.54 111.53 -179.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 86' ' ' VAL . 93.4 mt -79.01 -31.74 14.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.096 0.474 . . . . 71.25 110.308 177.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.3 tttt -76.4 -43.27 41.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.836 -0.62 . . . . 75.04 109.628 -176.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 38.1 tptt -170.19 75.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.8 -0.636 . . . . 75.14 110.388 170.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.64 ' HA3' ' HA ' ' A' ' 89' ' ' ALA . . . -146.51 -63.88 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.284 -0.96 . . . . 74.52 113.324 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -161.49 -51.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 71.35 110.736 -173.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.455 ' HG2' ' HA ' ' A' ' 49' ' ' PHE . 90.1 mtp -76.0 163.97 26.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.975 -0.557 . . . . 74.13 110.967 -177.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -128.09 -36.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.104 -0.498 . . . . 63.04 111.471 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.447 ' H ' ' HE1' ' A' ' 49' ' ' PHE . 16.0 m120 -114.68 141.39 47.87 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.175 -0.466 . . . . 73.21 110.04 -177.082 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.566 ' OD1' ' HD2' ' A' ' 99' ' ' PRO . 0.4 OUTLIER -77.99 141.38 63.17 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.883 -0.599 . . . . 75.24 110.422 179.297 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.566 ' HD2' ' OD1' ' A' ' 98' ' ' ASP . 29.9 Cg_endo -65.28 -53.66 0.78 Allowed 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.622 2.215 . . . . 64.21 112.866 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.579 ' HA ' ' HB3' ' A' ' 103' ' ' PHE . 13.4 p90 -66.53 -25.0 66.46 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.969 0.414 . . . . 71.42 111.26 -172.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.545 ' O ' ' HD2' ' A' ' 101' ' ' LYS . 0.4 OUTLIER -63.91 -39.93 95.32 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.856 -0.611 . . . . 72.2 109.558 178.624 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.83 15.16 29.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.542 0.687 . . . . 64.12 109.764 -177.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.579 ' HB3' ' HA ' ' A' ' 100' ' ' PHE . 6.5 t80 . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 115.175 -0.92 . . . . 75.24 110.364 -175.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.654 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 5.0 m-85 . . . . . 0 N--CA 1.441 -0.91 0 N-CA-C 109.765 -0.457 . . . . 65.51 109.765 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.4 ' HE2' ' HB3' ' A' ' 8' ' ' LYS . 35.7 mtpt -96.48 -17.63 20.41 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.212 -0.449 . . . . 53.21 111.738 -177.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 t -146.77 170.78 16.28 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.751 -0.379 . . . . 65.22 111.378 -172.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.453 ' O ' HG23 ' A' ' 14' ' ' VAL . 43.4 p90 -61.35 -37.77 84.54 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.893 -0.594 . . . . 75.43 111.101 -176.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -63.27 -25.27 68.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.847 0.356 . . . . 75.14 110.906 -177.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.654 ' HB2' ' HB3' ' A' ' 7' ' ' PHE . 42.2 m-20 -80.53 -45.67 17.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.166 -0.47 . . . . 74.41 110.617 177.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -63.64 -48.37 77.52 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.665 -0.698 . . . . 73.04 110.93 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 10' ' ' PHE . 90.8 t -58.74 -41.28 82.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.972 -0.558 . . . . 72.41 110.665 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.05 -29.3 70.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.415 -0.357 . . . . 72.13 111.751 -176.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.2 t -82.66 -38.96 22.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.964 0.411 . . . . 52.03 110.746 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -76.72 -37.62 55.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.987 0.422 . . . . 74.51 110.811 -177.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 49.8 ttm -61.01 -28.97 69.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.736 -0.665 . . . . 72.23 111.486 -176.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -49.63 -35.98 22.95 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.061 0.458 . . . . 74.34 111.865 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.3 m -79.79 -39.57 30.58 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.179 -0.464 . . . . 73.22 110.966 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -69.3 -33.08 72.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 73.4 111.024 -177.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.6 p -66.85 -12.62 59.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.927 0.394 . . . . 63.45 111.323 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -76.78 -28.83 55.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.847 0.356 . . . . 71.33 110.471 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -107.88 13.04 26.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.461 0.648 . . . . 74.44 110.491 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.8 tp -115.31 135.73 53.84 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.99 -1.115 . . . . 61.21 107.99 173.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.411 ' CG ' HG22 ' A' ' 29' ' ' THR . 10.7 pt-20 -60.24 146.29 44.27 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 109.715 -0.476 . . . . 75.44 109.715 176.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.8 mm -68.96 -27.55 35.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 116.017 -0.538 . . . . 73.0 110.437 -175.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.01 -48.21 63.67 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.182 -0.533 . . . . 62.41 112.76 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.411 HG22 ' CG ' ' A' ' 26' ' ' GLU . 7.6 t -79.3 -47.96 14.96 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 121.031 -0.268 . . . . 74.32 110.99 -179.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -51.07 -45.89 61.57 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.322 0.49 . . . . 70.11 112.322 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -65.57 -21.71 66.62 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.986 0.365 . . . . 73.22 111.986 -174.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -69.49 -29.21 66.81 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.855 0.359 . . . . 72.01 111.27 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.494 ' HD2' HG23 ' A' ' 81' ' ' THR . 15.4 t60 -139.61 50.37 1.77 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.054 -0.721 . . . . 74.34 109.054 -174.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -89.32 -50.37 6.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.175 -0.92 . . . . 52.35 112.067 -170.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.5 m -103.57 2.81 33.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.901 0.381 . . . . 74.24 111.098 -174.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.1 m -62.07 -60.4 3.66 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.633 0.605 . . . . 74.25 112.633 -174.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -51.3 -38.68 54.2 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.731 0.641 . . . . 73.24 112.731 -171.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -66.98 -45.49 77.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.942 0.401 . . . . 75.34 111.271 -174.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -91.7 -30.96 16.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.86 -0.609 . . . . 74.12 112.191 -174.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.407 ' HE2' ' HH ' ' A' ' 60' ' ' TYR . 53.3 t80 -64.72 -24.64 67.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.232 0.539 . . . . 75.23 110.346 -178.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.428 ' HG2' ' CZ ' ' A' ' 10' ' ' PHE . 9.8 tptp -126.54 88.73 2.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.845 -0.616 . . . . 63.52 109.722 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.78 -4.73 52.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.775 -0.648 . . . . 61.44 110.657 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -125.07 -172.74 2.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.158 -0.474 . . . . 71.14 110.223 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 82.6 m 68.74 91.64 0.09 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.406 0.622 . . . . 75.41 111.324 -178.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -118.3 169.45 9.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.47 -0.786 . . . . 71.35 110.234 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.0 47.34 83.59 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.783 -0.722 . . . . 71.24 111.765 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.5 tt -93.93 112.15 23.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.9 0.381 . . . . 64.14 110.135 -176.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -96.47 176.14 6.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.879 -0.601 . . . . 60.34 110.184 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -58.02 -33.33 68.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.609 -0.723 . . . . 72.24 112.17 -176.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -67.05 -9.81 43.19 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.241 0.459 . . . . 74.12 112.241 -177.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -90.05 -23.51 21.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 73.43 110.856 177.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -99.35 90.86 4.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.295 0.569 . . . . 62.22 109.847 -177.102 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.44 ' O ' HD21 ' A' ' 57' ' ' LEU . 38.7 p -126.73 175.18 8.18 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.738 -0.665 . . . . 73.04 110.227 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.436 ' HB2' ' HB3' ' A' ' 102' ' ' ASP . 7.6 tm-20 -59.45 -35.46 74.09 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.394 -0.595 . . . . 71.41 109.394 173.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -57.48 -43.55 84.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.462 -0.79 . . . . 71.42 110.081 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -62.61 -47.56 83.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.635 -0.711 . . . . 75.52 110.782 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.44 HD21 ' O ' ' A' ' 53' ' ' THR . 4.4 mm? -59.75 -42.88 94.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.98 0.419 . . . . 54.34 110.579 178.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -61.68 -48.66 79.81 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.696 -0.684 . . . . 55.12 110.665 177.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -61.99 -41.39 98.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.718 -0.673 . . . . 74.34 111.199 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.407 ' HH ' ' HE2' ' A' ' 40' ' ' PHE . 2.6 t80 -65.74 -36.14 82.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.953 -0.567 . . . . 74.33 109.902 179.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 49.8 tp -62.14 -48.78 78.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.019 -0.537 . . . . 62.22 110.532 175.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 77.5 mt -60.25 -47.82 90.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.572 -0.74 . . . . 63.0 110.545 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -57.19 -39.76 76.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.936 -0.575 . . . . 72.35 110.529 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.734 ' HE1' HD21 ' A' ' 78' ' ' ASN . 7.5 tpp -65.0 -57.06 9.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.703 -0.681 . . . . 73.22 110.766 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -65.22 -38.14 89.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.847 -0.615 . . . . 63.54 110.812 -173.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -78.32 -63.36 1.42 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.813 -0.63 . . . . 65.41 111.286 -178.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 56.0 m -80.23 -46.01 17.01 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.603 0.594 . . . . 51.21 112.603 -173.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 73.8 mt -94.06 4.8 53.38 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.752 0.279 . . . . 73.15 111.752 -171.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 18.0 t 67.43 -164.77 0.21 Allowed 'General case' 0 CA--C 1.535 0.379 0 O-C-N 123.429 0.455 . . . . 73.4 110.198 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 73.27 -173.2 0.14 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.05 0.54 . . . . 71.14 110.625 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -126.78 -172.79 2.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.229 -0.441 . . . . 75.13 110.829 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -55.66 -38.43 69.58 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.947 -0.57 . . . . 74.55 111.856 -177.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.2 m -55.04 -44.71 74.93 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.773 0.32 . . . . 72.33 111.432 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.3 m -77.8 -28.17 50.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.225 0.536 . . . . 74.32 111.047 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.468 ' HA ' ' HE2' ' A' ' 64' ' ' MET . . . -71.97 -43.24 65.47 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.41 -0.359 . . . . 75.02 110.707 177.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -62.2 -44.48 96.49 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.008 -0.542 . . . . 64.43 111.48 -176.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -26.81 68.64 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.681 0.276 . . . . 74.34 111.011 -179.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.734 HD21 ' HE1' ' A' ' 64' ' ' MET . 51.8 t30 -77.32 -49.69 14.44 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 121.036 0.446 . . . . 62.13 110.297 175.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.08 -31.18 68.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.378 -0.828 . . . . 74.42 111.465 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.54 ' HA ' ' HB3' ' A' ' 83' ' ' LYS . 69.8 m -59.38 -28.78 67.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.087 -0.506 . . . . 73.21 112.227 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.494 HG23 ' HD2' ' A' ' 33' ' ' HIS . 74.7 p -66.83 -44.33 81.39 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.52 -0.472 . . . . 75.0 110.756 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.5 mt -71.17 -36.82 64.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 75.53 109.596 174.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.54 ' HB3' ' HA ' ' A' ' 80' ' ' SER . 76.5 tttt -53.56 -47.97 69.56 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.469 -0.787 . . . . 74.31 111.78 178.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 80' ' ' SER . 44.7 mm -55.52 -41.3 62.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.493 0.187 . . . . 74.24 111.19 -177.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -70.58 -48.14 56.75 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.696 -0.401 . . . . 63.34 110.093 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.653 ' O ' HG13 ' A' ' 90' ' ' ILE . 79.5 t -59.88 -54.97 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.974 -0.557 . . . . 74.4 110.769 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.799 ' HA ' HD11 ' A' ' 90' ' ' ILE . 2.3 m -55.41 -44.28 76.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.785 -0.643 . . . . 75.33 111.583 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.02 91.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.811 0.339 . . . . 63.22 110.607 177.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.06 -24.7 67.8 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.163 -0.471 . . . . 72.33 111.406 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.799 HD11 ' HA ' ' A' ' 87' ' ' SER . 76.1 mt -64.53 -53.05 47.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.361 178.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -77.33 -29.12 53.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.708 -0.678 . . . . 71.24 110.509 -178.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -66.18 -43.31 87.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.993 -0.549 . . . . 61.53 110.754 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 134.92 50.69 0.08 OUTLIER Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.128 -1.034 . . . . 45.2 113.915 175.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -140.78 -70.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 117.001 0.4 . . . . 73.2 110.675 172.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.468 ' HG3' HG13 ' A' ' 86' ' ' VAL . 81.7 mmm -65.29 140.15 58.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.01 0.433 . . . . 73.42 110.817 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -75.13 -48.41 23.86 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.748 -0.66 . . . . 75.34 111.076 -176.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -146.78 158.69 43.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.021 -0.536 . . . . 75.55 111.146 -173.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.05 142.1 87.23 Favored Pre-proline 0 N--CA 1.45 -0.474 0 CA-C-N 115.519 -0.764 . . . . 73.43 110.239 178.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.06 -36.07 2.73 Favored 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 122.458 2.105 . . . . 64.33 112.536 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.773 ' HA ' ' HD2' ' A' ' 103' ' ' PHE . 51.2 p90 -74.95 -17.85 60.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.563 0.697 . . . . 75.25 110.843 -178.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.416 ' HE3' ' HB3' ' A' ' 101' ' ' LYS . 0.6 OUTLIER -71.89 -25.22 61.84 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.228 -0.897 . . . . 74.44 110.404 179.202 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.436 ' HB3' ' HB2' ' A' ' 54' ' ' GLU . 33.4 t70 -95.22 7.24 46.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.97 -0.559 . . . . 70.44 111.381 -173.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.773 ' HD2' ' HA ' ' A' ' 100' ' ' PHE . 5.7 m-85 . . . . . 0 C--N 1.326 -0.425 0 N-CA-C 112.652 0.612 . . . . 75.44 112.652 -177.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.511 -0.556 0 CA-C-O 121.787 0.803 . . . . 73.13 111.948 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.781 ' HG3' ' HG ' ' A' ' 9' ' ' SER . 18.8 pttm -95.49 -36.03 11.46 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 113.796 -1.547 . . . . 74.45 111.218 -176.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.781 ' HG ' ' HG3' ' A' ' 8' ' ' LYS . 49.5 m -126.24 169.29 13.02 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.376 0.51 . . . . 60.21 112.376 -168.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -56.28 -43.47 78.85 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 115.416 -0.811 . . . . 75.52 111.952 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.3 p80 -65.47 -25.54 67.54 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.775 -0.37 . . . . 75.45 111.243 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -81.1 -46.19 15.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.09 0.472 . . . . 72.54 110.107 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.431 ' CD1' ' HD1' ' A' ' 85' ' ' TYR . 61.0 t80 -60.44 -52.59 64.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.558 -0.746 . . . . 72.32 110.992 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.7 t -61.02 -33.78 57.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.242 -0.435 . . . . 73.52 110.811 -177.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.97 95.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 72.13 110.821 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.0 t -79.46 -38.95 33.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.235 -0.438 . . . . 62.31 110.684 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -72.05 -38.11 69.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.426 -0.352 . . . . 53.31 110.792 -176.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.409 ' HE3' ' HB2' ' A' ' 18' ' ' MET . 35.7 tpp -60.1 -38.81 84.05 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.754 -0.461 . . . . 75.22 109.754 176.01 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.538 ' HD3' ' O ' ' A' ' 19' ' ' LYS . 1.7 tmtp? -73.61 -22.66 59.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.645 -0.707 . . . . 74.32 110.109 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.9 m -63.39 -56.42 16.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.357 -0.383 . . . . 71.21 110.812 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -88.15 -3.27 58.9 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 120.808 -0.357 . . . . 75.42 111.365 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.817 ' HA ' ' HB2' ' A' ' 25' ' ' LEU . 43.2 t -56.03 -18.78 10.41 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.302 -0.408 . . . . 74.43 111.022 173.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -51.82 -35.88 45.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.984 -0.553 . . . . 73.41 111.047 175.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.3 mtt-85 -112.64 8.43 19.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.256 -0.429 . . . . 73.42 111.342 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.817 ' HB2' ' HA ' ' A' ' 22' ' ' SER . 3.8 mp -86.87 121.28 29.14 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.691 -0.485 . . . . 74.21 109.691 176.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -68.51 165.58 18.76 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.912 -0.585 . . . . 72.51 110.377 175.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.44 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 58.8 mt -61.03 -35.72 67.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.568 -0.742 . . . . 73.05 111.089 -175.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.52 -60.75 8.11 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-N 116.136 -0.484 . . . . 44.31 113.508 -177.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.7 t -66.99 -37.1 83.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.042 0.421 . . . . 75.32 111.387 -177.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -63.99 -45.91 86.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.58 -0.282 . . . . 75.33 111.543 -175.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 27' ' ' ILE . 16.1 ptm180 -74.3 -20.28 60.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.709 0.29 . . . . 73.54 111.462 -176.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.83 -59.12 3.3 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.244 0.461 . . . . 71.01 112.244 -175.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -100.16 23.08 10.47 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.894 0.331 . . . . 54.41 111.894 -173.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -73.35 -48.37 34.81 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 121.014 0.435 . . . . 71.21 111.568 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 m -72.48 -22.56 61.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.021 -0.536 . . . . 63.23 111.888 -174.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.517 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 60.9 m -56.13 -60.34 3.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.83 0.347 . . . . 72.42 111.684 -175.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 54.0 ttp -72.03 -27.3 62.62 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.255 -0.43 . . . . 63.32 110.859 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 38' ' ' ARG . 8.7 mtt180 -72.05 -26.98 62.4 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.787 0.662 . . . . 72.2 112.787 -174.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 36' ' ' CYS . 59.1 pttt -72.38 -22.03 61.2 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.753 -0.779 . . . . 73.25 109.9 177.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -88.91 1.07 55.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.453 0.644 . . . . 75.3 110.095 177.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 24.6 ttpp -75.32 6.09 4.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.706 -0.679 . . . . 73.25 111.542 -175.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -100.11 9.13 43.31 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.466 0.651 . . . . 73.01 109.98 174.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -90.62 103.68 16.35 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.456 -0.942 . . . . 73.32 108.456 173.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.1 t -63.05 -37.41 87.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 75.21 111.155 -173.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' HB3' ' H ' ' A' ' 46' ' ' GLY . 47.4 mt-10 -83.17 -157.09 0.21 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.154 0.502 . . . . 54.23 110.288 176.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.447 ' HA3' ' CB ' ' A' ' 9' ' ' SER . . . -169.96 -128.23 1.0 Allowed Glycine 0 N--CA 1.438 -1.229 0 C-N-CA 120.528 -0.844 . . . . 72.02 112.007 178.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.516 ' HG ' ' HB2' ' A' ' 51' ' ' GLU . 9.3 tt -169.67 127.76 0.93 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.035 -0.728 . . . . 60.2 109.035 -174.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -101.05 -177.57 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.621 -0.263 . . . . 73.33 111.029 -177.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -55.15 -37.35 66.87 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.299 -0.409 . . . . 74.22 112.006 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -72.92 -30.42 63.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.171 -0.468 . . . . 75.03 111.126 -177.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.516 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . 11.4 mp0 -86.49 -11.36 51.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.101 -0.499 . . . . 63.44 110.572 -176.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.448 ' CD1' ' HG3' ' A' ' 99' ' ' PRO . 0.8 OUTLIER -74.01 94.84 2.42 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.316 -0.624 . . . . 61.11 109.316 178.732 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.0 p -125.67 162.92 23.93 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.058 -0.519 . . . . 74.31 110.842 -177.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.47 -36.79 74.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 72.22 110.241 176.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -57.5 -42.92 83.68 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.145 -0.479 . . . . 64.32 111.248 -177.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.438 ' HD2' HD23 ' A' ' 57' ' ' LEU . 76.1 t80 -62.26 -51.6 67.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.828 0.347 . . . . 75.41 110.304 178.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.438 HD23 ' HD2' ' A' ' 56' ' ' PHE . 4.4 mm? -60.69 -45.06 95.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.783 -0.644 . . . . 71.22 110.974 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -65.01 -50.3 66.84 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.307 -0.86 . . . . 74.55 111.008 -177.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -64.21 -37.79 88.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.082 -0.508 . . . . 64.21 111.177 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.417 ' HD2' HD23 ' A' ' 79' ' ' LEU . 49.8 t80 -71.29 -37.23 71.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 73.43 110.368 -179.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.482 HD22 ' HZ ' ' A' ' 103' ' ' PHE . 49.1 tp -57.27 -53.4 58.5 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.163 -0.471 . . . . 74.14 110.14 175.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.9 mt -60.42 -48.69 87.35 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.459 0 CA-C-N 115.643 -0.708 . . . . 75.22 110.177 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -53.98 -41.7 68.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.101 0.477 . . . . 73.31 111.26 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.508 ' HE1' ' HA ' ' A' ' 75' ' ' ALA . 6.2 ttp -70.38 -40.89 73.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.922 -0.581 . . . . 75.22 111.723 -176.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.613 ' HA ' ' H ' ' A' ' 70' ' ' ASN . 21.9 ptmt -83.73 -24.69 31.06 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 111.825 0.306 . . . . 72.34 111.825 -178.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -93.88 -63.92 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.567 -0.288 . . . . 74.35 111.75 -175.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.3 m -79.24 -39.1 33.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.954 0.407 . . . . 71.42 111.042 -174.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 64' ' ' MET . 87.8 mt -88.74 -14.17 37.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.29 -0.414 . . . . 74.51 110.644 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.428 ' C ' HD21 ' A' ' 70' ' ' ASN . 45.6 t 54.29 76.82 0.22 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.728 -0.669 . . . . 72.23 111.636 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.613 ' H ' ' HA ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -120.87 162.07 20.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.162 -0.472 . . . . 75.35 109.981 176.326 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.56 162.91 24.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.291 -0.413 . . . . 64.31 110.43 177.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.97 -47.3 85.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.263 -0.426 . . . . 62.13 110.877 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.4 m -66.85 -20.14 65.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.579 . . . . 63.55 111.514 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.9 m -83.54 -48.05 10.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.189 0.519 . . . . 72.0 110.238 178.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.508 ' HA ' ' HE1' ' A' ' 64' ' ' MET . . . -63.46 -46.9 84.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.696 -0.684 . . . . 63.12 111.116 -178.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -59.88 -36.13 76.29 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.924 -0.58 . . . . 72.45 111.047 178.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -66.79 -41.4 87.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.113 0.482 . . . . 75.51 110.517 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -70.03 -37.54 75.63 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.807 -0.633 . . . . 64.21 110.193 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.417 HD23 ' HD2' ' A' ' 60' ' ' TYR . 65.0 mt -65.18 -34.1 77.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.794 -0.639 . . . . 71.31 111.077 176.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.461 ' HA ' ' HB3' ' A' ' 83' ' ' LYS . 68.3 m -60.0 -21.74 61.69 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.373 -0.376 . . . . 75.01 111.831 177.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.2 m -73.09 -43.31 61.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 72.45 110.486 178.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.7 mt -70.9 -32.87 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.463 0.649 . . . . 65.5 109.279 174.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.461 ' HB3' ' HA ' ' A' ' 80' ' ' SER . 78.2 tttt -52.4 -38.85 60.0 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.031 -0.986 . . . . 75.21 111.933 175.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 50.1 mm -57.87 -37.9 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.363 . . . . 73.2 110.454 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.431 ' HD1' ' CD1' ' A' ' 13' ' ' PHE . 79.1 t80 -68.24 -50.45 53.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.319 0.58 . . . . 74.41 109.97 177.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.452 ' O ' HG13 ' A' ' 90' ' ' ILE . 48.2 t -58.75 -55.56 22.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 114.96 -1.018 . . . . 75.42 111.056 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 1.5 m -61.54 -35.36 77.53 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.047 -0.979 . . . . 64.3 112.128 -175.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.99 -36.38 75.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.962 0.411 . . . . 74.23 110.753 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.77 -25.62 61.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 74.44 111.17 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.573 HD12 ' HB3' ' A' ' 98' ' ' ASP . 66.6 mt -82.76 -33.08 10.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.06 0.457 . . . . 71.42 110.839 176.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -69.4 -45.29 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.822 -0.626 . . . . 64.2 110.133 -175.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -163.47 68.64 0.2 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.215 0.531 . . . . 60.03 109.736 172.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -136.29 -76.66 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.457 -0.878 . . . . 65.31 112.49 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -157.46 -40.82 0.07 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.743 0.306 . . . . 75.02 111.134 -175.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 83.5 mtp -73.16 137.47 45.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 73.23 111.267 -175.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -96.12 -47.27 6.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 74.35 110.638 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -107.55 157.82 17.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.123 -0.49 . . . . 61.43 109.952 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.573 ' HB3' HD12 ' A' ' 90' ' ' ILE . 3.5 p-10 -108.44 153.52 42.01 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 115.443 -0.799 . . . . 55.51 110.982 -175.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.448 ' HG3' ' CD1' ' A' ' 52' ' ' LEU . 73.9 Cg_endo -75.07 -20.07 17.08 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.644 2.229 . . . . 63.25 113.007 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.792 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 40.7 p90 -85.28 -5.68 59.3 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.431 0.634 . . . . 71.43 111.473 -176.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -61.57 -43.48 98.78 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.085 -0.962 . . . . 75.2 109.998 168.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.7 6.83 32.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.315 -0.857 . . . . 73.34 111.009 -178.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.792 ' HB2' ' HA ' ' A' ' 100' ' ' PHE . 66.7 t80 . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 121.621 0.724 . . . . 74.02 110.194 -177.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 120.812 0.339 . . . . 73.23 111.257 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.64 ' HD2' ' HG2' ' A' ' 42' ' ' GLU . 3.5 ptpt -54.01 -38.46 65.14 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.987 -0.552 . . . . 70.51 110.955 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.541 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 32.0 t -162.08 164.91 27.84 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.855 -0.794 . . . . 71.21 108.855 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.553 ' O ' HG21 ' A' ' 14' ' ' VAL . 80.4 m-85 -63.44 -28.66 70.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.542 -0.299 . . . . 74.42 111.116 -178.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -64.61 -38.6 91.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 60.42 110.78 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -70.81 -35.23 72.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.415 0.626 . . . . 75.32 110.099 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -64.31 -39.22 93.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.349 -0.841 . . . . 75.23 110.09 174.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.619 HG12 ' HB ' ' A' ' 81' ' ' THR . 69.2 t -55.43 -47.87 77.74 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.165 0 CA-C-N 116.015 -0.538 . . . . 64.23 110.312 175.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.63 -44.09 93.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.399 . . . . 63.43 111.075 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.5 t -61.81 -40.89 96.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.959 -0.564 . . . . 65.15 110.992 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -75.72 -34.38 60.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.984 0.421 . . . . 71.01 110.238 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.669 ' HA ' ' CE1' ' A' ' 21' ' ' TYR . 39.0 ttm -64.7 -44.55 89.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.67 -0.695 . . . . 75.25 111.496 -175.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -65.8 -22.64 66.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.939 0.399 . . . . 73.42 110.501 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.3 m -76.73 -52.46 9.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.189 -0.459 . . . . 63.42 110.896 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.669 ' CE1' ' HA ' ' A' ' 18' ' ' MET . 3.8 p90 -80.46 0.83 31.82 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 120.766 -0.374 . . . . 74.55 110.76 -178.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.5 t -57.72 -25.35 60.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 73.44 110.828 175.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.3 mtm105 -67.71 -19.79 65.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.171 0.51 . . . . 75.55 110.87 177.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -108.76 13.23 25.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.814 -0.63 . . . . 73.44 110.088 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.607 ' HG ' HG22 ' A' ' 29' ' ' THR . 15.4 tp -127.05 141.4 51.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.311 -0.404 . . . . 71.22 110.361 -176.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.409 ' HB3' HG23 ' A' ' 29' ' ' THR . 0.5 OUTLIER -62.35 151.01 37.98 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.099 -0.5 . . . . 73.31 109.819 174.005 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.7 mt -67.29 -42.04 87.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 116.133 -0.485 . . . . 74.23 110.524 -177.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.67 -42.1 96.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.115 -0.564 . . . . 61.44 112.89 -177.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.607 HG22 ' HG ' ' A' ' 25' ' ' LEU . 7.8 t -78.08 -40.38 38.62 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 122.706 -0.291 . . . . 74.03 110.813 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.599 ' HE1' ' HG2' ' A' ' 18' ' ' MET . 88.3 t80 -56.06 -52.45 64.21 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.094 0.474 . . . . 72.23 110.324 173.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 31' ' ' ARG . 14.8 ttt-85 -55.08 -34.98 64.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.365 -0.834 . . . . 74.42 111.428 177.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -68.22 -16.99 64.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.497 -0.774 . . . . 71.2 112.241 -172.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -144.77 28.79 1.26 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.251 0.463 . . . . 75.21 112.251 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -90.87 -33.66 15.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.853 0.359 . . . . 73.01 111.756 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -80.67 -21.15 41.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.034 -0.53 . . . . 72.15 111.879 -174.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 63.4 m -51.37 -61.68 2.09 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 112.921 0.712 . . . . 65.32 112.921 -172.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -61.84 -36.35 80.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.481 -0.327 . . . . 74.15 111.525 -175.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.766 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -69.81 -47.85 61.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.151 -0.477 . . . . 54.3 111.164 -174.899 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -67.73 -30.36 69.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.14 -0.482 . . . . 61.45 110.583 -176.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -63.53 -31.25 72.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.783 -0.644 . . . . 75.43 110.476 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.418 ' HE2' ' HB3' ' A' ' 41' ' ' LYS . 48.7 mtpt 53.5 90.24 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.907 0.755 . . . . 71.44 110.119 -172.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.64 ' HG2' ' HD2' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -74.68 111.28 9.72 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.669 -0.696 . . . . 73.42 112.404 -170.856 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -107.68 14.47 25.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.232 -0.894 . . . . 63.53 108.895 169.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.9 t -62.55 109.17 1.3 Allowed 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.536 -1.211 . . . . 75.35 110.543 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -136.16 137.01 40.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.762 -0.654 . . . . 73.34 110.479 -176.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.66 10.65 32.6 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.87 -0.681 . . . . 54.53 112.458 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.493 HD21 ' HB2' ' A' ' 51' ' ' GLU . 1.2 tt -85.77 111.63 20.32 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.633 -0.506 . . . . 65.33 109.633 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.604 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 2.8 mp0 -83.28 -173.84 4.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.672 -0.24 . . . . 75.54 110.574 177.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.457 ' HB3' ' SD ' ' A' ' 95' ' ' MET . 92.5 m-85 -76.83 -47.73 20.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.956 0.407 . . . . 73.43 110.473 -176.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -81.55 2.74 27.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.819 0.342 . . . . 70.32 110.66 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.604 ' HG2' ' HB2' ' A' ' 48' ' ' GLN . 17.8 mm-40 -85.8 -14.38 45.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.356 0.598 . . . . 62.23 109.64 174.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.09 82.56 7.67 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.608 -0.886 . . . . 75.23 108.608 175.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.47 ' O ' HD22 ' A' ' 57' ' ' LEU . 26.6 p -121.54 179.12 4.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.782 -0.645 . . . . 71.55 111.706 -174.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 99' ' ' PRO . 59.0 mp0 -56.91 -36.41 70.14 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.468 -0.787 . . . . 62.34 110.664 176.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.35 -40.51 85.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.756 -0.656 . . . . 74.11 110.358 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -63.32 -46.43 86.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 70.14 110.222 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.47 HD22 ' O ' ' A' ' 53' ' ' THR . 4.3 mm? -57.23 -43.73 83.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.312 -0.404 . . . . 74.15 110.867 178.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -65.12 -50.48 65.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.19 -0.459 . . . . 74.15 110.838 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.05 -43.22 99.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.093 -0.503 . . . . 74.24 111.211 -178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -68.95 -34.24 75.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.869 -0.605 . . . . 72.43 110.246 -178.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.661 ' HB2' HD12 ' A' ' 79' ' ' LEU . 52.5 tp -59.58 -51.12 71.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 74.12 110.11 174.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.3 mt -58.89 -46.54 91.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.28 -0.873 . . . . 75.01 110.853 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -61.7 -40.27 94.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.927 0.394 . . . . 75.01 110.671 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.577 ' O ' ' HB2' ' A' ' 68' ' ' LEU . 5.4 tpp -62.9 -45.76 91.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.694 -0.684 . . . . 64.12 110.675 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -76.77 -32.59 57.82 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.379 -0.828 . . . . 74.53 111.114 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -80.65 -64.43 1.19 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.327 -0.397 . . . . 74.23 111.715 -176.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.7 m -79.95 -46.84 16.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.523 -0.308 . . . . 71.3 111.799 -173.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.577 ' HB2' ' O ' ' A' ' 64' ' ' MET . 80.3 mt -74.7 -14.09 60.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.568 -0.287 . . . . 65.24 111.173 -176.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.1 t 68.58 20.67 8.28 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.27 0.557 . . . . 64.24 110.952 175.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -80.98 148.65 29.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.22 -0.445 . . . . 74.41 109.851 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.65 161.11 30.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.284 -0.416 . . . . 71.31 110.404 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.66 -52.59 55.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.013 -0.54 . . . . 71.44 110.798 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.543 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 13.6 m -64.14 -34.84 78.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.716 -0.675 . . . . 70.23 111.184 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.5 m -67.84 -39.5 83.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.11 0.481 . . . . 55.54 110.501 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.76 -33.46 75.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.989 -0.551 . . . . 71.4 110.332 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -62.0 -37.38 84.63 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.856 -0.611 . . . . 54.11 110.332 174.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 73' ' ' SER . 28.6 mmt180 -64.35 -45.42 87.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 73.21 109.815 176.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -63.5 -37.88 89.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.332 -0.849 . . . . 74.4 111.375 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.661 HD12 ' HB2' ' A' ' 61' ' ' LEU . 88.9 mt -71.72 -35.48 70.19 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.94 0.4 . . . . 70.23 110.732 177.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.581 ' O ' HG12 ' A' ' 84' ' ' ILE . 31.5 t -65.19 -25.53 67.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.977 -0.556 . . . . 71.32 111.391 -177.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.619 ' HB ' HG12 ' A' ' 14' ' ' VAL . 70.6 p -63.3 -49.83 72.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.099 0.476 . . . . 71.2 110.461 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.645 HG23 ' HE2' ' A' ' 85' ' ' TYR . 70.2 mt -63.55 -41.03 91.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.633 -0.712 . . . . 71.24 110.136 177.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 87' ' ' SER . 14.7 tmtt? -57.89 -31.77 67.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.536 -0.756 . . . . 75.02 111.241 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.581 HG12 ' O ' ' A' ' 80' ' ' SER . 45.3 mm -60.38 -51.82 68.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 C-N-CA 120.987 -0.285 . . . . 51.51 111.148 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.645 ' HE2' HG23 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -74.15 -34.75 63.94 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.567 -0.453 . . . . 74.11 110.349 -176.822 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 90' ' ' ILE . 69.8 t -64.21 -45.54 96.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.816 0.341 . . . . 73.0 110.123 177.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.506 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 0.6 OUTLIER -56.22 -34.58 66.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.933 -0.576 . . . . 63.11 111.082 177.082 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.36 -38.87 63.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 43.52 110.727 177.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.67 -24.68 64.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.981 -0.554 . . . . 64.11 111.468 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 86' ' ' VAL . 63.4 mt -81.18 -30.06 11.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.091 0.472 . . . . 74.22 110.085 175.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.01 -44.14 63.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.951 -0.568 . . . . 61.12 109.765 -176.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -167.06 71.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.299 0.571 . . . . 74.23 110.267 174.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -140.0 -77.45 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.391 -0.822 . . . . 74.44 112.412 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -160.79 -35.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.782 0.325 . . . . 74.55 110.929 -177.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.457 ' SD ' ' HB3' ' A' ' 49' ' ' PHE . 88.8 mmm -66.67 121.57 15.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.156 -0.474 . . . . 72.14 111.07 -179.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -83.18 -41.78 18.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.757 -0.656 . . . . 64.51 110.628 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -116.32 164.36 14.64 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.297 -0.865 . . . . 74.41 111.241 -169.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.863 ' HB2' ' HB2' ' A' ' 101' ' ' LYS . 4.0 m-20 -95.41 143.86 26.83 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.203 -0.908 . . . . 71.11 111.462 -173.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.463 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 5.4 Cg_exo -81.92 -1.78 11.01 Favored 'Trans proline' 0 C--O 1.225 -0.146 0 C-N-CA 124.085 3.19 . . . . 54.22 111.685 173.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.636 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 29.8 p90 -128.3 25.56 5.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.497 1.142 . . . . 72.54 110.32 177.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.863 ' HB2' ' HB2' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -81.27 -38.13 27.36 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 113.3 -1.773 . . . . 74.42 110.385 -179.354 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -105.23 9.31 34.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 75.42 110.59 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.636 ' HB2' ' HA ' ' A' ' 100' ' ' PHE . 15.1 t80 . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.043 -0.526 . . . . 75.42 111.2 -171.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 . . . . . 0 N--CA 1.444 -0.741 0 CA-C-O 121.047 0.451 . . . . 73.11 110.325 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -97.62 -21.25 17.15 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.608 -0.724 . . . . 65.0 111.336 -177.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.467 ' HB2' ' OD1' ' A' ' 12' ' ' ASP . 19.3 m -101.09 142.11 33.0 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.893 -0.594 . . . . 64.22 111.199 -173.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -58.57 -45.76 88.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.88 -0.6 . . . . 75.34 111.865 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.487 ' HB2' ' HA ' ' A' ' 38' ' ' ARG . 4.2 p80 -68.51 -21.53 64.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.832 0.349 . . . . 70.23 110.859 -177.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.467 ' OD1' ' HB2' ' A' ' 9' ' ' SER . 3.2 m-20 -81.67 -49.95 9.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.899 -0.591 . . . . 51.42 110.926 175.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.617 ' CD1' ' HB2' ' A' ' 85' ' ' TYR . 7.6 t80 -59.8 -47.19 86.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.656 -0.702 . . . . 73.2 110.617 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.7 t -59.52 -40.76 82.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.266 -0.425 . . . . 70.22 111.018 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.17 -38.51 91.33 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.96 0.41 . . . . 73.34 110.875 -178.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -74.5 -42.75 58.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.033 -0.53 . . . . 73.21 110.864 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -68.68 -34.67 76.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.019 0.437 . . . . 75.41 109.95 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.447 ' O ' ' HB2' ' A' ' 22' ' ' SER . 33.4 tpp -63.47 -36.39 83.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.819 -0.628 . . . . 75.41 109.909 176.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -69.41 -31.39 69.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.565 -0.743 . . . . 72.32 109.973 175.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.3 m -63.64 -57.13 11.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 73.43 111.418 -177.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -89.7 5.78 44.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.106 0.479 . . . . 72.5 111.289 -177.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.532 ' HA ' ' HB2' ' A' ' 25' ' ' LEU . 42.3 t -60.52 -10.42 5.02 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.841 -0.618 . . . . 75.22 111.445 173.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -55.66 -25.69 40.66 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.596 0.358 . . . . 74.34 111.874 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -118.14 19.56 13.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.983 0.421 . . . . 73.44 110.845 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.532 ' HB2' ' HA ' ' A' ' 22' ' ' SER . 4.3 mp -109.56 130.22 55.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.257 -0.429 . . . . 60.53 111.027 -178.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -70.02 157.75 36.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.811 -0.631 . . . . 74.35 110.888 174.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.408 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 40.8 mm -56.34 -39.07 58.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.977 -0.556 . . . . 63.12 110.806 176.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.488 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -51.05 -50.45 39.02 Favored Glycine 0 CA--C 1.519 0.333 0 CA-C-N 116.165 -0.47 . . . . 74.53 113.067 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 t -79.38 -37.87 36.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.967 0.384 . . . . 74.45 110.861 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -64.36 -46.28 84.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.487 -0.324 . . . . 61.22 111.327 -174.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.777 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 31.9 ptt180 -75.06 -23.74 58.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.742 0.306 . . . . 70.43 110.548 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.488 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 2.8 t60 -66.06 -16.3 63.8 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.285 0.564 . . . . 75.21 110.222 -178.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.494 ' O ' ' HE3' ' A' ' 37' ' ' MET . 1.7 p-80 -144.58 46.17 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.443 -0.799 . . . . 74.42 109.509 174.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.777 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 26.0 tptp -78.43 -75.27 0.23 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.628 -0.714 . . . . 72.11 111.478 -175.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 4.0 m -105.53 -4.64 20.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.632 -175.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.7 m -51.14 -59.64 3.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.497 -0.774 . . . . 63.5 112.747 -172.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.494 ' HE3' ' O ' ' A' ' 33' ' ' HIS . 3.8 mpp? -64.9 -31.33 72.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.165 -0.47 . . . . 75.01 112.158 -175.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.487 ' HA ' ' HB2' ' A' ' 11' ' ' HIS . 41.4 ttt180 -77.2 -42.34 37.89 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.612 -0.435 . . . . 71.33 111.086 -175.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.438 ' HE2' ' HB3' ' A' ' 39' ' ' LYS . 50.1 mtpt -63.57 -70.47 0.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.899 -0.591 . . . . 71.01 112.127 -178.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.486 ' CE1' ' HG ' ' A' ' 68' ' ' LEU . 44.1 t80 -54.36 -43.98 71.81 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.255 -0.884 . . . . 75.21 111.875 -175.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -83.86 65.26 8.52 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.98 -0.748 . . . . 73.24 108.98 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.28 -25.4 65.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.029 -0.987 . . . . 75.24 113.079 -169.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -71.36 129.93 40.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.452 0.644 . . . . 74.21 111.882 -173.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 74.6 m -114.29 166.3 11.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.31 -0.859 . . . . 71.13 109.91 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.45 ' CD ' ' H ' ' A' ' 46' ' ' GLY . 0.2 OUTLIER 66.61 177.39 0.23 Allowed 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.564 0.54 . . . . 74.34 109.856 -178.127 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.45 ' H ' ' CD ' ' A' ' 45' ' ' GLU . . . 71.8 37.77 61.02 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.754 -0.736 . . . . 43.41 111.642 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -146.42 131.03 17.83 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.516 -0.55 . . . . 61.33 109.516 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.518 ' H ' ' HB2' ' A' ' 51' ' ' GLU . 0.4 OUTLIER -138.64 -170.32 2.81 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.005 -0.739 . . . . 71.1 109.005 178.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -82.44 -32.22 29.09 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.079 0.466 . . . . 70.24 110.878 -176.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -91.62 -2.59 57.03 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.104 0.478 . . . . 74.32 110.328 177.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.518 ' HB2' ' H ' ' A' ' 48' ' ' GLN . 40.8 mm-40 -81.1 -32.62 33.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.373 0.606 . . . . 71.3 109.539 173.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.04 87.22 7.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.25 -0.886 . . . . 72.21 109.362 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.453 ' O ' HD23 ' A' ' 57' ' ' LEU . 27.1 p -128.34 -179.31 4.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.902 -0.59 . . . . 74.05 111.336 -176.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.681 ' CG ' ' HA ' ' A' ' 103' ' ' PHE . 4.1 tm-20 -61.12 -41.64 97.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 70.51 110.27 176.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.81 -44.35 81.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 65.21 110.295 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -63.16 -51.61 65.73 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.53 -0.759 . . . . 73.21 110.323 177.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.488 HD12 HD23 ' A' ' 79' ' ' LEU . 3.4 mm? -59.87 -42.67 94.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.478 -0.328 . . . . 63.4 111.656 -178.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.08 -46.58 89.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.206 -0.452 . . . . 72.23 110.877 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -71.95 -37.07 70.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.058 0.456 . . . . 73.02 110.828 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -69.27 -30.32 68.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.764 -0.653 . . . . 75.33 110.998 -175.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 58.8 tp -62.89 -48.8 77.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.219 0.533 . . . . 71.12 109.988 174.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 57.3 mt -62.03 -44.85 99.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.403 -0.817 . . . . 63.05 110.107 175.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -55.64 -40.65 72.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.808 -0.633 . . . . 74.51 110.94 177.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.423 ' HE3' ' HB2' ' A' ' 64' ' ' MET . 10.2 tpp -64.68 -49.54 70.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.338 0.589 . . . . 72.21 110.244 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 7.3 tmtt? -63.33 -40.1 96.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.439 -0.8 . . . . 73.34 110.758 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -78.68 -64.29 1.21 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.299 0.481 . . . . 73.41 112.299 -177.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 46.3 m -78.14 -38.41 43.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 75.42 112.148 -169.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.486 ' HG ' ' CE1' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -83.31 -13.61 54.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.077 0.465 . . . . 73.55 109.841 179.219 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.4 t 60.28 37.83 20.15 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.671 -0.695 . . . . 71.23 110.045 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.419 ' O ' ' HA ' ' A' ' 65' ' ' LYS . 0.9 OUTLIER -101.38 156.3 17.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.791 -0.641 . . . . 72.43 110.308 178.426 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.08 169.29 16.05 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.421 -0.585 . . . . 75.03 109.421 174.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -32.5 74.19 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.928 -0.309 . . . . 61.22 110.288 -175.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.3 m -58.27 -46.64 85.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.132 0.491 . . . . 75.21 110.664 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -77.26 -37.11 53.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.856 -0.611 . . . . 73.03 110.647 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.72 -45.43 92.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.958 -0.564 . . . . 63.15 111.066 179.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -65.21 -36.73 85.08 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 116.285 -0.416 . . . . 74.23 110.888 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -68.18 -39.91 82.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.806 0.336 . . . . 73.41 110.126 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.416 ' O ' HG13 ' A' ' 82' ' ' ILE . 9.4 t-20 -62.38 -43.49 98.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.06 -0.518 . . . . 73.55 110.01 177.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.505 HD22 HD12 ' A' ' 82' ' ' ILE . 73.7 mt -66.04 -30.25 70.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.9 -0.591 . . . . 64.0 110.761 176.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.6 m -69.05 -39.37 79.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.542 -0.299 . . . . 75.22 110.894 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.6 p -69.84 -26.29 64.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.982 0.42 . . . . 75.21 110.51 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.505 HD12 HD22 ' A' ' 79' ' ' LEU . 79.3 mt -72.92 -38.07 55.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.634 -0.506 . . . . 64.43 109.634 172.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 87' ' ' SER . 46.5 tttm -59.97 -29.72 68.62 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 116.099 -0.5 . . . . 73.51 110.508 177.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.7 mm -54.2 -49.64 61.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 121.39 -0.124 . . . . 71.02 111.229 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.617 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -74.4 -33.15 62.94 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 120.606 -0.438 . . . . 75.32 110.358 -178.008 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.516 ' O ' HG13 ' A' ' 90' ' ' ILE . 89.0 t -67.4 -47.08 82.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.242 0.544 . . . . 73.31 110.434 177.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.474 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 0.4 OUTLIER -63.93 -36.8 85.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.351 -0.841 . . . . 74.12 110.997 178.803 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.89 -39.06 90.28 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.22 0.533 . . . . 72.12 110.117 174.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.559 ' HB2' ' HB3' ' A' ' 94' ' ' TYR . . . -66.33 -24.48 66.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.648 -0.706 . . . . 73.12 111.281 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 86' ' ' VAL . 81.7 mt -66.22 -45.87 88.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.955 0.407 . . . . 70.14 109.994 175.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt -68.6 -32.2 71.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.956 -0.565 . . . . 75.21 111.003 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.465 ' O ' ' HD3' ' A' ' 92' ' ' LYS . 12.3 tmtt? -66.24 -35.38 80.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.24 0.543 . . . . 71.2 109.718 176.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.26 11.86 28.52 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.843 -0.694 . . . . 70.12 111.696 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.559 ' HB3' ' HB2' ' A' ' 89' ' ' ALA . 13.4 t80 -85.98 -49.17 8.03 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.734 -0.469 . . . . 74.41 109.734 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.491 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 95.7 mmm -98.41 134.95 40.69 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.709 -0.678 . . . . 62.45 109.776 176.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -73.42 -45.32 55.21 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.245 0.545 . . . . 72.54 109.984 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -150.18 175.17 12.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.305 -0.861 . . . . 74.42 109.037 176.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 101' ' ' LYS . 1.5 p30 -83.86 156.66 64.25 Favored Pre-proline 0 N--CA 1.445 -0.683 0 N-CA-C 109.946 -0.391 . . . . 52.34 109.946 177.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.01 -6.82 20.07 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 122.618 2.212 . . . . 60.31 112.75 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.699 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 97.3 m-85 -85.62 -19.14 31.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.341 -0.39 . . . . 71.21 110.582 -178.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 12.9 mmtt -47.75 -51.65 21.44 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.66 -0.7 . . . . 72.14 112.229 172.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -110.55 9.2 23.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.257 0.551 . . . . 72.41 110.32 -175.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.699 ' HB2' ' HA ' ' A' ' 100' ' ' PHE . 85.9 t80 . . . . . 0 N--CA 1.464 0.241 0 CA-C-N 115.398 -0.819 . . . . 65.31 111.425 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 N--CA 1.446 -0.652 0 CA-C-O 120.891 0.377 . . . . 75.05 110.158 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -92.52 -6.59 49.4 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.004 -0.543 . . . . 65.53 111.083 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.915 ' HB3' ' HA ' ' A' ' 44' ' ' CYS . 13.6 p -144.55 150.34 37.35 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.456 -0.793 . . . . 70.42 110.668 -178.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.541 ' CE1' HG12 ' A' ' 82' ' ' ILE . 5.4 p90 -70.48 -26.7 63.74 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.776 -0.453 . . . . 64.3 109.776 177.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.41 ' HD1' ' CD ' ' A' ' 45' ' ' GLU . 20.7 m80 -58.57 -39.36 80.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.98 -0.555 . . . . 70.02 110.472 175.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.507 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 19.4 t70 -79.59 -39.78 30.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.825 0.345 . . . . 74.21 110.169 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -57.36 -52.55 64.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.699 -0.682 . . . . 72.34 110.982 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.656 HG12 ' HB ' ' A' ' 81' ' ' THR . 84.1 t -61.08 -41.69 90.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.394 . . . . 73.13 110.751 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.94 -38.55 82.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 65.01 111.204 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.9 t -74.4 -40.96 61.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.457 -0.338 . . . . 64.55 110.737 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.482 ' O ' ' HB ' ' A' ' 20' ' ' THR . 63.3 t80 -68.85 -37.76 79.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.114 0.483 . . . . 74.51 110.273 179.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.717 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 41.9 ttm -69.12 -33.46 73.51 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.546 -0.539 . . . . 74.24 109.546 176.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -64.99 -32.0 73.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.372 -0.831 . . . . 73.34 109.827 173.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.482 ' HB ' ' O ' ' A' ' 17' ' ' TYR . 88.9 m -59.48 -51.87 68.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.705 -0.68 . . . . 65.03 111.43 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.717 ' CE2' ' HA ' ' A' ' 18' ' ' MET . 47.7 p90 -87.65 -2.36 58.56 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 120.147 -0.621 . . . . 73.24 110.915 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.642 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 38.7 t -68.73 -10.64 57.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.061 -0.518 . . . . 60.35 110.773 174.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -65.59 -28.57 69.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.315 -0.402 . . . . 75.32 111.235 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.441 ' C ' ' HD2' ' A' ' 24' ' ' ARG . 4.5 ppt_? -113.03 3.93 16.42 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.794 0.664 . . . . 72.1 112.794 -172.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.642 ' HG ' ' HA ' ' A' ' 22' ' ' SER . 2.7 pp -110.37 159.39 17.49 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.3 0.571 . . . . 75.12 111.387 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -71.81 148.12 46.55 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-N 115.135 -0.939 . . . . 71.12 109.283 169.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.8 mm -63.74 -25.43 38.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 116.088 -0.505 . . . . 74.33 111.114 -174.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -53.81 -46.5 67.7 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 121.333 -0.46 . . . . 65.42 113.777 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.7 t -73.3 -40.28 64.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 117.207 0.503 . . . . 70.3 110.94 -178.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 82.7 t80 -60.48 -53.42 57.7 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.0 0.428 . . . . 74.21 110.951 175.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.517 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 50.7 ttt180 -63.51 -28.02 69.66 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.685 -0.689 . . . . 61.3 111.874 -177.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 8.2 t-160 -52.4 -32.73 40.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.63 -0.714 . . . . 73.1 111.706 -176.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -134.16 24.14 3.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.38 0.61 . . . . 75.21 110.18 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.517 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 14.7 tmtt? -77.11 -41.13 43.26 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.098 -0.955 . . . . 73.22 111.492 -173.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.1 m -85.64 -28.91 24.45 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.215 -0.448 . . . . 72.54 111.222 -174.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.7 t -53.19 -62.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.923 -0.58 . . . . 71.31 111.942 -174.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -61.36 -34.45 75.33 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.482 -0.781 . . . . 75.24 112.362 -173.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.507 ' NH2' ' HA ' ' A' ' 12' ' ' ASP . 23.4 mmt180 -77.88 -26.64 49.33 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.795 0.295 . . . . 71.14 111.795 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -70.14 -11.87 61.2 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.889 0.376 . . . . 73.14 111.522 -174.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.556 ' HD1' ' HG2' ' A' ' 42' ' ' GLU . 6.5 t80 -63.69 -22.92 67.15 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.166 0.508 . . . . 70.35 109.797 176.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.7 tptm 70.56 27.96 3.69 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.273 -0.876 . . . . 75.5 111.975 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.556 ' HG2' ' HD1' ' A' ' 40' ' ' PHE . 10.4 mm-40 -77.95 144.06 37.11 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.662 -0.496 . . . . 73.41 109.662 173.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -89.87 -73.64 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.04 0.448 . . . . 73.54 111.033 -175.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.915 ' HA ' ' HB3' ' A' ' 9' ' ' SER . 70.9 m -145.22 87.02 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.253 -0.431 . . . . 73.4 110.955 -178.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.547 ' OE2' ' HB2' ' A' ' 9' ' ' SER . 2.8 pm0 -87.05 112.87 22.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.486 0.66 . . . . 70.11 110.347 176.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -115.75 69.76 0.27 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.997 -0.62 . . . . 64.11 111.861 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.56 ' H ' HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -96.65 164.31 12.65 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 111.824 0.305 . . . . 61.34 111.824 -177.158 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -118.56 -164.33 1.02 Allowed 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 112.355 0.502 . . . . 72.52 112.355 -174.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.472 ' CD1' ' HE2' ' A' ' 94' ' ' TYR . 25.6 p90 -56.47 -43.53 79.68 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.576 0.954 . . . . 72.1 113.576 -168.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -79.62 -16.77 55.23 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.431 -0.508 . . . . 74.22 110.626 -175.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.433 ' CB ' ' HB2' ' A' ' 47' ' ' LEU . 5.6 mp0 -83.38 -39.11 21.11 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.472 -0.566 . . . . 73.04 109.472 176.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.454 HD22 HD22 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -83.55 83.46 7.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.435 0.636 . . . . 70.31 109.44 177.412 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -129.37 174.31 9.74 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.546 -0.752 . . . . 70.41 110.166 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.727 ' HG3' ' HA ' ' A' ' 103' ' ' PHE . 3.3 tm-20 -55.73 -40.66 72.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.969 0.414 . . . . 73.34 109.984 176.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -55.67 -39.41 70.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.541 -0.754 . . . . 64.25 111.315 177.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -68.58 -47.91 65.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.483 -0.326 . . . . 74.11 110.659 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.95 -43.15 86.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 64.44 110.38 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -65.92 -47.99 72.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.71 -0.677 . . . . 61.21 110.623 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.79 -44.47 93.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 64.31 111.134 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -61.99 -41.01 97.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.842 -0.617 . . . . 74.42 110.073 -179.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.4 tp -65.33 -48.49 72.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.537 -0.756 . . . . 60.31 111.112 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 76.2 mt -63.47 -46.2 95.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.936 -0.575 . . . . 73.33 111.04 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -57.94 -37.61 74.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.153 0.501 . . . . 75.43 110.647 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.697 ' HG2' ' HB3' ' A' ' 75' ' ' ALA . 14.7 tpp -58.63 -45.74 88.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.344 -0.844 . . . . 73.55 110.789 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.527 ' O ' ' HA ' ' A' ' 69' ' ' CYS . 12.7 tmtt? -79.59 -39.91 30.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.795 -0.638 . . . . 74.23 110.771 -177.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -73.33 -63.69 1.14 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.373 -0.376 . . . . 73.35 111.799 -175.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.5 m -79.98 -47.26 15.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.397 -0.365 . . . . 64.45 111.633 -174.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 64' ' ' MET . 88.7 mt -83.55 -18.36 38.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.583 -0.28 . . . . 73.04 111.127 -176.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 76.4 m 64.58 28.76 13.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.205 -0.452 . . . . 72.13 111.334 178.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.653 ' HB2' ' HG3' ' A' ' 64' ' ' MET . 0.9 OUTLIER -91.45 160.0 15.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.281 -0.418 . . . . 74.14 109.9 177.21 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.74 161.2 27.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.613 -0.267 . . . . 73.21 110.745 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -62.49 -36.48 82.64 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.443 -0.344 . . . . 71.41 110.087 178.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.576 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 14.8 m -56.85 -47.1 81.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.916 0.389 . . . . 71.1 110.483 177.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.7 m -60.71 -47.03 88.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.948 -0.569 . . . . 71.12 110.677 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.697 ' HB3' ' HG2' ' A' ' 64' ' ' MET . . . -61.04 -41.24 96.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.64 -0.709 . . . . 73.55 111.188 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -61.42 -34.0 74.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.96 -0.564 . . . . 63.51 111.544 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' A' ' 73' ' ' SER . 14.9 mmt180 -69.28 -41.88 76.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.378 0.608 . . . . 65.0 109.887 177.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -62.74 -46.72 86.76 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.513 -0.767 . . . . 74.13 110.267 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.462 HD23 HD11 ' A' ' 82' ' ' ILE . 94.5 mt -66.21 -31.36 72.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.797 -0.638 . . . . 74.52 111.98 -178.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.533 ' O ' ' HB2' ' A' ' 83' ' ' LYS . 95.7 p -65.44 -22.36 66.75 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.136 -0.225 . . . . 73.0 111.577 -177.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.656 ' HB ' HG12 ' A' ' 14' ' ' VAL . 54.5 p -75.37 -40.2 58.32 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.449 -0.575 . . . . 72.4 109.449 176.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.541 HG12 ' CE1' ' A' ' 10' ' ' PHE . 66.9 mt -60.51 -32.66 51.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.602 -0.726 . . . . 72.41 109.982 176.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' A' ' 80' ' ' SER . 31.0 mmtp -50.46 -44.64 55.69 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.696 -0.683 . . . . 73.21 111.364 175.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.3 mm -59.59 -44.45 93.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.54 -0.3 . . . . 64.54 110.747 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -65.67 -49.47 68.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.112 0.482 . . . . 74.33 110.253 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.523 ' O ' HG13 ' A' ' 90' ' ' ILE . 95.9 t -60.74 -51.67 70.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.403 -0.817 . . . . 63.11 110.598 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 2.8 m -59.1 -40.87 86.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.807 -0.633 . . . . 73.3 111.845 -179.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.12 -38.03 89.35 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.064 0.459 . . . . 65.14 110.449 176.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.621 ' HA ' ' HA3' ' A' ' 93' ' ' GLY . . . -70.98 -24.26 62.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.812 -0.631 . . . . 72.33 111.247 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 86' ' ' VAL . 81.3 mt -81.62 -36.91 14.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 120.961 0.41 . . . . 72.34 110.394 176.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -68.36 -45.32 73.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.068 -0.515 . . . . 74.32 110.122 -178.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -163.82 64.71 0.16 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.995 -0.548 . . . . 52.2 110.185 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.621 ' HA3' ' HA ' ' A' ' 89' ' ' ALA . . . -136.16 -83.84 0.16 Allowed Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.248 -0.977 . . . . 44.43 112.928 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.472 ' HE2' ' CD1' ' A' ' 49' ' ' PHE . 32.2 t80 -161.4 -29.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.874 0.369 . . . . 73.1 110.88 -172.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.445 ' SD ' ' HA ' ' A' ' 49' ' ' PHE . 95.6 mmm -71.78 124.57 25.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 75.22 110.639 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -84.39 -42.18 15.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.492 -0.322 . . . . 74.5 111.552 -177.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -121.16 167.52 12.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.317 . . . . 54.22 110.782 -174.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.443 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 11.0 m-20 -87.33 142.2 33.16 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.856 -0.611 . . . . 72.42 110.231 178.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 5.6 Cg_exo -82.65 -35.57 0.3 Allowed 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.839 2.359 . . . . 71.13 112.47 176.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.447 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 39.0 p90 -80.45 -29.24 37.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.257 -0.429 . . . . 72.41 111.608 -174.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -47.05 -47.67 22.54 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 122.855 0.462 . . . . 74.32 112.23 175.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -109.41 27.08 9.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.854 -0.612 . . . . 62.04 111.102 -175.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.727 ' HA ' ' HG3' ' A' ' 54' ' ' GLU . 49.0 t80 . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 115.766 -0.652 . . . . 74.32 109.55 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.432 ' HB3' ' OD1' ' A' ' 12' ' ' ASP . 0.3 OUTLIER . . . . . 0 CA--C 1.516 -0.328 0 CA-C-O 121.477 0.656 . . . . 75.42 111.703 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -102.28 -9.37 20.45 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.069 -0.969 . . . . 73.23 109.791 176.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.8 m -98.3 139.66 33.73 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 114.541 -1.209 . . . . 74.2 110.347 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.84 ' HE1' ' HB2' ' A' ' 44' ' ' CYS . 32.9 p90 -59.69 -42.41 92.91 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 120.503 0.192 . . . . 71.54 111.231 -177.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.651 ' HB2' ' HG3' ' A' ' 38' ' ' ARG . 8.7 p-80 -65.91 -28.28 68.82 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.995 0.426 . . . . 71.41 110.653 -178.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.432 ' OD1' ' HB3' ' A' ' 7' ' ' PHE . 5.0 t70 -80.85 -45.43 16.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.909 -0.587 . . . . 72.52 109.663 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -56.58 -51.43 68.63 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.061 -0.972 . . . . 74.41 110.213 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.54 ' O ' ' HB2' ' A' ' 18' ' ' MET . 88.9 t -57.16 -49.53 79.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.811 -0.631 . . . . 73.31 110.718 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.6 -30.86 67.56 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.84 0.311 . . . . 62.54 111.84 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.4 t -84.21 -51.55 6.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.808 0.337 . . . . 72.44 110.809 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -70.62 -30.59 67.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.334 -0.394 . . . . 70.22 111.242 -174.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.541 ' HA ' ' HE2' ' A' ' 18' ' ' MET . 0.0 OUTLIER -63.2 -29.54 70.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.35 -0.386 . . . . 71.11 110.213 -178.607 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -60.11 -46.79 88.45 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.001 0.429 . . . . 74.12 110.401 176.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -62.41 -35.89 80.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.727 -0.67 . . . . 73.15 110.566 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -77.05 -29.37 55.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.815 -0.63 . . . . 75.14 110.362 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.583 ' HA ' HD12 ' A' ' 25' ' ' LEU . 43.3 t -67.82 -10.58 54.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.596 -0.729 . . . . 61.12 111.187 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.454 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 5.4 mmp_? -77.94 -10.77 59.75 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.131 0.491 . . . . 74.02 110.833 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -104.63 -23.01 13.15 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.775 -0.648 . . . . 74.32 112.062 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 22' ' ' SER . 1.8 pp -113.89 171.58 7.5 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.075 0.464 . . . . 64.44 111.763 -176.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -75.4 154.3 37.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.567 -0.742 . . . . 73.34 110.194 176.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.1 mm -61.5 -36.01 70.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.071 -0.513 . . . . 74.32 110.478 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -63.17 -31.31 80.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.099 -0.572 . . . . 74.11 112.159 178.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.0 m -73.44 -49.35 27.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.069 0.462 . . . . 71.14 109.945 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.455 ' HB2' HD12 ' A' ' 25' ' ' LEU . 67.9 t80 -56.56 -51.75 67.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.353 -0.84 . . . . 72.51 110.815 177.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -65.49 -30.3 71.05 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.363 -0.835 . . . . 70.42 112.012 -176.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.426 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 8.4 t-80 -62.7 -34.99 78.28 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.08 -0.248 . . . . 74.3 110.683 -175.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.531 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 53.9 p-80 -151.82 77.58 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.628 0.728 . . . . 71.25 110.997 174.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -95.31 -42.82 8.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.221 0.534 . . . . 71.02 111.132 177.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.818 ' HB3' ' HB3' ' A' ' 38' ' ' ARG . 14.8 m -77.06 -54.41 6.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.748 -0.66 . . . . 73.41 111.029 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.531 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 61.8 m 53.95 -86.82 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.532 0.733 . . . . 73.3 112.128 -178.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -71.18 -36.09 71.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.05 0.452 . . . . 71.23 109.815 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.818 ' HB3' ' HB3' ' A' ' 35' ' ' SER . 32.7 ttt-85 -63.65 -33.73 76.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.453 -0.794 . . . . 64.11 109.85 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.48 -44.01 97.85 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 114.737 -1.12 . . . . 75.32 109.875 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -75.14 -44.21 48.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.705 -0.68 . . . . 75.52 110.426 177.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -153.98 110.81 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.024 0.916 . . . . 64.02 110.965 -177.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -91.17 21.95 4.06 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.88 -1.055 . . . . 73.41 110.767 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -96.72 -165.08 1.22 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.646 -0.706 . . . . 71.55 109.742 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.84 ' HB2' ' HE1' ' A' ' 10' ' ' PHE . 83.0 m 68.63 98.57 0.06 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.615 0.721 . . . . 75.42 111.568 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -114.71 117.17 30.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.036 -0.984 . . . . 74.32 109.502 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.8 92.87 1.93 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.767 -0.73 . . . . 55.2 112.67 -179.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.1 tt -126.52 118.79 25.63 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.371 -0.603 . . . . 71.24 109.371 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -96.76 -178.12 4.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.431 0.634 . . . . 63.43 111.758 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -67.02 -31.54 72.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.026 -0.988 . . . . 72.14 110.975 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -63.42 -32.11 73.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.503 -0.772 . . . . 71.43 110.603 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -80.34 -46.47 16.05 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.738 -0.665 . . . . 73.2 110.538 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -72.24 89.74 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.257 0.551 . . . . 73.42 109.616 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.401 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.7 p -134.74 166.54 22.72 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.862 -0.608 . . . . 54.45 111.09 -176.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -53.74 -38.83 64.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.928 -0.578 . . . . 72.35 110.715 176.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -59.33 -41.09 88.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.659 -0.701 . . . . 75.44 111.297 177.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -63.04 -48.01 80.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.092 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 53' ' ' THR . 4.5 mm? -58.45 -42.76 88.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.716 -0.674 . . . . 72.33 110.72 178.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.401 ' O ' HG13 ' A' ' 62' ' ' ILE . 31.4 ttt180 -66.31 -46.41 77.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.433 -0.349 . . . . 75.15 111.407 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.33 -40.38 96.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.853 0.358 . . . . 72.23 110.827 -176.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -68.54 -32.61 72.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.21 -0.45 . . . . 72.15 110.163 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.0 tp -65.33 -48.35 73.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.54 . . . . 74.33 110.559 175.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 58' ' ' ARG . 67.6 mt -60.18 -46.46 94.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.812 -0.631 . . . . 73.5 110.259 176.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -57.17 -40.44 77.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.349 0.595 . . . . 73.41 110.168 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.679 ' HG2' ' HB2' ' A' ' 75' ' ' ALA . 19.0 tpp -60.04 -42.62 94.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.4 -0.818 . . . . 75.1 110.963 178.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 69' ' ' CYS . 12.6 tmtt? -80.26 -38.92 29.97 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.82 -0.627 . . . . 74.54 110.698 -175.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -77.9 -65.38 0.98 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.231 -0.44 . . . . 74.34 111.685 -176.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.6 m -79.59 -45.1 19.8 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.014 -0.539 . . . . 72.13 111.653 -170.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 92.9 mt -85.62 -21.96 28.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.243 -0.435 . . . . 74.23 110.755 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 50.8 m 59.81 77.79 0.3 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.739 -0.664 . . . . 75.13 111.537 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -142.12 157.4 44.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 73.43 109.95 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.46 168.2 19.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.353 -0.385 . . . . 72.51 110.459 177.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -62.11 -30.75 71.23 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.556 -0.293 . . . . 73.44 110.436 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.636 ' O ' ' HD3' ' A' ' 77' ' ' ARG . 8.4 m -57.03 -55.07 39.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.329 . . . . 73.53 110.465 178.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.2 m -62.96 -40.76 98.69 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.121 -0.49 . . . . 55.35 110.954 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.679 ' HB2' ' HG2' ' A' ' 64' ' ' MET . . . -65.93 -42.43 90.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.684 -0.689 . . . . 72.33 111.763 -177.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.435 ' HA ' ' OE1' ' A' ' 76' ' ' GLN . 12.8 mm-40 -63.16 -31.42 72.56 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 116.416 -0.356 . . . . 64.53 111.528 -177.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.636 ' HD3' ' O ' ' A' ' 73' ' ' SER . 11.6 mpt_? -60.16 -43.44 95.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.914 0.387 . . . . 74.21 110.367 174.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -67.29 -51.01 57.95 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.032 -0.531 . . . . 73.11 110.452 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.45 -33.4 74.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.52 -0.764 . . . . 73.35 111.256 -178.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.614 ' O ' HG13 ' A' ' 84' ' ' ILE . 16.1 t -66.5 -33.64 76.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.537 -0.301 . . . . 73.42 110.414 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.1 m -62.79 -41.83 99.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.365 0.602 . . . . 73.53 109.695 176.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.531 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 91.2 mt -65.27 -43.29 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.603 -0.726 . . . . 71.42 110.019 173.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.535 ' O ' ' HB2' ' A' ' 87' ' ' SER . 10.8 tmtt? -57.24 -33.92 68.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.097 -0.956 . . . . 72.43 110.939 -178.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.614 HG13 ' O ' ' A' ' 80' ' ' SER . 84.5 mt -61.02 -54.83 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 111.564 0.209 . . . . 75.41 111.564 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.531 ' CE2' ' HA ' ' A' ' 82' ' ' ILE . 14.4 p90 -73.96 -28.97 61.75 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 120.369 -0.532 . . . . 74.1 110.74 -173.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.538 ' O ' HG13 ' A' ' 90' ' ' ILE . 98.0 t -72.81 -40.7 61.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.27 -0.423 . . . . 54.2 110.299 176.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.535 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 0.6 OUTLIER -58.46 -36.55 73.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.051 -0.522 . . . . 73.31 111.828 -178.548 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.46 -44.41 76.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.061 0.458 . . . . 75.23 110.044 175.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.559 ' HA ' ' HA3' ' A' ' 93' ' ' GLY . . . -72.63 -22.96 60.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.408 -0.815 . . . . 61.5 111.338 178.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.762 HD12 ' HA ' ' A' ' 98' ' ' ASP . 81.0 mt -78.45 -45.2 26.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.152 0.501 . . . . 71.32 111.278 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -78.56 -41.06 33.03 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.129 -0.487 . . . . 61.3 110.417 -174.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -149.82 71.13 1.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.46 0.648 . . . . 64.11 110.435 175.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.559 ' HA3' ' HA ' ' A' ' 89' ' ' ALA . . . -151.0 -90.37 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.361 -0.836 . . . . 64.13 112.795 175.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -143.88 -33.97 0.4 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.055 0.455 . . . . 75.24 110.854 -174.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.651 ' HB2' ' HA ' ' A' ' 90' ' ' ILE . 96.9 mmm -68.37 127.93 34.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.92 -0.582 . . . . 75.3 110.505 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.24 -48.02 45.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.087 -0.506 . . . . 64.51 111.374 -175.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -137.36 161.38 36.43 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.652 -0.499 . . . . 74.42 109.652 -175.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.762 ' HA ' HD12 ' A' ' 90' ' ' ILE . 4.0 m-20 -73.94 140.98 77.85 Favored Pre-proline 0 C--N 1.322 -0.605 0 O-C-N 123.481 0.488 . . . . 60.4 109.927 178.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 3.7 Cg_exo -78.79 -22.67 8.77 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.91 2.407 . . . . 74.02 113.552 -176.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.418 ' CD1' ' HB3' ' A' ' 98' ' ' ASP . 7.6 p90 -78.91 -9.07 59.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.114 0.483 . . . . 64.4 111.077 -175.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.8 -41.1 56.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.006 -0.997 . . . . 75.43 112.201 -177.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -106.81 -38.94 5.94 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.733 -0.387 . . . . 72.44 110.543 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 9.9 t80 . . . . . 0 N--CA 1.471 0.579 0 CA-C-N 114.962 -1.017 . . . . 74.25 112.41 174.498 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.503 ' CE1' ' HA ' ' A' ' 13' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.451 -0.419 0 CA-C-O 121.1 0.476 . . . . 71.43 110.443 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.758 ' HE3' ' HB3' ' A' ' 45' ' ' GLU . 60.3 pttt -99.96 -10.69 21.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.545 -0.752 . . . . 70.11 110.983 -177.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.81 ' HB3' ' HA ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -83.77 142.87 30.37 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.934 -1.03 . . . . 75.45 111.579 -175.435 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.477 ' O ' HG22 ' A' ' 14' ' ' VAL . 31.9 m-85 -66.7 -49.78 64.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.074 -0.512 . . . . 70.43 112.073 -177.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -68.18 -22.39 64.83 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.214 0.53 . . . . 73.44 110.182 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.8 -44.38 20.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.207 -0.906 . . . . 74.13 110.697 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.503 ' HA ' ' CE1' ' A' ' 7' ' ' PHE . 37.2 t80 -65.54 -44.86 85.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.865 -0.607 . . . . 75.44 110.609 179.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 10' ' ' PHE . 71.0 t -57.82 -37.03 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 116.21 -0.45 . . . . 75.24 111.283 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.49 -35.11 76.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.96 0.409 . . . . 63.1 111.187 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 t -83.43 -36.14 24.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.235 -0.439 . . . . 74.21 110.234 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -63.54 -41.74 98.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.444 -0.343 . . . . 73.14 110.488 179.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.677 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 41.1 ttm -61.7 -46.82 88.06 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.599 -0.519 . . . . 73.22 109.599 176.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -54.36 -36.92 64.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.342 -0.845 . . . . 73.22 111.028 177.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 50.7 m -55.6 -49.67 72.16 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.845 -0.616 . . . . 74.14 111.844 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.677 ' CE2' ' HA ' ' A' ' 18' ' ' MET . 29.2 p90 -88.65 -13.26 40.24 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 120.423 -0.511 . . . . 74.42 110.946 -179.31 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.9 m -68.72 -8.86 46.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.798 0.332 . . . . 72.12 111.144 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -61.87 -22.17 65.31 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.43 -0.35 . . . . 74.34 111.187 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.675 ' HG2' ' O ' ' A' ' 21' ' ' TYR . 16.8 ptm180 -95.72 4.86 52.6 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.18 0.514 . . . . 73.51 110.431 177.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.431 HD11 ' HG3' ' A' ' 24' ' ' ARG . 10.3 mp -111.8 172.07 7.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.706 -0.679 . . . . 75.44 109.934 178.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -80.65 156.44 26.36 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.696 -0.853 . . . . 75.51 108.696 167.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.417 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 47.8 mt -66.5 -31.42 53.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.808 -0.441 . . . . 74.24 109.808 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.45 ' HA2' ' HG2' ' A' ' 31' ' ' ARG . . . -61.16 -46.85 93.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.13 -0.557 . . . . 64.13 112.319 176.192 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.4 m -63.72 -35.97 82.33 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.483 0.659 . . . . 74.42 110.022 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -68.21 -53.81 22.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.232 -0.895 . . . . 74.44 111.374 177.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.874 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 9.5 ptm85 -63.71 -19.91 65.31 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 111.966 0.358 . . . . 74.23 111.966 -174.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -69.68 -22.06 63.46 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.971 0.415 . . . . 72.44 111.045 176.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -98.35 -26.3 14.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.147 0.975 . . . . 70.11 108.916 172.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.874 ' HB3' ' HA ' ' A' ' 31' ' ' ARG . 1.1 tmtp? -80.58 -21.1 41.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.042 -1.435 . . . . 71.13 110.989 -173.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 p -64.17 -38.66 91.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.329 -0.396 . . . . 71.01 110.835 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.2 m -61.74 -48.89 78.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.975 -0.557 . . . . 64.51 110.099 175.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 62.1 mtt -59.55 -40.87 88.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.203 -0.908 . . . . 65.31 111.303 177.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.53 ' HG2' ' HD3' ' A' ' 34' ' ' LYS . 3.9 mmt180 -63.46 -41.5 98.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.551 -0.295 . . . . 74.32 111.434 178.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -67.88 -46.91 70.33 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.169 -0.469 . . . . 73.24 111.25 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -68.09 -26.35 65.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.4 110.117 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt 75.02 125.86 0.04 OUTLIER 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.121 -0.945 . . . . 72.1 112.532 173.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -71.34 141.33 50.43 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.078 -0.965 . . . . 75.33 109.144 170.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -128.48 -84.05 0.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.106 0.479 . . . . 74.25 111.096 -174.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.475 ' C ' ' HG ' ' A' ' 9' ' ' SER . 8.7 p -178.55 -34.45 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.159 -0.928 . . . . 75.13 110.238 -174.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.81 ' HA ' ' HB3' ' A' ' 9' ' ' SER . 11.2 pt-20 -159.43 -171.06 3.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.808 0.337 . . . . 65.32 110.938 177.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.67 -116.99 0.71 Allowed Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.306 -0.717 . . . . 61.25 111.306 -178.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.438 HD23 ' C ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -98.88 159.5 14.92 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.873 0.368 . . . . 71.21 110.131 177.447 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -120.22 -176.76 3.28 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.923 -0.58 . . . . 75.12 111.144 -174.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -60.6 -30.2 69.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.325 -0.852 . . . . 60.41 111.051 -178.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -58.83 -28.59 66.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.038 -0.983 . . . . 73.24 111.096 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -104.35 -11.03 17.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.561 -0.29 . . . . 74.03 111.12 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.97 86.74 1.01 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.343 -0.614 . . . . 63.24 109.343 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.5 p -141.73 -178.06 5.48 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.713 -0.676 . . . . 61.35 111.082 -173.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.694 ' HG3' ' HA ' ' A' ' 103' ' ' PHE . 1.0 OUTLIER -50.17 -49.26 52.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.917 -0.583 . . . . 72.11 111.112 177.619 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.31 -33.67 75.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.788 -0.642 . . . . 75.12 111.27 -176.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.428 ' CE1' ' HG ' ' A' ' 47' ' ' LEU . 77.4 t80 -67.65 -51.6 48.08 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.181 -0.303 . . . . 73.52 110.181 178.22 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.29 -43.42 92.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.043 -0.526 . . . . 73.1 110.452 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.61 -46.07 91.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.689 -0.687 . . . . 75.54 111.137 178.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -69.3 -41.85 76.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 71.3 111.375 -178.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -69.85 -31.16 68.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.23 -0.441 . . . . 64.43 110.27 -177.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.0 tp -58.13 -52.54 65.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 72.24 109.802 173.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.0 mt -60.49 -49.15 85.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.42 -0.809 . . . . 75.32 110.965 179.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -56.25 -43.0 78.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.138 0.494 . . . . 72.32 110.884 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.578 ' HE3' ' HB3' ' A' ' 75' ' ' ALA . 8.8 ttp -71.91 -42.07 67.17 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.04 0.448 . . . . 74.31 111.515 -178.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 2.9 tmtp? -69.48 -42.74 74.43 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.079 -0.51 . . . . 63.03 110.586 -178.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -90.84 -64.48 1.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.02 0.378 . . . . 73.24 112.02 -175.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.8 m -70.2 -41.94 73.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.933 0.396 . . . . 72.22 111.613 -173.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 64' ' ' MET . 79.2 mt -83.95 -11.41 56.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.43 -0.35 . . . . 74.31 110.072 178.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 73.4 m 58.11 38.85 26.51 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.717 -0.674 . . . . 71.35 111.761 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.466 ' O ' ' HA ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -100.36 160.2 14.52 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.798 -0.445 . . . . 74.25 109.798 175.442 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.28 161.58 21.41 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.12 -0.326 . . . . 70.23 110.12 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.12 -34.65 78.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.143 0.497 . . . . 73.42 110.063 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m -59.89 -34.62 73.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.39 -0.823 . . . . 73.35 110.091 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -81.88 -39.73 23.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.624 -0.716 . . . . 71.34 110.322 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.578 ' HB3' ' HE3' ' A' ' 64' ' ' MET . . . -60.26 -42.4 95.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.439 -0.801 . . . . 63.45 111.606 -178.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -56.18 -37.31 69.42 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.293 -0.412 . . . . 75.15 111.446 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -63.57 -46.2 86.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.69 0.281 . . . . 72.44 110.816 177.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -71.54 -37.94 71.08 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.231 -0.441 . . . . 74.04 111.078 -176.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.55 -33.83 76.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.007 0.432 . . . . 72.03 110.666 177.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.627 ' O ' HG12 ' A' ' 84' ' ' ILE . 58.1 m -70.78 -19.69 62.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.973 -0.558 . . . . 63.12 112.274 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.652 HG22 ' HE2' ' A' ' 18' ' ' MET . 71.4 p -62.71 -56.16 20.21 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.939 0.4 . . . . 74.31 110.727 -177.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 60.9 mt -64.81 -34.74 72.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.898 -0.592 . . . . 74.31 110.057 177.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 87' ' ' SER . 14.7 tmtt? -59.81 -34.52 73.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.39 -0.823 . . . . 63.44 111.127 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.627 HG12 ' O ' ' A' ' 80' ' ' SER . 46.0 mm -59.81 -44.94 95.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.739 0.304 . . . . 71.41 110.664 177.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -72.7 -42.21 64.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.7 0.286 . . . . 74.22 110.76 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.523 ' O ' HG13 ' A' ' 90' ' ' ILE . 92.2 t -62.95 -43.35 98.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.954 0.407 . . . . 73.44 110.317 178.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.447 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 2.7 m -63.12 -39.15 93.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.756 -0.657 . . . . 53.32 111.282 177.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.84 -32.07 72.34 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.198 0.523 . . . . 73.23 110.561 175.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.43 -22.34 64.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.422 -0.808 . . . . 63.55 111.321 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.638 ' HA ' ' O ' ' A' ' 95' ' ' MET . 67.5 mt -72.69 -36.94 54.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.283 0.563 . . . . 71.32 110.558 178.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -77.71 -43.15 31.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.667 -0.697 . . . . 73.42 111.013 -175.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -146.68 65.4 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.226 0.536 . . . . 74.21 110.172 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -154.83 -102.23 0.2 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.579 -0.82 . . . . 36.38 113.131 176.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -143.51 -43.43 0.28 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.734 0.302 . . . . 75.04 111.283 -172.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.638 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 98.2 mmm -63.29 110.12 1.79 Allowed 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.847 -0.615 . . . . 72.25 110.456 -175.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -93.14 -39.78 10.85 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.88 -0.6 . . . . 74.31 109.558 -177.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -114.94 111.42 21.13 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.484 -0.78 . . . . 64.12 109.889 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.596 ' HB3' ' CD1' ' A' ' 90' ' ' ILE . 2.4 p-10 -71.46 154.71 93.32 Favored Pre-proline 0 N--CA 1.447 -0.6 0 CA-C-N 115.296 -0.866 . . . . 54.03 111.517 -174.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 16.2 Cg_exo -68.44 -15.71 42.23 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.995 2.463 . . . . 64.23 113.465 -176.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.866 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 50.2 p90 -94.59 -16.71 22.99 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.522 -0.471 . . . . 74.2 111.591 -178.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -72.14 -20.56 61.59 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.038 -0.528 . . . . 73.14 110.683 171.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -121.94 17.94 10.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.613 0.72 . . . . 73.02 109.416 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.866 ' HB2' ' HA ' ' A' ' 100' ' ' PHE . 43.2 t80 . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.1 -0.955 . . . . 72.32 110.474 -174.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.91 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 38.2 m-85 . . . . . 0 N--CA 1.44 -0.929 0 CA-C-O 121.16 0.505 . . . . 73.42 110.395 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.433 ' HG3' ' OD2' ' A' ' 12' ' ' ASP . 36.2 mttp -61.69 -35.51 78.2 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.016 -0.993 . . . . 64.32 111.953 -174.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.2 m -165.73 -175.25 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.693 -0.484 . . . . 74.21 109.693 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.519 ' O ' HG23 ' A' ' 14' ' ' VAL . 30.0 p90 -52.85 -40.99 63.84 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 123.183 0.302 . . . . 74.15 111.44 178.198 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -62.18 -27.31 68.88 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.051 0.453 . . . . 75.22 110.89 -177.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.91 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -79.72 -40.61 28.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.72 -0.673 . . . . 63.32 109.908 -175.189 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -65.33 -41.87 93.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.573 -0.74 . . . . 74.31 109.377 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 10' ' ' PHE . 79.0 t -56.56 -51.71 62.13 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 CA-C-N 115.544 -0.753 . . . . 75.42 110.796 178.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.06 -34.13 71.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.447 -0.342 . . . . 73.32 111.52 -176.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.3 t -68.56 -46.09 70.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.342 -0.39 . . . . 72.25 110.935 -178.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -78.16 -30.5 49.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.041 0.448 . . . . 71.13 110.617 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.448 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 33.4 tpp -60.7 -29.34 69.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.949 -0.569 . . . . 75.24 110.742 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -58.1 -36.61 73.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 65.13 110.701 175.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 m -76.41 -27.89 56.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.488 0.661 . . . . 71.11 110.605 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -86.98 -11.16 51.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.817 -0.629 . . . . 75.12 110.859 -176.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.42 ' HA ' ' HB2' ' A' ' 25' ' ' LEU . 87.4 p -68.56 -10.09 53.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 72.12 111.929 -176.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -57.28 -26.68 61.21 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 111.808 0.299 . . . . 73.2 111.808 -176.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -120.93 29.47 7.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.957 0.408 . . . . 73.02 110.866 175.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.467 HD21 ' HA ' ' A' ' 30' ' ' PHE . 2.6 mp -129.71 124.32 33.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.176 -0.465 . . . . 73.43 110.97 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -77.07 160.13 29.31 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.83 -0.433 . . . . 63.31 109.83 173.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.4 mm -55.38 -41.34 61.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 123.242 0.339 . . . . 65.31 111.737 -176.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.488 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -55.07 -54.88 31.04 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 116.125 -0.489 . . . . 71.34 112.881 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.1 t -76.68 -29.25 56.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.697 0.284 . . . . 72.54 110.988 -178.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.467 ' HA ' HD21 ' A' ' 25' ' ' LEU . 91.7 t80 -59.44 -54.44 46.61 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.394 -0.366 . . . . 75.14 110.587 179.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.606 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 27.5 ptt180 -76.7 -20.39 56.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.323 . . . . 72.54 110.776 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.488 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 8.2 t60 -57.31 -33.76 68.04 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 116.089 -0.505 . . . . 73.52 110.979 -177.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -118.09 21.22 12.9 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.307 0.575 . . . . 74.42 110.091 177.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.606 ' HB3' ' HA ' ' A' ' 31' ' ' ARG . 76.4 tttt -95.13 -43.75 7.96 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.425 -0.807 . . . . 61.43 110.217 179.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.9 p -76.27 -26.93 56.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.47 -0.786 . . . . 73.32 112.085 -176.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.8 m -53.21 -69.84 0.11 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.442 0.534 . . . . 73.44 112.442 -174.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -66.3 -25.47 66.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 71.33 111.415 -177.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -67.73 -51.28 51.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.245 0.545 . . . . 73.22 110.308 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.448 ' HB3' ' HE2' ' A' ' 39' ' ' LYS . 2.9 tmmm? -66.3 -27.79 68.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.124 -0.944 . . . . 73.34 110.765 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -77.75 -2.19 35.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.985 -0.552 . . . . 73.22 111.787 -175.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -74.77 76.95 2.08 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.443 0.639 . . . . 64.43 110.36 177.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -63.61 -43.49 96.73 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.046 -0.979 . . . . 73.12 110.122 173.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -137.5 172.36 13.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.474 -0.784 . . . . 73.54 109.281 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.0 m -84.67 129.36 34.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.833 0.349 . . . . 74.51 111.045 -177.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -149.88 115.78 5.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.757 -0.656 . . . . 75.35 109.274 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -81.16 -50.53 5.09 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.755 -0.736 . . . . 75.55 111.867 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.494 ' HG ' ' HB2' ' A' ' 51' ' ' GLU . 9.7 tt 67.91 109.29 0.05 OUTLIER 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.172 0.589 . . . . 74.44 110.482 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -82.19 -179.72 7.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.165 -0.47 . . . . 75.22 110.696 -178.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -62.62 -36.65 83.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.901 -0.591 . . . . 73.35 112.194 -173.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -79.88 -9.48 59.68 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.691 -0.404 . . . . 73.15 111.684 -174.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.494 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . 2.3 mp0 -88.02 -20.25 26.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.968 0.413 . . . . 75.02 110.294 175.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.16 86.76 7.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.399 0.618 . . . . 65.12 109.434 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.471 ' O ' HD23 ' A' ' 57' ' ' LEU . 39.8 p -126.84 178.48 5.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.827 -0.624 . . . . 70.02 110.83 -177.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.545 ' OE2' ' HD3' ' A' ' 58' ' ' ARG . 2.4 tm-20 -58.95 -31.8 69.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.806 -0.634 . . . . 73.0 110.193 176.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -62.34 -48.69 78.7 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 115.717 -0.674 . . . . 73.22 110.704 177.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -61.07 -44.04 97.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.55 -0.296 . . . . 72.33 110.507 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.542 HD12 HD21 ' A' ' 79' ' ' LEU . 3.9 mm? -58.55 -50.5 73.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.138 -0.483 . . . . 74.3 111.322 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.545 ' HD3' ' OE2' ' A' ' 54' ' ' GLU . 13.9 ptt180 -73.57 -26.43 60.82 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.609 -0.436 . . . . 73.54 110.995 -176.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -74.64 -44.19 51.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.722 0.296 . . . . 73.44 111.037 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -64.18 -31.76 73.08 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.698 -0.482 . . . . 74.04 109.698 -178.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.3 tp -57.39 -53.28 59.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.477 -0.783 . . . . 75.34 110.392 173.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 64.5 mt -67.24 -40.97 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.833 -0.621 . . . . 74.31 110.431 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -54.71 -47.49 73.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.628 -0.715 . . . . 75.52 110.459 177.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.53 ' HE1' ' HA ' ' A' ' 75' ' ' ALA . 5.2 ttp -71.56 -38.45 70.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.892 -0.595 . . . . 72.3 111.158 179.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.52 ' HE2' ' HA ' ' A' ' 71' ' ' ALA . 6.1 tmtt? -63.52 -40.55 97.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.996 -0.547 . . . . 65.12 110.735 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -84.36 -62.9 1.44 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.217 -0.447 . . . . 73.21 111.751 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.5 m -70.29 -38.26 74.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.207 -0.451 . . . . 71.0 112.017 -174.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.459 ' HB3' HD21 ' A' ' 70' ' ' ASN . 66.1 mt -99.32 -8.02 25.49 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 121.09 -0.244 . . . . 75.2 111.557 -176.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 61.4 m 65.83 9.64 6.21 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.435 0.531 . . . . 73.41 112.435 176.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.488 ' O ' ' HA ' ' A' ' 65' ' ' LYS . 39.2 m-80 -83.4 149.52 26.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.911 0.386 . . . . 64.51 111.114 -177.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.52 ' HA ' ' HE2' ' A' ' 65' ' ' LYS . . . -86.58 174.11 9.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.953 -0.567 . . . . 74.53 111.044 -177.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -56.55 -36.92 69.84 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.205 -0.452 . . . . 65.01 111.18 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.9 p -54.72 -51.19 66.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.054 -0.521 . . . . 63.13 111.247 -178.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.8 m -69.47 -46.11 67.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.985 -0.552 . . . . 72.41 110.32 177.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.53 ' HA ' ' HE1' ' A' ' 64' ' ' MET . . . -57.21 -40.66 77.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.81 -0.632 . . . . 74.13 112.302 -176.203 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -62.36 -33.27 74.41 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 120.724 0.297 . . . . 73.32 111.289 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 77' ' ' ARG . 58.7 mtt180 -69.3 -38.96 78.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.135 0.493 . . . . 71.22 110.539 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.511 ' HB2' ' HE3' ' A' ' 64' ' ' MET . 18.3 m120 -67.48 -46.76 72.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.768 -0.651 . . . . 72.42 110.369 176.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 57' ' ' LEU . 96.0 mt -63.9 -34.72 78.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.964 -0.562 . . . . 72.43 110.571 178.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.65 ' O ' HG12 ' A' ' 84' ' ' ILE . 23.2 t -62.22 -37.35 85.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 63.15 110.139 176.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.5 m -68.23 -36.87 80.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.182 -0.463 . . . . 64.42 110.347 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 89.2 mt -65.61 -49.69 76.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.879 -0.6 . . . . 73.02 110.688 176.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.603 ' HG3' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -60.27 -27.98 67.7 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-O 119.425 -0.322 . . . . 75.32 111.394 -179.528 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.65 HG12 ' O ' ' A' ' 80' ' ' SER . 37.3 mm -57.1 -54.95 23.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 117.841 0.291 . . . . 72.4 111.255 174.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -73.69 -33.19 64.3 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 120.662 -0.415 . . . . 63.41 110.485 -175.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.52 ' O ' HG13 ' A' ' 90' ' ' ILE . 92.7 t -65.53 -41.71 91.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.17 0.51 . . . . 64.42 110.033 175.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.451 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 3.1 m -63.08 -29.14 70.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.503 -0.771 . . . . 54.53 111.374 178.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.2 -34.41 77.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.195 0.521 . . . . 74.15 110.164 174.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.62 -23.43 49.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.56 -0.745 . . . . 72.23 110.669 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 86' ' ' VAL . 51.1 mt -81.78 -30.94 10.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.218 0.532 . . . . 72.21 110.122 175.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -64.84 -45.88 84.26 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.67 -0.696 . . . . 73.22 110.661 -177.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -167.72 68.98 0.09 Allowed 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.469 0.652 . . . . 70.53 109.74 172.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -130.76 -85.2 0.34 Allowed Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.361 -0.836 . . . . 74.22 111.627 176.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -160.08 -19.26 0.06 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.047 -0.261 . . . . 75.13 111.335 -177.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 97.4 mmm -56.8 135.06 55.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.065 0.46 . . . . 74.34 111.259 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -86.71 -46.3 10.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.75 -0.659 . . . . 74.11 110.66 -178.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -135.17 164.95 26.52 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.657 -0.702 . . . . 75.11 109.433 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.628 ' OD2' ' HB2' ' A' ' 101' ' ' LYS . 5.1 p-10 -96.1 144.48 27.9 Favored Pre-proline 0 C--N 1.318 -0.794 0 N-CA-C 109.923 -0.399 . . . . 71.33 109.923 177.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -77.08 -18.42 14.46 Favored 'Trans proline' 0 CA--C 1.529 0.275 0 C-N-CA 122.54 2.16 . . . . 70.32 113.199 -176.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -85.59 -13.88 47.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.221 0.534 . . . . 74.32 111.443 -176.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.628 ' HB2' ' OD2' ' A' ' 98' ' ' ASP . 1.5 tmmt? -72.13 -33.94 68.18 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.599 -0.728 . . . . 65.14 109.854 174.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -90.84 -4.01 56.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.761 -0.654 . . . . 74.2 111.371 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 35.7 t80 . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 121.329 0.585 . . . . 72.23 111.511 -172.04 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.687 ' HA ' ' CB ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.445 -0.688 0 CA-C-O 122.263 1.03 . . . . 74.12 113.232 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 mttp -106.61 -23.92 12.31 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 113.289 -1.778 . . . . 75.34 108.49 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 m -135.95 174.22 10.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.683 -1.144 . . . . 72.3 110.387 -178.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.505 ' O ' HG23 ' A' ' 14' ' ' VAL . 41.8 p90 -58.63 -38.8 78.84 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.333 -0.394 . . . . 74.4 111.673 -178.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.482 ' HD2' ' SD ' ' A' ' 37' ' ' MET . 2.7 t-80 -56.01 -40.7 73.77 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.258 0.552 . . . . 72.04 110.847 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.687 ' CB ' ' HA ' ' A' ' 7' ' ' PHE . 6.9 m-20 -73.63 -42.09 61.91 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.216 -0.902 . . . . 75.14 110.266 -171.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.56 -41.94 92.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.452 -0.795 . . . . 74.23 110.416 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 10' ' ' PHE . 88.5 t -60.29 -40.04 82.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.241 -0.436 . . . . 72.45 110.355 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.587 ' O ' ' HG3' ' A' ' 19' ' ' LYS . . . -63.19 -39.22 94.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.7 -0.682 . . . . 51.45 111.319 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.6 t -57.29 -42.36 81.54 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.87 0.367 . . . . 75.22 110.561 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -76.78 -44.36 33.12 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.161 -0.472 . . . . 73.41 110.793 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.432 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 41.1 ttm -64.6 -28.73 69.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.961 -0.563 . . . . 72.14 111.705 -175.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.587 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 96.6 mttt -48.62 -54.76 13.37 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.985 0.421 . . . . 73.32 110.952 175.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.5 m -76.28 -31.67 58.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.343 0.592 . . . . 73.35 110.745 -179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.432 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 22.0 t80 -76.44 -12.73 60.09 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.568 -0.742 . . . . 73.32 111.718 -173.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.7 p -62.99 -18.35 63.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.541 -0.299 . . . . 65.23 111.214 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 -60.99 -29.04 69.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.38 . . . . 73.42 110.817 176.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.0 mtp85 -104.75 9.84 34.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.043 -0.526 . . . . 64.44 110.81 -177.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 mp -114.77 125.63 53.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.123 -0.489 . . . . 73.12 110.377 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.28 152.71 28.4 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 109.418 -0.586 . . . . 52.34 109.418 173.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.0 mm -62.36 -36.04 72.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 116.334 -0.394 . . . . 53.45 110.221 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.45 -55.29 30.43 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 116.122 -0.49 . . . . 61.31 113.075 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.5 t -64.02 -41.32 97.47 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 117.217 0.508 . . . . 62.43 111.0 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.34 -43.33 99.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.247 0.546 . . . . 62.52 110.749 178.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.547 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 56.1 ttt180 -72.93 -32.84 65.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.695 -0.684 . . . . 70.53 111.809 -174.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -51.25 -44.2 61.69 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.955 0.407 . . . . 75.12 111.886 -177.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.501 ' CE1' ' HA ' ' A' ' 78' ' ' ASN . 6.3 t-80 -119.94 19.94 12.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.202 0.525 . . . . 75.42 110.311 -174.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.547 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 9.1 tmtt? -61.36 -68.91 0.27 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.032 -0.985 . . . . 73.5 111.598 -174.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.1 m -66.92 -35.41 79.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.015 -0.538 . . . . 74.34 111.031 -176.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 83.9 m -55.15 -53.67 52.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.423 -0.808 . . . . 63.24 111.816 -177.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.482 ' SD ' ' HD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -54.7 -38.39 66.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.823 -0.626 . . . . 72.54 111.35 -176.669 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -76.54 -51.62 11.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.063 0.458 . . . . 72.3 110.821 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.564 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.3 OUTLIER -61.04 -36.58 79.94 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.038 -0.983 . . . . 75.53 111.01 -176.24 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.457 ' HZ ' ' HG3' ' A' ' 64' ' ' MET . 45.8 t80 -66.93 -18.36 65.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.156 -0.474 . . . . 72.14 111.851 -174.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.674 ' HE2' ' HD1' ' A' ' 43' ' ' TYR . 84.0 tttt -75.73 82.55 2.7 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.488 0.661 . . . . 74.41 110.561 -177.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -76.29 -3.25 35.63 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.017 -0.992 . . . . 62.13 110.864 174.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.674 ' HD1' ' HE2' ' A' ' 41' ' ' LYS . 10.9 t80 66.68 22.25 10.45 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.677 -0.692 . . . . 74.53 110.956 176.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.2 m -67.12 -31.84 72.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.022 -0.535 . . . . 70.13 111.01 178.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -144.48 139.8 28.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.801 0.334 . . . . 74.32 110.604 -177.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.75 56.87 0.71 Allowed Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.305 -0.718 . . . . 64.03 111.305 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.438 ' HG ' ' CZ ' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -68.98 163.1 25.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.84 0.352 . . . . 60.31 111.504 -179.204 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -102.62 163.7 12.07 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.965 -0.562 . . . . 41.42 110.783 -175.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -74.39 -19.35 60.46 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.868 0.692 . . . . 74.23 112.868 -168.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -77.84 -17.88 56.91 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.232 -0.587 . . . . 73.13 109.517 176.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -91.6 -8.12 48.22 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.75 -0.659 . . . . 74.31 109.73 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.416 ' CD1' ' HG3' ' A' ' 99' ' ' PRO . 1.6 tm? -74.32 90.93 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.264 -0.88 . . . . 72.31 109.332 -179.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.464 ' O ' HD21 ' A' ' 57' ' ' LEU . 21.6 p -126.7 175.0 8.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.94 -0.573 . . . . 71.12 111.496 -174.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.482 ' CD ' ' H ' ' A' ' 54' ' ' GLU . 4.1 mp0 -53.47 -43.82 68.45 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 115.978 -0.555 . . . . 72.22 110.227 178.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -57.13 -49.0 77.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.213 -0.903 . . . . 75.22 111.077 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.438 ' CZ ' ' HG ' ' A' ' 47' ' ' LEU . 64.2 t80 -62.0 -47.11 86.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 64.44 110.309 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.464 HD21 ' O ' ' A' ' 53' ' ' THR . 4.0 mm? -57.65 -44.63 85.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.47 -0.332 . . . . 73.4 111.468 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -63.24 -47.15 83.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.425 . . . . 74.3 111.002 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -73.07 -40.08 65.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.857 0.36 . . . . 71.3 111.087 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -67.34 -32.48 73.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.211 -0.45 . . . . 72.32 110.543 -177.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.8 tp -55.19 -51.36 66.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.24 0.543 . . . . 64.33 110.034 174.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 47.9 mm -67.02 -48.1 80.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.446 -0.797 . . . . 60.4 110.472 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -55.61 -44.57 77.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.769 -0.651 . . . . 75.33 111.14 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.652 ' HE1' ' HB3' ' A' ' 75' ' ' ALA . 15.4 ttp -65.68 -48.42 72.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.859 -0.61 . . . . 75.23 111.683 -178.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.588 ' HA ' ' HB2' ' A' ' 70' ' ' ASN . 15.7 pttt -75.53 -29.61 59.5 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.688 -0.405 . . . . 73.42 111.793 -176.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -93.82 -64.34 1.09 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.839 0.352 . . . . 73.33 111.693 -176.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 m -72.35 -32.78 66.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.32 -0.4 . . . . 71.21 111.517 -172.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 64' ' ' MET . 86.9 mt -96.23 -1.1 48.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.37 -0.377 . . . . 75.23 110.843 -179.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.1 t 62.4 84.09 0.15 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.658 -0.701 . . . . 52.43 111.847 177.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.588 ' HB2' ' HA ' ' A' ' 65' ' ' LYS . 49.6 m-80 -146.35 178.82 7.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 74.04 109.836 178.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -114.7 173.4 6.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.32 -0.4 . . . . 73.42 109.981 177.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -58.92 -48.81 80.14 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.375 0.422 . . . . 75.35 110.899 -177.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.497 ' O ' ' HG3' ' A' ' 77' ' ' ARG . 40.5 t -58.02 -49.75 75.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.058 -0.519 . . . . 75.43 110.587 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.5 m -56.41 -46.87 79.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.024 0.44 . . . . 74.24 110.729 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.652 ' HB3' ' HE1' ' A' ' 64' ' ' MET . . . -62.65 -46.79 86.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.659 -0.7 . . . . 71.42 111.644 -177.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -63.15 -40.31 97.2 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 120.912 0.387 . . . . 72.11 111.368 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 73' ' ' SER . 66.8 mtt-85 -66.75 -35.08 79.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.127 0.489 . . . . 74.1 110.896 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.501 ' HA ' ' CE1' ' A' ' 33' ' ' HIS . 96.8 m-20 -63.48 -51.18 66.67 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.828 -0.624 . . . . 72.23 111.034 174.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.416 ' HG ' ' HE3' ' A' ' 64' ' ' MET . 94.3 mt -68.39 -34.88 76.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.857 -0.611 . . . . 73.51 112.363 -175.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.53 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 11.8 p -66.26 -18.66 65.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.754 0.311 . . . . 75.53 111.721 -177.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.3 m -75.42 -33.88 60.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.102 0.477 . . . . 71.14 110.359 174.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 55.7 mt -69.65 -41.92 80.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.619 . . . . 75.42 110.746 -178.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -59.33 -28.91 67.24 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.264 -0.425 . . . . 75.25 111.629 -177.895 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 63.3 mt -60.09 -48.45 87.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.772 -0.371 . . . . 64.11 110.095 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -73.31 -39.83 64.98 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 120.468 -0.493 . . . . 74.1 110.686 177.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.477 HG13 ' SD ' ' A' ' 95' ' ' MET . 53.4 t -56.79 -45.09 82.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.411 0.624 . . . . 44.01 110.322 177.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.479 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 1.3 m -62.34 -36.17 81.38 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.066 -0.97 . . . . 45.34 111.319 176.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.38 -30.72 60.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.391 . . . . 64.23 111.136 176.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.63 -22.91 66.11 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.996 -0.547 . . . . 70.31 111.119 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.606 ' HA ' ' O ' ' A' ' 95' ' ' MET . 78.0 mt -75.54 -30.46 22.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.286 0.565 . . . . 73.41 110.146 175.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -78.29 -45.21 23.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.816 -0.629 . . . . 65.11 111.004 -177.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -153.41 66.58 0.76 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.47 0.653 . . . . 75.34 110.709 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -145.19 -90.62 0.11 Allowed Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.362 -0.923 . . . . 44.1 112.311 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -163.85 -29.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.778 0.323 . . . . 74.51 110.844 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.606 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 89.1 mtp -78.62 153.71 30.85 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 116.379 -0.373 . . . . 63.54 110.272 -178.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -122.36 -41.96 2.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.212 0.53 . . . . 74.34 110.271 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -118.0 123.09 44.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.857 -0.61 . . . . 71.55 109.852 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 101' ' ' LYS . 5.2 p-10 -78.82 149.14 73.68 Favored Pre-proline 0 N--CA 1.448 -0.534 0 CA-C-N 116.297 -0.41 . . . . 72.34 110.185 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.416 ' HG3' ' CD1' ' A' ' 52' ' ' LEU . 31.5 Cg_endo -62.94 -21.21 73.03 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 123.06 2.507 . . . . 74.34 112.718 -178.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.436 ' HA ' ' HB3' ' A' ' 103' ' ' PHE . 81.1 m-85 -83.3 -0.38 49.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.128 -0.487 . . . . 72.41 111.424 -177.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -57.47 -51.22 70.33 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.949 -0.569 . . . . 52.33 110.272 175.545 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -98.51 -24.56 15.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.773 -0.649 . . . . 72.12 110.822 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.436 ' HB3' ' HA ' ' A' ' 100' ' ' PHE . 56.6 t80 . . . . . 0 C--N 1.32 -0.683 0 CA-C-N 115.697 -0.683 . . . . 73.33 110.353 -177.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.454 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 63.7 m-85 . . . . . 0 N--CA 1.442 -0.831 0 CA-C-O 120.751 0.31 . . . . 75.23 110.576 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.671 ' HZ2' ' HB2' ' A' ' 8' ' ' LYS . 10.5 mtmp? -55.57 -47.8 75.83 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.234 -0.894 . . . . 75.24 111.848 -177.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.7 p -161.36 -169.18 2.22 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.065 -0.346 . . . . 74.52 110.065 -174.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.625 ' O ' HG21 ' A' ' 14' ' ' VAL . 24.8 p90 -57.72 -38.64 75.64 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 116.254 -0.43 . . . . 74.45 109.983 174.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -62.55 -38.45 90.08 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.087 0.47 . . . . 74.42 110.632 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.454 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 17.0 t0 -77.08 -33.79 57.05 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.601 -0.727 . . . . 53.41 109.793 -178.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -67.86 -38.53 83.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.452 -0.795 . . . . 75.51 110.014 175.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.729 HG22 ' HB2' ' A' ' 85' ' ' TYR . 53.1 t -54.75 -43.55 67.19 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 CA-C-N 116.091 -0.504 . . . . 73.24 110.388 176.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.2 -33.89 71.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 62.14 111.185 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.7 t -68.29 -46.21 70.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.239 -0.437 . . . . 72.13 110.919 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -78.09 -33.04 50.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 75.14 110.764 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.705 ' HG3' ' CE2' ' A' ' 21' ' ' TYR . 31.6 ttm -58.51 -31.36 67.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 73.31 110.366 179.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -49.94 -35.76 25.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.391 -0.822 . . . . 61.15 110.914 176.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 47.4 m -66.67 -57.74 6.56 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.223 0.453 . . . . 54.01 112.223 -176.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.705 ' CE2' ' HG3' ' A' ' 18' ' ' MET . 7.7 p90 -77.08 -22.49 52.73 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.667 -0.413 . . . . 64.31 111.367 -174.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.4 m -68.16 -10.41 54.0 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.913 0.387 . . . . 72.43 110.699 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -54.71 -35.1 63.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.71 -0.677 . . . . 72.31 111.062 176.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -114.07 18.25 17.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.221 0.534 . . . . 74.41 110.989 -177.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.3 tp -97.06 131.48 43.81 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.335 -0.617 . . . . 71.11 109.335 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.481 ' HG3' ' H ' ' A' ' 29' ' ' THR . 12.7 pt-20 -59.92 148.12 36.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.329 -0.396 . . . . 75.23 110.231 177.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.6 mm -62.42 -32.47 55.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.714 -0.675 . . . . 64.34 110.532 -176.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -57.0 -58.06 16.54 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.746 -0.661 . . . . 75.11 112.824 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.481 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 7.1 t -75.52 -34.93 60.83 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.946 0.373 . . . . 63.23 111.109 -176.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -53.98 -48.84 69.93 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 120.941 0.401 . . . . 74.42 110.898 174.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -75.15 -30.13 60.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.093 -0.503 . . . . 75.14 110.636 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 79.8 t60 -67.4 -12.45 60.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.594 -0.73 . . . . 74.34 111.703 -175.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -113.86 5.13 16.14 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.349 -0.54 . . . . 74.41 111.437 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -68.22 -55.13 13.33 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.579 0.228 . . . . 72.23 111.577 -178.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.9 m -64.8 -28.62 69.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.031 0.443 . . . . 51.12 110.919 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.9 m -67.07 -48.07 69.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.814 -0.63 . . . . 73.45 111.046 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.594 ' HG2' HG23 ' A' ' 81' ' ' THR . 91.8 mtp -62.76 -26.81 68.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.101 -0.5 . . . . 63.22 111.741 178.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.443 ' HD2' ' HA ' ' A' ' 38' ' ' ARG . 2.7 tpt180 -73.51 -44.08 58.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.149 0.425 . . . . 73.14 112.149 -172.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.532 ' HB2' ' HZ2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -61.41 -6.89 2.55 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.857 1.058 . . . . 62.41 113.857 -171.144 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.653 ' HD1' ' HH ' ' A' ' 60' ' ' TYR . 78.4 t80 -61.35 -32.32 72.22 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.339 -0.615 . . . . 72.45 109.339 174.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt 60.35 87.87 0.08 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 114.868 -1.06 . . . . 74.15 112.039 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -121.66 145.96 47.48 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 109.564 -0.532 . . . . 74.32 109.564 170.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -157.91 -37.43 0.07 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.021 -0.536 . . . . 65.45 110.997 -172.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 76.4 m -128.45 130.02 46.96 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.216 -0.661 . . . . 75.51 109.216 175.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 59.42 -155.86 0.35 Allowed 'General case' 0 CA--C 1.531 0.218 0 O-C-N 123.685 0.616 . . . . 73.11 110.663 -177.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -170.18 -124.36 0.74 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.75 -0.738 . . . . 72.45 112.116 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.7 tp -135.27 140.5 45.24 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.362 -0.607 . . . . 75.44 109.362 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.47 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 2.1 mp0 -85.59 174.35 9.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.843 0.354 . . . . 55.33 110.521 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -71.05 -52.77 17.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.924 -0.58 . . . . 71.51 111.61 -174.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -78.31 8.25 5.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.486 -0.325 . . . . 75.22 111.682 -175.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.47 ' HG2' ' HB2' ' A' ' 48' ' ' GLN . 6.9 mm-40 -93.1 -11.59 32.56 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.343 -0.614 . . . . 75.31 109.343 176.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.52 ' HG ' HG21 ' A' ' 86' ' ' VAL . 1.5 tm? -97.53 100.9 12.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.449 -0.796 . . . . 72.32 109.848 -177.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.5 p -127.29 178.08 6.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.105 -0.498 . . . . 74.44 110.765 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.675 ' HG2' ' HB2' ' A' ' 102' ' ' ASP . 2.1 mp0 -59.87 -35.7 75.36 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.983 0.421 . . . . 64.43 110.427 177.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.05 -41.95 97.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.722 -0.672 . . . . 72.25 110.316 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -61.52 -48.62 80.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.066 -0.516 . . . . 65.21 110.463 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.44 -45.27 92.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 71.45 111.234 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -67.92 -44.88 75.87 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.1 -0.5 . . . . 60.15 111.182 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -62.53 -43.42 98.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.311 -0.404 . . . . 42.13 110.722 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.653 ' HH ' ' HD1' ' A' ' 40' ' ' PHE . 9.0 t80 -67.69 -33.06 74.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 74.33 110.136 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.518 HD23 ' HZ ' ' A' ' 103' ' ' PHE . 53.4 tp -58.9 -48.0 82.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 73.31 110.066 174.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 74.2 mt -59.56 -44.11 92.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.578 -0.737 . . . . 72.23 110.474 175.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -55.75 -43.53 76.74 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.154 0.502 . . . . 74.51 110.708 175.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.523 ' O ' ' HB2' ' A' ' 68' ' ' LEU . 4.0 tpp -66.39 -45.66 79.27 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.736 -0.666 . . . . 74.41 110.858 -179.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 69' ' ' CYS . 13.2 tmtt? -71.66 -48.24 48.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.053 -0.522 . . . . 64.14 110.908 -177.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -82.97 -61.84 1.76 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.416 -0.357 . . . . 72.42 111.083 -172.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.7 m -72.02 -42.71 66.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.466 -0.334 . . . . 71.44 111.807 -172.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.523 ' HB2' ' O ' ' A' ' 64' ' ' MET . 90.3 mt -86.04 -19.05 30.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.689 -0.232 . . . . 65.41 111.195 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 10.0 t 64.73 34.9 9.19 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 123.677 0.611 . . . . 72.44 110.39 -179.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.499 ' HB2' ' HG3' ' A' ' 64' ' ' MET . 13.2 m120 -97.26 149.9 21.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.125 -0.488 . . . . 63.33 110.725 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.86 172.47 13.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.13 -0.486 . . . . 75.42 111.118 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -55.98 -47.97 76.71 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.924 -0.58 . . . . 71.51 111.378 -177.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.1 m -57.22 -46.98 82.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.759 -0.655 . . . . 65.11 110.963 -177.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.5 m -64.51 -42.21 95.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.989 -0.55 . . . . 74.54 110.857 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.422 ' CB ' ' HG2' ' A' ' 64' ' ' MET . . . -62.35 -47.84 82.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.896 -0.593 . . . . 74.35 111.717 -177.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -62.77 -47.47 83.38 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.347 -0.388 . . . . 71.21 111.734 -175.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -68.11 -24.8 65.06 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.918 -0.313 . . . . 52.11 111.402 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -73.74 -40.62 63.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.936 0.398 . . . . 64.41 110.276 173.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.4 mt -68.15 -28.86 67.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.033 -0.53 . . . . 60.34 110.88 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.725 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 75.5 m -54.53 -24.99 23.11 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.563 0.579 . . . . 55.54 112.563 177.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.594 HG23 ' HG2' ' A' ' 37' ' ' MET . 72.7 p -60.49 -53.33 58.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.048 0.451 . . . . 60.53 110.562 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 83.7 mt -70.41 -32.91 51.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.794 -0.639 . . . . 71.43 110.265 176.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.725 ' HB2' ' HA ' ' A' ' 80' ' ' SER . 25.8 mmtp -53.63 -51.63 62.47 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.372 -0.376 . . . . 72.24 111.348 176.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 80' ' ' SER . 72.7 mt -62.96 -34.51 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.883 0.373 . . . . 74.14 110.998 -178.012 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.729 ' HB2' HG22 ' A' ' 14' ' ' VAL . 83.4 t80 -70.2 -53.85 15.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.01 -0.541 . . . . 64.53 110.405 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.651 ' O ' HG13 ' A' ' 90' ' ' ILE . 78.5 t -64.1 -45.52 96.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.777 -0.647 . . . . 73.21 110.558 -178.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.577 ' HA ' HD13 ' A' ' 90' ' ' ILE . 4.4 m -57.62 -36.86 72.35 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.409 -0.359 . . . . 72.44 111.756 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.32 -32.82 69.04 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.204 0.526 . . . . 45.13 110.586 177.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.84 -23.07 55.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.795 -0.639 . . . . 64.33 111.103 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.651 HG13 ' O ' ' A' ' 86' ' ' VAL . 88.4 mt -74.83 -31.68 26.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.01 -0.541 . . . . 74.21 110.838 179.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.451 ' HD3' ' HA ' ' A' ' 91' ' ' LYS . 69.4 mmtt -75.46 -45.3 39.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.366 -0.379 . . . . 64.31 111.042 -175.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -163.63 71.8 0.26 Allowed 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.404 0.621 . . . . 74.54 110.184 173.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -139.36 -65.25 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.489 -0.778 . . . . 64.42 111.612 176.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -166.58 -36.78 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.007 0.432 . . . . 74.13 110.171 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 97.3 mmm -68.86 149.8 48.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.894 -0.594 . . . . 64.13 110.367 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -129.19 -47.59 1.21 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.386 0.612 . . . . 75.44 109.911 -177.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -98.06 120.8 39.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.682 -0.69 . . . . 61.33 109.343 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.563 ' HB3' HD12 ' A' ' 90' ' ' ILE . 4.1 p-10 -77.43 150.22 79.5 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 116.335 -0.393 . . . . 74.42 110.31 -177.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -85.34 -3.49 9.4 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.807 2.338 . . . . 65.44 113.186 -178.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.408 ' HB3' ' HE2' ' A' ' 83' ' ' LYS . 38.9 p90 -94.98 -27.91 15.41 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.385 -0.526 . . . . 75.22 112.27 -174.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -53.35 -48.92 68.12 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.02 0.438 . . . . 65.23 110.951 175.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.675 ' HB2' ' HG2' ' A' ' 54' ' ' GLU . 1.3 m-20 -88.92 -3.32 58.77 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.123 -0.49 . . . . 73.22 111.527 -174.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.518 ' HZ ' HD23 ' A' ' 61' ' ' LEU . 83.5 t80 . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 116.475 -0.33 . . . . 75.33 110.657 -178.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 . . . . . 0 N--CA 1.446 -0.644 0 CA-C-O 121.126 0.489 . . . . 72.42 111.136 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -76.85 -27.82 55.24 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.266 -0.879 . . . . 53.13 111.781 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.8 m -100.6 140.28 35.09 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.954 0.407 . . . . 75.23 111.374 -174.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.411 ' O ' HG21 ' A' ' 14' ' ' VAL . 32.8 p90 -58.78 -43.17 90.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.46 -0.791 . . . . 73.42 111.468 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -65.0 -26.32 68.24 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.931 0.396 . . . . 74.32 110.541 -178.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.08 -44.51 21.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.836 -0.62 . . . . 73.35 110.43 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -63.22 -47.11 83.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.774 -0.648 . . . . 63.34 110.502 179.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.425 ' CG2' ' HB3' ' A' ' 85' ' ' TYR . 95.6 t -63.0 -44.59 99.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.827 -0.624 . . . . 71.34 111.008 -178.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' A' ' 19' ' ' LYS . . . -59.92 -45.02 93.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.628 -0.26 . . . . 64.52 111.497 -177.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -68.13 -44.88 75.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.269 -0.423 . . . . 74.43 110.88 -177.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -69.44 -39.38 77.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.817 0.341 . . . . 73.24 111.254 -177.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.609 ' HG2' ' HE1' ' A' ' 30' ' ' PHE . 34.4 ttm -64.85 -28.97 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.376 -0.375 . . . . 50.44 111.391 -176.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 93.8 mttt -54.43 -35.78 63.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.05 0.452 . . . . 71.45 111.048 175.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.4 m -95.43 -30.64 13.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.069 -0.514 . . . . 75.14 110.766 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.574 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 88.5 t80 -62.64 -30.12 71.13 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.289 -0.414 . . . . 75.21 111.356 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 p -68.08 -10.71 56.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.432 -0.349 . . . . 75.23 111.75 -178.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -69.61 -19.14 63.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.161 0.505 . . . . 75.25 110.569 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -120.47 30.52 6.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.948 -0.569 . . . . 70.14 110.708 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.53 ' HG ' HG23 ' A' ' 29' ' ' THR . 15.2 tp -141.85 142.56 33.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.947 -0.57 . . . . 73.31 109.886 178.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.535 ' HB2' HG21 ' A' ' 29' ' ' THR . 23.2 mt-10 -64.75 147.24 53.51 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.415 -0.357 . . . . 74.04 110.286 173.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.2 mt -65.43 -34.84 73.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.382 -0.372 . . . . 54.21 110.286 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.12 -55.96 27.93 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 121.07 -0.586 . . . . 38.21 112.547 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.535 HG21 ' HB2' ' A' ' 26' ' ' GLU . 8.6 t -66.31 -43.49 86.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.48 0.181 . . . . 74.43 110.843 178.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.609 ' HE1' ' HG2' ' A' ' 18' ' ' MET . 66.2 t80 -52.51 -53.39 46.62 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.539 -0.301 . . . . 75.24 111.222 175.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -61.37 -34.84 75.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 75.24 111.664 -177.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -64.87 -32.54 74.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.397 -0.365 . . . . 75.53 110.981 -176.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -123.12 37.0 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.348 0.594 . . . . 71.44 110.134 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -86.08 -53.97 4.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.451 -0.795 . . . . 75.11 111.681 -176.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 m -68.24 -72.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 63.43 111.376 -171.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 83.3 m 43.11 -87.08 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.762 1.023 . . . . 64.43 113.762 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.519 ' HE3' ' HB ' ' A' ' 81' ' ' THR . 64.6 mtt -64.14 -29.21 70.35 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.271 -0.422 . . . . 75.24 110.893 -176.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -63.94 -25.92 68.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.818 -0.628 . . . . 73.4 111.573 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.56 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 3.8 tmmm? -86.54 -31.78 21.06 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 121.37 0.605 . . . . 73.22 109.517 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -72.22 -8.38 54.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.502 -0.772 . . . . 74.24 110.661 -177.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 73.3 tttt 75.16 101.37 0.07 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.244 -0.889 . . . . 73.22 109.987 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -71.93 -176.92 1.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.332 -0.849 . . . . 73.5 111.99 -174.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 62.97 88.06 0.1 Allowed 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.03 -0.986 . . . . 74.01 110.39 -175.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.0 t -156.36 -164.39 1.66 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.571 -1.195 . . . . 72.22 108.215 -173.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -55.03 120.7 7.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.06 0.457 . . . . 74.44 110.895 178.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -78.31 77.41 1.71 Allowed Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.604 -0.725 . . . . 64.4 111.555 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 28.2 tp -59.86 125.61 24.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.815 0.341 . . . . 75.45 110.107 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -74.36 169.43 17.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.901 -0.591 . . . . 74.24 111.412 -175.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.564 ' HB2' ' HE2' ' A' ' 94' ' ' TYR . 47.0 m-85 -65.88 -49.04 69.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.521 -0.763 . . . . 75.15 110.845 -176.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.613 ' HA ' ' SD ' ' A' ' 95' ' ' MET . 26.4 t-80 -73.47 -11.32 60.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.869 -0.605 . . . . 71.51 111.066 -174.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -81.63 -11.78 58.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.894 0.378 . . . . 75.33 110.744 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.46 ' HG ' HG21 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -79.16 98.01 6.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.968 -0.56 . . . . 70.14 109.633 179.446 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.2 p -113.24 -178.84 3.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.887 -0.597 . . . . 72.0 111.867 -173.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -67.84 -38.1 82.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.741 -0.663 . . . . 74.13 109.763 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -57.23 -41.17 79.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.675 -0.693 . . . . 53.21 110.498 177.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -59.75 -51.66 68.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 75.32 110.025 177.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.28 -51.43 69.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.291 -0.413 . . . . 74.15 111.404 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.411 ' C ' ' HD3' ' A' ' 58' ' ' ARG . 3.2 tmt_? -59.19 -50.38 74.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 74.23 111.142 -176.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -68.57 -40.98 80.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.913 0.387 . . . . 64.22 111.06 -176.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -70.58 -34.15 71.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.133 -0.485 . . . . 74.53 110.401 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 58.5 tp -63.18 -50.39 70.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.915 -0.584 . . . . 70.43 110.444 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 46.0 mm -57.76 -46.18 86.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.129 -0.487 . . . . 71.1 110.541 178.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -58.51 -42.03 86.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.765 -0.652 . . . . 74.34 110.643 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.571 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 13.5 ttm -70.08 -41.66 73.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.616 -0.72 . . . . 72.1 110.938 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.588 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 7.5 tmtt? -63.39 -45.53 90.65 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.269 -0.878 . . . . 73.42 110.93 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -80.78 -64.24 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.083 0.468 . . . . 73.34 111.893 -177.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 31.7 m -74.45 -43.82 54.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.038 -0.528 . . . . 52.11 111.894 -171.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.43 HD12 ' HG3' ' A' ' 64' ' ' MET . 87.1 mt -87.15 -11.1 51.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.503 -0.317 . . . . 75.31 110.726 -177.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 65.6 m 66.53 26.81 9.83 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.925 -0.58 . . . . 65.22 112.556 173.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.588 ' O ' ' HA ' ' A' ' 65' ' ' LYS . 32.9 m-80 -97.73 152.14 19.43 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 121.049 -0.26 . . . . 73.4 110.601 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.2 -177.7 4.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.405 -0.361 . . . . 63.03 110.29 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -55.63 -57.69 10.92 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.685 0.278 . . . . 72.14 111.6 -177.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.411 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 61.5 m -63.65 -35.98 82.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.449 -0.341 . . . . 64.15 111.295 -177.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.36 -39.78 77.86 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.128 0.49 . . . . 64.43 110.252 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.51 -42.96 91.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.801 -0.636 . . . . 74.02 110.621 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -58.56 -35.36 72.24 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.124 -0.489 . . . . 75.45 111.099 178.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 73' ' ' SER . 28.4 mmt180 -63.28 -43.32 98.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.009 0.433 . . . . 62.33 110.868 177.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -73.15 -41.42 63.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.71 -0.677 . . . . 75.04 110.783 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 71.1 mt -65.59 -21.34 66.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.507 -0.77 . . . . 71.45 112.104 -177.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.6 ' O ' HG12 ' A' ' 84' ' ' ILE . 73.3 m -50.4 -32.32 17.3 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.124 0.416 . . . . 62.41 112.124 176.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.519 ' HB ' ' HE3' ' A' ' 37' ' ' MET . 37.5 p -63.63 -47.53 80.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.183 0.516 . . . . 73.53 110.917 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.63 HG23 ' HE2' ' A' ' 85' ' ' TYR . 72.8 mt -69.72 -36.59 70.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.75 -0.659 . . . . 71.22 109.97 177.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -54.07 -43.17 70.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.555 -0.748 . . . . 74.3 111.422 176.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.6 HG12 ' O ' ' A' ' 80' ' ' SER . 41.7 mm -54.73 -51.25 53.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 112.332 0.493 . . . . 73.14 112.332 -176.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.63 ' HE2' HG23 ' A' ' 82' ' ' ILE . 1.7 p90 -72.82 -28.99 62.88 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 120.045 -0.662 . . . . 74.14 110.629 -173.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.495 ' O ' HG13 ' A' ' 90' ' ' ILE . 86.9 t -75.83 -47.98 30.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.222 0.534 . . . . 71.34 110.188 176.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 m -62.04 -35.42 78.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.239 -0.892 . . . . 74.43 112.142 -176.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.09 83.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.145 0.498 . . . . 62.02 110.609 176.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.423 ' HB2' ' HB3' ' A' ' 94' ' ' TYR . . . -75.65 -28.36 58.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.723 -0.671 . . . . 63.41 110.835 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 86' ' ' VAL . 80.1 mt -66.72 -44.27 89.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.084 0.468 . . . . 73.23 110.257 177.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -65.09 -42.75 93.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.718 -0.673 . . . . 75.44 111.164 -178.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.45 ' HD2' ' HA ' ' A' ' 92' ' ' LYS . 38.0 tptt -69.29 -34.81 75.28 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.868 -0.333 . . . . 72.53 110.881 -178.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 116.71 17.22 6.06 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.448 -0.882 . . . . 70.12 113.144 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.564 ' HE2' ' HB2' ' A' ' 49' ' ' PHE . 87.7 t80 -87.23 -46.57 9.6 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.451 -0.574 . . . . 64.05 109.451 175.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.613 ' SD ' ' HA ' ' A' ' 50' ' ' HIS . 90.8 mmm -93.21 105.58 17.64 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.911 -0.586 . . . . 64.44 109.428 174.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -82.06 -33.58 29.82 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.552 -0.749 . . . . 75.5 111.271 -174.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -119.73 134.65 55.15 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.066 -0.515 . . . . 61.1 110.459 177.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -80.57 150.61 70.37 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.556 -0.747 . . . . 73.04 111.071 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -79.97 -4.06 13.1 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.957 2.438 . . . . 63.24 113.217 -178.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.693 ' HB2' ' HD2' ' A' ' 103' ' ' PHE . 29.6 p90 -109.25 19.08 19.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.439 1.114 . . . . 73.33 110.745 -178.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -52.25 -25.56 9.66 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 112.926 -1.943 . . . . 74.35 113.06 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -74.08 -16.58 61.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.903 0.382 . . . . 74.32 111.273 -176.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.693 ' HD2' ' HB2' ' A' ' 100' ' ' PHE . 52.2 m-85 . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 116.229 -0.441 . . . . 72.44 110.152 176.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.647 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 52.6 m-85 . . . . . 0 N--CA 1.445 -0.722 0 N-CA-C 109.877 -0.416 . . . . 75.21 109.877 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -58.79 -44.53 90.75 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.997 0.427 . . . . 73.34 110.727 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.8 m -156.2 -178.53 7.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.855 -0.611 . . . . 74.44 110.52 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.445 ' O ' HG23 ' A' ' 14' ' ' VAL . 30.2 p90 -56.37 -41.16 75.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.868 -0.606 . . . . 74.14 111.497 179.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.786 ' HB2' ' HB3' ' A' ' 37' ' ' MET . 12.9 p-80 -62.79 -24.56 67.8 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.452 -0.34 . . . . 73.23 111.575 -174.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.647 ' HB2' ' HB3' ' A' ' 7' ' ' PHE . 7.4 m-20 -76.62 -45.85 28.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.928 0.394 . . . . 72.51 110.347 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -68.06 -43.52 78.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.941 -0.572 . . . . 74.43 110.18 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.489 ' CG2' ' HB2' ' A' ' 85' ' ' TYR . 86.8 t -61.14 -39.72 83.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.178 -0.465 . . . . 65.33 110.551 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.55 98.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.505 -0.316 . . . . 74.01 110.836 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -71.15 -38.11 72.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.998 0.427 . . . . 55.51 110.673 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -69.94 -42.55 73.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.047 0.451 . . . . 72.51 109.979 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.665 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 34.3 ttm -67.37 -35.08 78.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.981 -0.554 . . . . 73.03 110.043 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -55.83 -33.84 64.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.619 -0.718 . . . . 72.32 110.506 174.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.2 m -69.2 -52.83 23.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.653 -0.703 . . . . 74.53 111.611 -177.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.665 ' CE2' ' HA ' ' A' ' 18' ' ' MET . 16.2 p90 -90.03 3.55 52.87 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 120.73 -0.388 . . . . 65.44 111.548 -176.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.9 t -62.24 -10.68 11.5 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.063 0.459 . . . . 64.23 110.801 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -65.94 -30.59 71.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.678 -0.692 . . . . 74.03 110.389 178.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -102.55 -9.65 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 74.42 110.783 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.455 HD12 ' HE1' ' A' ' 21' ' ' TYR . 14.7 tp -89.23 128.25 35.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.497 -0.32 . . . . 74.1 110.21 -173.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.21 150.88 33.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.838 -0.619 . . . . 71.24 109.542 173.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.9 mm -67.19 -32.73 58.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.934 -0.575 . . . . 63.13 110.578 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.28 -54.01 28.67 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 121.203 -0.522 . . . . 72.31 113.303 -178.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.424 HG23 ' HG ' ' A' ' 25' ' ' LEU . 1.8 t -67.61 -52.06 42.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.018 0.409 . . . . 75.42 111.042 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.402 ' HB2' HD21 ' A' ' 25' ' ' LEU . 82.3 t80 -50.19 -49.69 51.7 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 123.203 0.314 . . . . 73.01 111.692 178.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -61.94 -21.87 65.15 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.215 0.821 . . . . 71.11 113.215 -173.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -85.79 -63.05 1.39 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.207 0.447 . . . . 63.44 112.207 -175.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -84.02 11.84 7.25 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.446 0.535 . . . . 74.03 112.446 -172.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.487 ' HD3' ' N ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -80.93 -33.29 34.16 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.057 0.455 . . . . 71.24 110.152 172.693 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.487 ' N ' ' HD3' ' A' ' 34' ' ' LYS . 15.6 m -75.5 -33.86 60.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.394 -0.821 . . . . 71.11 110.749 -179.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.0 m -55.75 -52.2 64.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.799 -0.637 . . . . 73.12 111.51 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.786 ' HB3' ' HB2' ' A' ' 11' ' ' HIS . 71.7 mtm -60.6 -26.99 67.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.259 -0.882 . . . . 74.33 111.978 -178.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.429 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 5.8 mpt_? -77.13 -38.32 52.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.114 0.483 . . . . 74.1 111.024 178.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -73.33 -51.37 17.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.698 -0.683 . . . . 75.43 112.265 -172.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -68.61 3.25 1.93 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.893 1.072 . . . . 72.21 113.893 -169.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 38' ' ' ARG . 23.6 pttm -85.19 7.36 22.2 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.908 -0.495 . . . . 70.42 111.614 -175.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.69 -34.35 77.66 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.925 0.342 . . . . 73.15 111.925 -173.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -77.34 -14.28 59.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.657 0.265 . . . . 74.41 111.0 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.8 t 58.4 35.1 24.54 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.839 -0.619 . . . . 73.11 110.473 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -110.73 142.22 42.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.131 -0.486 . . . . 71.21 110.401 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.11 -138.65 8.34 Favored Glycine 0 N--CA 1.439 -1.121 0 N-CA-C 110.898 -0.881 . . . . 63.42 110.898 172.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.536 ' HG ' ' HB2' ' A' ' 51' ' ' GLU . 12.7 tp -166.51 135.37 2.94 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.432 -0.581 . . . . 75.21 109.432 -179.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -81.84 168.18 18.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.222 0.534 . . . . 65.13 110.616 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -62.61 -42.54 99.64 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.223 -0.899 . . . . 72.12 111.488 -176.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -77.41 -10.69 59.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.858 -0.61 . . . . 52.44 111.333 -177.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.536 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . 48.4 mt-10 -84.45 -30.2 25.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.911 0.386 . . . . 74.3 110.164 177.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.45 98.89 2.35 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.226 -0.657 . . . . 71.14 109.226 178.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.9 p -137.46 172.33 13.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.75 -0.659 . . . . 74.44 110.672 -175.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.449 ' HG3' ' HA ' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -54.78 -42.37 71.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.137 0.494 . . . . 61.51 109.974 174.625 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -51.05 -46.8 61.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.983 -1.008 . . . . 63.3 111.26 176.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -61.66 -48.15 82.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.034 -0.53 . . . . 74.42 110.744 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.74 -42.92 84.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.476 -0.329 . . . . 73.42 111.151 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.455 ' O ' HG12 ' A' ' 62' ' ' ILE . 60.6 mtp180 -63.26 -55.62 23.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.026 0.441 . . . . 64.54 110.663 178.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -57.95 -44.73 87.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.249 -0.887 . . . . 75.24 111.715 -177.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -68.8 -36.77 78.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 62.32 110.367 -178.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 58.9 tp -58.74 -49.88 76.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 71.53 110.345 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.455 HG12 ' O ' ' A' ' 58' ' ' ARG . 51.6 mm -57.48 -47.92 83.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.582 -0.736 . . . . 63.32 110.512 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -56.43 -42.05 77.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.198 0.523 . . . . 74.45 110.824 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.794 ' HE2' ' HB1' ' A' ' 75' ' ' ALA . 3.2 ttp -68.55 -38.5 80.85 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.762 -0.653 . . . . 60.33 111.653 -177.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 69' ' ' CYS . 19.4 ptmt -84.83 -23.1 29.21 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.512 -0.475 . . . . 72.12 111.902 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -90.51 -62.05 1.54 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.67 -0.241 . . . . 72.52 110.912 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.9 m -74.4 -47.76 31.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.858 0.361 . . . . 74.34 111.01 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 64' ' ' MET . 96.9 mt -84.02 -18.09 38.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 75.5 110.904 -178.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 33.0 t 64.66 29.82 12.79 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.908 -0.587 . . . . 74.21 111.617 176.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.44 ' N ' HD21 ' A' ' 70' ' ' ASN . 0.9 OUTLIER -89.7 148.42 23.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.077 -0.389 . . . . 75.54 110.339 178.048 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.17 170.35 14.83 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.477 -0.329 . . . . 54.01 110.388 -178.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -59.97 -43.56 95.01 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.032 0.444 . . . . 70.43 110.882 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.637 ' O ' ' HD3' ' A' ' 77' ' ' ARG . 14.8 m -60.02 -25.58 65.41 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.136 -0.484 . . . . 64.34 110.749 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.2 m -86.79 -53.42 4.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.311 0.577 . . . . 73.3 110.781 175.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.794 ' HB1' ' HE2' ' A' ' 64' ' ' MET . . . -62.65 -41.77 99.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.378 -0.828 . . . . 72.3 112.437 -173.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -34.22 71.19 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.884 0.474 . . . . 70.5 111.263 -179.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.637 ' HD3' ' O ' ' A' ' 73' ' ' SER . 10.3 mpt_? -77.72 -30.25 51.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.857 0.361 . . . . 74.1 110.408 -178.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.572 ' O ' HG23 ' A' ' 81' ' ' THR . 56.9 t30 -73.83 -43.99 57.04 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.338 -0.392 . . . . 53.43 110.0 176.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.8 mt -59.4 -32.41 70.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 73.31 110.486 176.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.458 ' O ' HG13 ' A' ' 84' ' ' ILE . 73.3 m -59.79 -26.6 65.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.994 -0.548 . . . . 75.21 112.237 177.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 78' ' ' ASN . 1.3 t -71.27 -36.57 71.77 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.842 -0.429 . . . . 75.51 109.842 -178.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 96.7 mt -75.98 -32.51 23.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 121.037 0.446 . . . . 74.51 109.861 174.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 87' ' ' SER . 18.6 tttt -57.2 -37.02 71.56 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.696 -0.684 . . . . 72.41 110.721 178.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 80' ' ' SER . 67.0 mt -58.86 -41.14 81.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.787 0.327 . . . . 62.5 110.627 178.039 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.489 ' HB2' ' CG2' ' A' ' 14' ' ' VAL . 65.8 t80 -69.7 -48.3 60.1 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.775 -0.454 . . . . 72.43 109.775 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.621 ' O ' HG13 ' A' ' 90' ' ' ILE . 80.0 t -60.01 -49.72 82.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.516 -0.765 . . . . 64.31 110.676 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.501 ' HA ' HD11 ' A' ' 90' ' ' ILE . 2.7 m -62.42 -38.13 88.5 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.559 -0.746 . . . . 73.3 111.632 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.37 -37.04 85.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.231 0.539 . . . . 71.44 110.034 175.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.74 -23.63 64.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.64 -0.709 . . . . 75.21 111.266 177.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.621 HG13 ' O ' ' A' ' 86' ' ' VAL . 62.6 mt -79.66 -38.93 19.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.094 0.473 . . . . 72.15 110.143 176.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -77.39 -45.12 26.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.87 -0.604 . . . . 73.34 111.299 -175.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -141.0 31.46 1.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.961 0.41 . . . . 63.13 111.829 -174.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -120.69 -97.43 1.58 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.385 -0.912 . . . . 74.11 112.73 -179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -148.34 -32.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.603 0.239 . . . . 64.33 110.926 -176.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.404 ' HB2' ' HA ' ' A' ' 90' ' ' ILE . 98.8 mmm -53.0 131.38 36.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.951 -0.568 . . . . 55.23 111.35 -177.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -78.13 -46.39 20.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.744 -0.662 . . . . 75.15 110.215 -176.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -141.29 172.51 12.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.037 -0.529 . . . . 75.13 110.082 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.455 ' OD2' ' HG2' ' A' ' 101' ' ' LYS . 4.1 p-10 -85.71 144.18 39.35 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.86 -0.609 . . . . 73.21 110.66 178.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.01 -4.72 15.2 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.805 2.337 . . . . 65.51 113.786 -173.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.59 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 52.8 p90 -102.6 -0.25 32.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.63 0.729 . . . . 72.35 111.35 -178.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.915 ' HA ' ' HE2' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -55.98 -44.74 78.86 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.8 -1.091 . . . . 73.43 110.732 175.306 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -106.66 17.67 22.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.7 0.762 . . . . 65.03 109.904 -177.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.59 ' HB2' ' HA ' ' A' ' 100' ' ' PHE . 20.6 t80 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 115.157 -0.929 . . . . 74.22 111.759 -175.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.572 ' HB3' ' CB ' ' A' ' 12' ' ' ASP . 3.7 m-85 . . . . . 0 N--CA 1.443 -0.824 0 N-CA-C 109.19 -0.67 . . . . 72.42 109.19 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.657 ' HZ2' ' HB2' ' A' ' 8' ' ' LYS . 9.8 mtmp? -89.92 -28.28 19.28 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.315 -0.402 . . . . 73.34 111.18 -177.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.552 ' HA ' ' HA2' ' A' ' 46' ' ' GLY . 11.2 m -144.1 175.69 9.86 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.9 0.381 . . . . 62.23 111.827 -166.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.644 ' HE1' ' H ' ' A' ' 44' ' ' CYS . 47.4 p90 -59.12 -38.32 79.32 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.787 -0.642 . . . . 64.14 111.554 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.689 ' HD2' ' HB3' ' A' ' 43' ' ' TYR . 19.5 p80 -64.85 -24.49 67.56 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 120.797 -0.361 . . . . 72.41 110.423 -178.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.572 ' CB ' ' HB3' ' A' ' 7' ' ' PHE . 23.5 m-20 -80.27 -48.29 13.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.117 0.484 . . . . 73.2 110.361 176.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -62.44 -49.02 77.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.714 -0.676 . . . . 74.51 111.092 -178.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.5 t -64.94 -34.46 70.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.045 -0.525 . . . . 72.34 110.572 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.63 -41.19 98.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.562 0.22 . . . . 54.34 111.083 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -68.24 -44.58 75.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.357 -0.383 . . . . 54.52 110.444 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -62.35 -43.24 99.29 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.219 0.533 . . . . 74.12 110.209 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.504 ' HG3' ' HE1' ' A' ' 30' ' ' PHE . 34.2 tpp -61.08 -47.21 87.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.237 -0.892 . . . . 75.34 110.16 178.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -57.96 -38.25 75.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.347 -0.842 . . . . 54.33 110.668 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 84.9 m -60.16 -51.35 69.98 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.177 -0.465 . . . . 62.11 112.058 -176.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.445 ' HE1' ' SD ' ' A' ' 18' ' ' MET . 4.2 p90 -84.22 -13.94 51.35 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.895 -0.503 . . . . 73.31 110.906 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.5 t -65.82 -11.55 47.26 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.083 -0.508 . . . . 70.55 111.462 177.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 23' ' ' ARG . 50.4 mtp180 -64.46 -22.06 66.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.963 0.411 . . . . 75.55 111.176 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -87.02 -41.51 13.81 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.091 -0.504 . . . . 63.2 111.36 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 2.4 pp -91.29 173.29 8.0 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 121.431 0.634 . . . . 73.21 111.916 -172.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -88.22 168.4 12.77 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.25 -0.887 . . . . 74.33 110.846 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.1 mm -66.79 -29.29 45.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.915 -0.584 . . . . 73.02 110.464 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.17 -51.73 48.57 Favored Glycine 0 CA--C 1.522 0.469 0 CA-C-N 116.036 -0.529 . . . . 42.34 113.494 -178.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.9 t -79.22 -36.52 39.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.796 0.331 . . . . 75.43 110.629 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.504 ' HE1' ' HG3' ' A' ' 18' ' ' MET . 37.6 t80 -54.34 -53.3 55.78 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.288 -0.414 . . . . 74.4 111.443 175.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.688 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 36.1 ptt180 -66.66 -25.54 66.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 73.05 111.129 -176.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -60.29 -34.68 74.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.325 -0.398 . . . . 75.35 111.043 -176.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -111.03 5.81 20.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.99 0.424 . . . . 75.33 110.693 177.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.688 ' HB3' ' HA ' ' A' ' 31' ' ' ARG . 79.6 tttt -96.3 -42.48 8.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.95 -0.568 . . . . 74.11 111.317 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.6 t -62.64 -29.51 70.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.472 -0.785 . . . . 75.34 112.22 -167.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 56.3 m -61.12 -62.44 1.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.87 0.367 . . . . 42.03 110.858 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 48.8 ttm -68.74 -28.9 67.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.857 -0.61 . . . . 74.23 110.982 -178.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.531 ' HG3' ' HE2' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -65.21 -44.23 88.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.273 -0.421 . . . . 71.31 110.958 -177.565 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -57.96 -67.31 0.35 Allowed 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.74 -0.664 . . . . 62.52 111.937 -177.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.539 ' HD1' ' HB3' ' A' ' 42' ' ' GLU . 7.9 t80 -71.85 -22.24 61.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.971 -0.558 . . . . 75.24 111.197 -176.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.5 pttt 46.72 35.35 3.03 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.093 0.957 . . . . 71.23 111.718 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.539 ' HB3' ' HD1' ' A' ' 40' ' ' PHE . 6.0 pt-20 -64.29 152.04 42.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.274 -0.876 . . . . 73.1 112.213 -175.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.689 ' HB3' ' HD2' ' A' ' 11' ' ' HIS . 27.8 p90 -155.21 139.02 16.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.581 -0.736 . . . . 71.11 110.753 -176.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.644 ' H ' ' HE1' ' A' ' 10' ' ' PHE . 48.2 t -98.41 60.79 1.38 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.089 -0.708 . . . . 71.34 109.089 174.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 68.65 -70.35 0.13 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.403 -0.817 . . . . 71.01 111.115 -176.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.552 ' HA2' ' HA ' ' A' ' 9' ' ' SER . . . -140.26 -130.33 2.64 Favored Glycine 0 N--CA 1.442 -0.955 0 N-CA-C 110.996 -0.842 . . . . 42.14 110.996 177.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.583 HD21 HD23 ' A' ' 52' ' ' LEU . 2.5 tm? -176.35 112.34 0.1 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.67 0.748 . . . . 72.42 111.097 170.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -126.55 -177.6 4.06 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 114.356 -1.293 . . . . 74.01 108.061 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -66.25 -34.58 78.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.139 0.495 . . . . 75.01 110.61 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -73.48 -8.03 54.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.941 -0.572 . . . . 74.04 111.47 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -110.25 6.17 22.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.965 0.412 . . . . 64.4 111.017 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.583 HD23 HD21 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -128.62 87.19 2.55 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.023 -0.732 . . . . 74.41 109.023 178.011 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.478 ' O ' HD23 ' A' ' 57' ' ' LEU . 38.7 p -132.19 179.66 5.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.088 -0.506 . . . . 74.41 111.178 -174.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.521 ' CG ' ' HA ' ' A' ' 103' ' ' PHE . 6.7 tm-20 -57.9 -45.99 85.61 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.698 -0.482 . . . . 73.42 109.698 172.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.91 -36.44 79.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.683 -0.69 . . . . 54.33 110.662 -178.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.498 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 87.9 t80 -63.16 -51.42 66.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 73.22 110.336 176.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 53' ' ' THR . 4.3 mm? -61.28 -40.44 94.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.266 -0.424 . . . . 72.22 110.912 178.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -60.13 -53.72 54.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.603 -0.726 . . . . 75.34 110.998 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.77 -38.08 88.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 71.52 111.046 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.498 ' HB2' ' O ' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -71.3 -28.75 64.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.913 -0.585 . . . . 74.33 111.19 -176.467 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.7 tp -64.95 -48.15 75.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.173 0.511 . . . . 65.43 109.961 173.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.6 mm -59.4 -50.06 81.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.469 -0.787 . . . . 72.24 109.8 175.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -55.38 -38.31 68.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.449 -0.796 . . . . 74.05 111.17 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.592 ' HG2' ' CB ' ' A' ' 75' ' ' ALA . 22.1 tpp -62.76 -47.89 81.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.902 -0.59 . . . . 75.23 111.569 -178.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 12.5 tmtt? -83.03 -42.79 17.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.7 -0.682 . . . . 71.22 110.479 -174.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -73.9 -61.13 1.95 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.637 -0.711 . . . . 74.14 111.368 -176.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.3 m -80.35 -47.7 14.08 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.306 0.484 . . . . 73.04 112.306 -173.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.422 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 1.8 tt -80.24 -88.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.741 -0.384 . . . . 73.41 111.15 -171.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 68' ' ' LEU . 63.3 m -174.89 -49.09 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.134 0.492 . . . . 73.11 111.005 -171.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.683 ' HB3' ' HB ' ' A' ' 74' ' ' THR . 20.7 m-80 -61.05 140.11 57.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.985 -1.007 . . . . 75.24 112.619 -166.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.56 -177.81 6.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.175 -0.92 . . . . 64.31 109.577 174.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -50.01 -57.36 7.75 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.885 0.374 . . . . 72.51 111.483 -175.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.9 m -57.42 -46.32 83.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.793 -0.639 . . . . 62.02 111.529 -176.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.683 ' HB ' ' HB3' ' A' ' 70' ' ' ASN . 1.4 m -71.34 -35.35 71.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.906 0.384 . . . . 54.32 110.819 -178.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.592 ' CB ' ' HG2' ' A' ' 64' ' ' MET . . . -59.27 -38.93 81.36 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.991 -0.55 . . . . 63.1 110.131 176.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -58.39 -35.01 71.36 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.377 -0.829 . . . . 73.33 110.971 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -70.71 -46.0 63.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 74.44 111.079 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -70.14 -21.77 63.05 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.079 0.466 . . . . 74.32 110.775 -177.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 93.0 mt -86.79 -31.92 20.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.027 0.441 . . . . 72.43 110.547 174.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.572 ' O ' HG13 ' A' ' 84' ' ' ILE . 34.9 t -64.0 -33.87 76.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.037 -0.529 . . . . 74.25 111.137 -179.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.2 p -60.75 -48.69 80.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.049 0.452 . . . . 61.54 110.479 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.4 mt -63.0 -40.3 88.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.607 -0.724 . . . . 74.44 110.221 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 87' ' ' SER . 21.2 tttm -59.21 -35.49 73.7 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.719 -0.673 . . . . 70.54 111.346 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 80' ' ' SER . 76.6 mt -59.95 -39.84 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.951 0.405 . . . . 73.23 110.439 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -72.94 -43.94 61.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 75.12 110.153 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.62 HG13 ' SD ' ' A' ' 95' ' ' MET . 90.6 t -62.43 -51.78 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.882 -0.599 . . . . 74.52 111.015 178.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.458 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 1.3 m -57.53 -35.61 70.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.706 -0.679 . . . . 70.25 111.454 179.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.61 -33.7 64.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.427 . . . . 73.53 110.953 177.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.587 ' HB1' ' HB3' ' A' ' 94' ' ' TYR . . . -67.7 -25.81 65.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.134 -0.484 . . . . 53.23 111.2 179.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 86' ' ' VAL . 58.9 mt -71.13 -39.52 73.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.084 0.469 . . . . 62.51 109.916 176.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.481 ' O ' ' HD3' ' A' ' 91' ' ' LYS . 8.1 tmtt? -66.82 -38.11 85.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.755 -0.657 . . . . 63.1 109.3 176.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -68.05 -32.63 73.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.528 -0.76 . . . . 73.34 110.765 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.69 24.85 7.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.894 -0.67 . . . . 65.15 112.345 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.587 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 66.5 t80 -90.36 -46.28 8.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.005 0.431 . . . . 74.15 110.07 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.62 ' SD ' HG13 ' A' ' 86' ' ' VAL . 87.2 mtp -109.9 149.1 30.39 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.144 -0.48 . . . . 71.21 110.593 178.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -77.43 -35.39 54.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.779 -0.646 . . . . 73.13 111.719 -176.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -155.72 157.67 36.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.265 -0.425 . . . . 74.01 111.457 -174.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.59 144.21 93.77 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.381 -0.827 . . . . 73.21 110.578 174.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -64.89 -27.43 58.87 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.381 2.054 . . . . 65.42 110.499 171.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -60.91 -29.73 69.76 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.104 -0.953 . . . . 72.32 110.838 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -72.08 -45.44 60.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.163 -0.471 . . . . 71.11 111.039 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -83.7 -11.14 57.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.932 -0.576 . . . . 63.32 110.673 -176.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.521 ' HA ' ' CG ' ' A' ' 54' ' ' GLU . 38.4 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.54 -0.755 . . . . 71.15 110.913 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.447 -0.585 0 N-CA-C 109.611 -0.514 . . . . 71.22 109.611 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -78.13 -25.99 47.65 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.328 -0.396 . . . . 71.13 111.43 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.8 p -157.85 -173.44 4.37 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.077 0.465 . . . . 52.44 111.484 -174.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.422 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.5 p90 -57.84 -40.63 80.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.263 -0.881 . . . . 74.22 111.771 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -73.69 -23.36 59.8 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 120.699 -0.4 . . . . 74.35 111.286 -174.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.79 -41.8 51.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.95 0.405 . . . . 64.22 110.334 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.58 ' CD1' ' HB2' ' A' ' 85' ' ' TYR . 24.4 t80 -62.83 -42.73 99.85 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.417 -0.586 . . . . 74.12 109.417 177.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.512 HG22 ' HE1' ' A' ' 37' ' ' MET . 54.3 t -56.83 -55.34 20.52 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.304 0 CA-C-N 115.198 -0.91 . . . . 73.5 111.184 177.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.06 -28.99 63.05 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.143 0.423 . . . . 54.24 112.143 -175.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.3 t -78.92 -45.19 21.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.717 -0.22 . . . . 74.11 111.238 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -77.44 -40.32 43.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.228 0.537 . . . . 74.52 110.422 -177.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.583 ' HB3' ' HE1' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -62.67 -28.34 69.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.385 -0.825 . . . . 75.32 111.474 178.248 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -49.83 -32.71 14.84 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.929 -0.578 . . . . 72.13 110.972 175.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.5 m -57.7 -56.07 26.67 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.294 -0.412 . . . . 75.43 112.089 -178.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.583 ' HE2' HD21 ' A' ' 25' ' ' LEU . 31.1 p90 -89.79 -7.06 55.25 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 121.041 -0.264 . . . . 71.23 111.12 -176.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.4 t -58.3 -21.02 47.46 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.488 -0.324 . . . . 72.44 111.468 176.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -68.23 -23.16 64.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.055 0.455 . . . . 70.11 110.833 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -112.81 13.29 19.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.964 -0.562 . . . . 71.23 110.422 -174.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.583 HD21 ' HE2' ' A' ' 21' ' ' TYR . 16.2 tp -127.94 139.91 52.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.83 -0.623 . . . . 70.45 109.703 -179.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -65.03 142.54 58.38 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.205 -0.452 . . . . 65.52 110.773 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.5 mm -61.03 -35.61 66.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.768 -0.651 . . . . 71.33 110.196 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.29 -47.76 79.87 Favored Glycine 0 CA--C 1.519 0.317 0 CA-C-N 115.826 -0.625 . . . . 74.12 112.685 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.496 HG23 ' HG ' ' A' ' 25' ' ' LEU . 8.8 t -79.44 -43.14 23.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.579 -0.365 . . . . 75.34 110.869 -178.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.583 ' HE1' ' HB3' ' A' ' 18' ' ' MET . 83.4 t80 -54.71 -44.31 73.36 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.821 0.344 . . . . 75.41 111.921 177.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.426 ' HB2' ' OG ' ' A' ' 35' ' ' SER . 22.2 ptt180 -69.59 -19.21 63.66 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.658 0.244 . . . . 65.23 111.658 -175.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -56.94 -24.01 49.68 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.819 0.342 . . . . 72.01 110.964 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -104.83 -60.86 1.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.19 -0.459 . . . . 75.11 109.78 176.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -51.05 -54.37 25.36 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.303 -0.862 . . . . 74.42 112.782 -175.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.426 ' OG ' ' HB2' ' A' ' 31' ' ' ARG . 27.3 m -74.82 -23.68 58.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.66 0.267 . . . . 51.43 111.548 -173.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.485 ' O ' ' HB2' ' A' ' 39' ' ' LYS . 69.5 m -80.39 -45.43 17.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.914 0.388 . . . . 73.45 111.544 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.512 ' HE1' HG22 ' A' ' 14' ' ' VAL . 81.8 mtp -61.79 -27.12 68.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.107 -0.497 . . . . 72.01 111.282 179.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -78.94 -26.15 43.6 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.054 0.39 . . . . 74.2 112.054 176.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 1.018 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -52.7 -63.05 1.27 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 114.323 1.231 . . . . 73.11 114.323 -169.68 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -46.56 -51.07 16.36 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.881 0.738 . . . . 72.14 111.587 -173.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.0 tttm 48.11 94.43 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.824 1.046 . . . . 72.23 113.824 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -90.0 -85.23 0.22 Allowed 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.812 -0.555 . . . . 74.52 110.105 170.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -116.45 15.24 15.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.186 -0.461 . . . . 72.3 109.978 176.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 66.3 m 72.58 -0.38 3.33 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.142 -0.935 . . . . 74.34 110.416 -173.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.23 150.99 20.92 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.919 -1.141 . . . . 73.43 107.919 175.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 175.55 98.83 0.11 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.27 -0.967 . . . . 55.41 113.202 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.583 HD13 HD22 ' A' ' 52' ' ' LEU . 3.0 tm? 74.61 127.34 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.62 0.724 . . . . 74.41 111.735 171.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.491 HE21 ' C ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -113.49 -174.55 2.48 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.623 -0.717 . . . . 63.41 109.928 177.426 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -82.88 -23.5 33.59 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 113.441 0.904 . . . . 73.52 113.441 -168.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -89.39 -27.94 20.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.311 0.577 . . . . 73.55 110.534 -178.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -87.36 -3.04 59.02 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.365 -0.834 . . . . 74.11 110.781 177.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.583 HD22 HD13 ' A' ' 47' ' ' LEU . 3.2 tm? -81.81 105.94 13.34 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.081 -0.711 . . . . 74.13 109.081 175.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.496 ' O ' HD23 ' A' ' 57' ' ' LEU . 77.9 p -135.04 174.02 11.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.98 -0.554 . . . . 72.11 110.466 -178.038 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.578 ' HG2' ' HD1' ' A' ' 103' ' ' PHE . 9.2 tm-20 -57.74 -38.74 75.87 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.22 -0.659 . . . . 74.35 109.22 171.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.85 -41.94 88.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.491 -0.777 . . . . 72.2 110.647 176.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.475 ' CE2' ' HG ' ' A' ' 47' ' ' LEU . 71.0 t80 -66.67 -44.66 81.24 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.877 -0.329 . . . . 73.45 110.653 179.371 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.53 HD11 HD23 ' A' ' 79' ' ' LEU . 4.3 mm? -54.59 -42.22 70.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.227 0.537 . . . . 70.0 110.101 176.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.443 ' HD3' ' N ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -66.86 -43.49 83.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.445 -0.798 . . . . 74.31 111.387 176.358 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.443 ' N ' ' HD3' ' A' ' 58' ' ' ARG . 31.4 t70 -69.04 -42.77 75.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.85 0.357 . . . . 72.52 111.169 -177.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -66.73 -32.57 73.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.297 -0.411 . . . . 74.42 109.932 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 50.3 tp -59.2 -49.68 76.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.901 -0.59 . . . . 62.51 110.204 173.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.97 -46.7 95.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.685 -0.688 . . . . 75.53 110.715 177.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -57.56 -37.79 73.72 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.018 -0.537 . . . . 74.02 110.601 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.698 ' HG2' ' HB2' ' A' ' 75' ' ' ALA . 8.4 tpp -62.2 -42.86 99.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.696 -0.684 . . . . 73.41 110.791 178.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -78.82 -41.0 31.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.94 -0.573 . . . . 71.51 110.543 -177.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -74.47 -65.04 0.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.993 -0.549 . . . . 74.03 111.561 -176.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.5 m -80.99 -49.84 10.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.247 -0.433 . . . . 72.21 111.778 -174.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 64' ' ' MET . 87.1 mt -77.75 -14.47 59.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.649 -0.25 . . . . 74.13 111.36 -174.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 60.6 m 65.15 27.69 12.32 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.645 0.59 . . . . 70.51 111.946 174.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -104.86 151.14 24.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.203 0.525 . . . . 73.54 111.198 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.41 165.97 23.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.454 -0.794 . . . . 73.24 111.708 -176.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -56.33 -39.01 72.12 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.692 -0.685 . . . . 74.01 111.179 -178.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.1 m -59.66 -41.0 89.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.766 0.317 . . . . 42.01 111.139 -178.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.3 m -72.99 -42.14 63.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.017 0.437 . . . . 61.31 110.211 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.698 ' HB2' ' HG2' ' A' ' 64' ' ' MET . . . -61.53 -47.61 84.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.879 -0.6 . . . . 72.13 111.262 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -57.79 -39.58 77.85 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.974 -0.557 . . . . 62.23 111.35 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -70.41 -38.97 74.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.202 -0.454 . . . . 71.12 111.234 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.404 ' O ' HG13 ' A' ' 82' ' ' ILE . 96.0 m-20 -65.57 -38.91 90.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.036 0.446 . . . . 70.21 110.314 176.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.57 HD22 HD13 ' A' ' 82' ' ' ILE . 98.3 mt -68.93 -33.14 73.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.749 -0.66 . . . . 75.45 110.369 177.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.565 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 16.0 t -62.79 -33.33 74.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.043 -0.526 . . . . 75.53 111.178 178.228 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.57 -27.27 58.52 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.777 -0.369 . . . . 74.31 110.92 175.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.57 HD13 HD22 ' A' ' 79' ' ' LEU . 60.9 mt -66.56 -46.39 86.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 73.11 111.044 178.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.565 ' HG3' ' O ' ' A' ' 80' ' ' SER . 3.2 pptp? -59.06 -28.76 66.77 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.741 -0.208 . . . . 74.54 111.137 179.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.491 HD11 ' HZ2' ' A' ' 83' ' ' LYS . 46.8 mm -61.05 -52.96 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 121.071 -0.252 . . . . 62.31 111.247 177.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.58 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 1.9 p90 -73.52 -32.95 64.52 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 120.584 -0.446 . . . . 74.23 110.472 -176.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.544 ' O ' HG13 ' A' ' 90' ' ' ILE . 73.2 t -64.19 -48.86 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.68 -0.489 . . . . 74.01 109.68 175.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.47 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 1.7 m -58.01 -38.6 76.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.594 -0.73 . . . . 75.21 111.169 176.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.5 -33.79 76.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.036 0.446 . . . . 63.21 111.198 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.54 -28.17 58.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.312 -0.404 . . . . 63.42 110.912 177.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.57 HG12 ' HB3' ' A' ' 95' ' ' MET . 75.5 mt -70.18 -41.63 78.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.469 -0.332 . . . . 72.41 111.058 -179.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -65.75 -34.5 78.34 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.842 -0.343 . . . . 72.43 111.074 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -89.59 -1.12 57.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.197 0.522 . . . . 74.03 110.932 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.03 17.84 73.61 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.83 -0.623 . . . . 71.23 113.912 172.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -83.05 -29.6 28.69 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.601 -0.889 . . . . 72.32 108.601 175.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.57 ' HB3' HG12 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -111.2 124.45 52.24 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 107.884 -1.154 . . . . 72.11 107.884 172.018 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -81.85 -37.18 27.36 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 113.404 0.89 . . . . 74.31 113.404 -168.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -139.3 147.42 41.59 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.45 -0.5 . . . . 74.23 111.22 -170.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.13 139.32 65.0 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 116.003 -0.544 . . . . 70.53 111.297 -178.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.414 ' HD2' ' H ' ' A' ' 100' ' ' PHE . 40.6 Cg_endo -96.08 -23.94 0.13 Allowed 'Trans proline' 0 N--CA 1.448 -1.191 0 C-N-CA 123.142 2.562 . . . . 72.12 111.889 170.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.682 ' HA ' ' HB3' ' A' ' 103' ' ' PHE . 98.0 m-85 -84.58 -15.25 46.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.995 -0.548 . . . . 74.33 110.84 -174.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.92 -38.49 91.15 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 109.325 -0.62 . . . . 71.5 109.325 175.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.7 -28.93 22.81 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 115.822 -0.626 . . . . 74.34 110.624 175.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.682 ' HB3' ' HA ' ' A' ' 100' ' ' PHE . 71.4 t80 . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 115.536 -0.756 . . . . 75.32 109.871 177.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.438 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 1.6 p90 . . . . . 0 N--CA 1.45 -0.466 0 CA-C-O 121.436 0.636 . . . . 75.34 111.551 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -94.69 -16.39 23.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.118 -0.947 . . . . 74.14 109.678 172.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 m -102.33 145.47 29.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.044 -0.98 . . . . 74.24 111.515 -171.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.483 ' O ' HG22 ' A' ' 14' ' ' VAL . 35.2 p90 -55.33 -42.52 73.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.103 -0.499 . . . . 72.12 110.851 177.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -66.5 -32.51 73.92 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.585 -0.28 . . . . 75.45 111.629 -178.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.438 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 1.1 m-20 -80.49 -34.69 35.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.652 -0.249 . . . . 73.32 111.085 179.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.496 ' CD2' ' HD1' ' A' ' 85' ' ' TYR . 65.8 t80 -60.0 -49.3 78.2 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.705 -0.48 . . . . 75.35 109.705 174.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 10' ' ' PHE . 84.9 t -58.65 -45.09 90.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.818 -0.628 . . . . 50.24 110.668 178.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.35 97.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.412 -0.358 . . . . 54.13 111.421 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.87 -44.32 73.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 120.757 0.313 . . . . 75.25 110.852 -179.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -64.82 -34.43 78.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.518 0.675 . . . . 75.22 109.801 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.449 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 30.4 ttm -71.19 -26.75 63.09 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.184 -0.916 . . . . 72.32 111.231 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -50.87 -48.7 60.17 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.72 0.295 . . . . 73.23 111.414 175.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.9 m -69.67 -33.63 72.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.37 0.605 . . . . 43.0 110.24 177.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.449 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 80.3 t80 -66.96 -30.58 70.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.6 -0.727 . . . . 75.31 110.493 177.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.501 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 31.9 t -71.15 -14.48 62.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.789 -0.641 . . . . 75.34 111.158 -178.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -63.02 -31.8 73.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.329 0.585 . . . . 71.34 109.543 173.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -105.78 13.32 29.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.467 -0.788 . . . . 70.24 110.141 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.633 ' HG ' HG21 ' A' ' 29' ' ' THR . 13.7 tp -124.75 142.51 51.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.169 -0.469 . . . . 64.05 110.061 -176.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.53 154.97 41.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.78 0.324 . . . . 73.44 110.287 173.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.7 mt -65.88 -34.53 70.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.895 -0.593 . . . . 74.42 110.183 178.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.3 -58.82 12.38 Favored Glycine 0 CA--C 1.518 0.27 0 CA-C-N 115.836 -0.62 . . . . 52.33 112.594 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.633 HG21 ' HG ' ' A' ' 25' ' ' LEU . 1.8 t -66.0 -42.5 89.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.474 0.137 . . . . 75.4 111.011 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -51.5 -53.14 40.64 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 111.633 0.235 . . . . 72.21 111.633 176.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.885 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 36.2 ptt180 -71.48 -20.57 62.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.45 0.167 . . . . 75.33 111.301 -175.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -66.68 -24.71 66.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.156 0.503 . . . . 71.51 110.345 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -132.36 39.52 3.38 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.994 -0.743 . . . . 70.34 108.994 176.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.885 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 78.1 tttt -72.42 -69.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.798 -1.092 . . . . 74.25 111.399 -175.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.9 p -93.28 -71.87 0.63 Allowed 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 120.929 -0.308 . . . . 70.41 111.04 -177.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 61.2 m 44.81 -86.78 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.868 0.867 . . . . 73.45 112.818 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.563 ' HB3' HD22 ' A' ' 78' ' ' ASN . 22.8 ptt? -70.96 -26.59 63.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 63.14 111.15 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -75.43 -29.66 59.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.934 0.873 . . . . 74.3 109.635 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -36.35 24.31 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.276 -1.329 . . . . 51.41 111.416 -179.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.511 ' HZ ' ' HE1' ' A' ' 63' ' ' TYR . 14.7 t80 -73.18 -28.67 62.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.117 -0.492 . . . . 74.23 109.952 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.489 ' HD2' ' O ' ' A' ' 40' ' ' PHE . 5.2 mptp? -139.23 100.21 3.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.84 -0.618 . . . . 75.33 110.709 -178.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -64.88 -68.19 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.619 0.723 . . . . 73.05 109.328 175.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -123.6 126.08 45.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.0 -1.0 . . . . 73.3 108.937 176.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.409 ' C ' ' HG2' ' A' ' 45' ' ' GLU . 2.9 p -146.35 -85.92 0.11 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.414 -0.357 . . . . 64.44 111.087 -172.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.415 ' HB2' ' H ' ' A' ' 46' ' ' GLY . 1.5 pm0 43.29 -153.94 0.02 OUTLIER 'General case' 0 C--N 1.346 0.44 0 C-N-CA 123.513 0.725 . . . . 72.23 112.559 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.415 ' H ' ' HB2' ' A' ' 45' ' ' GLU . . . 92.04 -13.44 66.96 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.465 -0.874 . . . . 74.23 111.603 -177.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.425 HD23 ' C ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -87.29 156.22 19.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.909 0.385 . . . . 61.04 110.21 176.303 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -110.72 -178.97 3.62 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.728 -0.669 . . . . 74.11 111.641 -173.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -67.55 -53.23 30.16 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.001 -1.0 . . . . 73.31 111.414 -175.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -85.99 3.06 43.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.414 0.625 . . . . 72.34 109.72 -176.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -81.34 -31.06 33.61 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.914 -0.772 . . . . 74.32 108.914 173.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.602 HD13 ' HG3' ' A' ' 99' ' ' PRO . 0.2 OUTLIER -74.15 85.48 1.86 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.442 -0.799 . . . . 71.44 109.077 177.282 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.42 ' O ' HD21 ' A' ' 57' ' ' LEU . 6.1 p -133.71 -177.46 4.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.757 -0.656 . . . . 62.22 111.354 -174.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -52.66 -43.74 65.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.021 -0.536 . . . . 75.41 110.637 177.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -56.96 -39.05 73.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.84 -0.618 . . . . 64.05 111.247 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -69.98 -51.83 29.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 74.42 110.681 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.42 HD21 ' O ' ' A' ' 53' ' ' THR . 4.3 mm? -59.49 -37.01 77.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.961 -0.563 . . . . 74.11 110.55 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.451 ' O ' HG12 ' A' ' 62' ' ' ILE . 24.6 ttt180 -58.82 -52.71 64.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.489 -0.778 . . . . 74.34 110.582 178.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -71.08 -42.3 69.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 74.14 111.489 -176.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.442 ' HD2' HD22 ' A' ' 79' ' ' LEU . 61.3 t80 -64.92 -37.7 88.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.357 -0.383 . . . . 75.12 110.167 -178.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.5 tp -59.5 -52.8 64.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.883 -0.599 . . . . 73.21 110.061 175.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.451 HG12 ' O ' ' A' ' 58' ' ' ARG . 46.4 mm -59.03 -44.32 91.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.702 -0.681 . . . . 75.05 111.464 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.511 ' HE1' ' HZ ' ' A' ' 40' ' ' PHE . 45.0 t80 -60.57 -43.49 97.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.31 0.576 . . . . 75.32 110.467 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.845 ' HE1' ' HB2' ' A' ' 75' ' ' ALA . 9.2 ttp -69.15 -42.21 76.25 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.464 -0.789 . . . . 72.44 111.331 -177.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.733 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -75.85 -15.79 60.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.459 -0.337 . . . . 71.44 111.876 -177.061 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -99.15 -63.41 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.071 0.463 . . . . 51.43 111.26 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.3 m -75.66 -43.4 47.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.839 -0.618 . . . . 75.14 112.082 -172.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.549 HD11 ' HG3' ' A' ' 64' ' ' MET . 66.1 mt -78.41 0.24 26.5 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.943 -0.303 . . . . 73.11 111.467 -175.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 58.2 m 62.18 28.3 16.99 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.956 -0.565 . . . . 71.33 112.221 171.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.733 ' O ' ' HA ' ' A' ' 65' ' ' LYS . 37.6 m-80 -121.43 151.36 40.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.834 -0.432 . . . . 63.55 109.834 175.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.26 166.67 21.15 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.744 0.307 . . . . 72.43 110.909 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -58.47 -35.07 71.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.073 -0.512 . . . . 73.41 111.184 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.8 m -56.49 -38.45 71.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.854 0.359 . . . . 52.41 110.822 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.7 m -80.42 -43.33 21.14 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.151 0.501 . . . . 65.13 110.198 177.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.845 ' HB2' ' HE1' ' A' ' 64' ' ' MET . . . -59.78 -35.86 75.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.498 -0.774 . . . . 65.12 111.882 -177.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -60.97 -32.96 72.49 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.405 -0.361 . . . . 63.43 111.429 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -68.14 -38.7 82.45 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.237 -0.282 . . . . 74.02 110.237 176.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.563 HD22 ' HB3' ' A' ' 37' ' ' MET . 0.2 OUTLIER -70.43 -24.49 62.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.356 0.598 . . . . 72.52 109.891 179.058 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.442 HD22 ' HD2' ' A' ' 60' ' ' TYR . 87.5 mt -81.49 -33.27 32.03 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.168 0.509 . . . . 52.53 110.307 175.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.8 m -68.37 -23.35 64.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.811 -0.631 . . . . 70.51 111.907 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.8 p -73.46 -37.12 65.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.013 0.435 . . . . 65.14 110.277 175.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.36 -32.39 57.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.971 -0.558 . . . . 71.31 109.713 174.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.516 ' O ' ' HB2' ' A' ' 87' ' ' SER . 2.2 tmtp? -61.2 -30.78 70.63 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 115.885 -0.598 . . . . 74.44 110.348 177.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 51.4 mm -65.64 -38.38 82.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 120.863 0.363 . . . . 71.41 110.171 176.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.496 ' HD1' ' CD2' ' A' ' 13' ' ' PHE . 68.4 t80 -68.84 -49.78 55.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 74.11 110.185 177.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.617 ' O ' HG13 ' A' ' 90' ' ' ILE . 86.7 t -60.19 -46.1 95.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.578 -0.737 . . . . 73.03 110.923 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.619 ' HA ' HD11 ' A' ' 90' ' ' ILE . 0.4 OUTLIER -59.75 -39.27 84.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.088 -0.505 . . . . 75.02 111.743 -179.74 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.87 92.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.279 0.561 . . . . 74.34 110.144 176.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.571 ' HA ' ' HA3' ' A' ' 93' ' ' GLY . . . -71.08 -21.89 62.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.325 -0.852 . . . . 61.43 111.391 178.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.619 HD11 ' HA ' ' A' ' 87' ' ' SER . 97.4 mt -73.51 -41.92 56.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.522 -0.308 . . . . 74.02 111.127 178.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -72.61 -47.58 46.63 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 120.729 -0.388 . . . . 74.53 110.774 -175.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -153.64 67.45 0.76 Allowed 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 123.527 0.517 . . . . 72.23 110.193 177.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.571 ' HA3' ' HA ' ' A' ' 89' ' ' ALA . . . -138.11 -83.98 0.12 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.52 -0.848 . . . . 73.22 112.538 177.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -169.28 -16.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.046 0.45 . . . . 75.11 110.715 -173.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 99.3 mmm -82.3 137.98 34.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.926 -0.579 . . . . 74.33 110.955 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -78.58 -48.94 14.17 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.799 -0.637 . . . . 73.22 109.344 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -148.56 178.15 8.87 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.622 -0.881 . . . . 63.41 108.622 175.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.428 ' HB3' HD12 ' A' ' 90' ' ' ILE . 6.3 p-10 -89.82 146.52 35.53 Favored Pre-proline 0 N--CA 1.441 -0.883 0 N-CA-C 110.003 -0.369 . . . . 75.14 110.003 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.602 ' HG3' HD13 ' A' ' 52' ' ' LEU . 35.8 Cg_endo -65.05 -18.25 61.4 Favored 'Trans proline' 0 N--CA 1.467 -0.085 0 C-N-CA 122.649 2.233 . . . . 74.11 111.874 177.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.441 ' HZ ' ' HB3' ' A' ' 79' ' ' LEU . 76.1 m-85 -76.4 -18.86 58.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.0 -0.545 . . . . 75.15 110.673 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.528 ' HD2' ' C ' ' A' ' 101' ' ' LYS . 0.6 OUTLIER -68.64 -36.98 79.31 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 121.739 0.781 . . . . 73.24 108.997 175.805 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -103.81 6.58 36.75 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.179 -0.919 . . . . 74.25 110.173 -175.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 30.1 t80 . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.431 -0.804 . . . . 73.41 109.862 -177.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 . . . . . 0 N--CA 1.437 -1.091 0 N-CA-C 107.865 -1.161 . . . . 64.22 107.865 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -22.86 66.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.938 0.399 . . . . 70.4 111.746 -176.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.7 t -140.3 152.39 45.82 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.19 -0.459 . . . . 54.21 110.357 175.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.609 ' O ' HG21 ' A' ' 14' ' ' VAL . 92.3 m-85 -65.84 -28.4 68.95 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 109.546 -0.538 . . . . 73.33 109.546 175.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -56.78 -39.64 74.46 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.917 -0.583 . . . . 72.21 110.277 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.92 -38.07 79.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.442 -0.799 . . . . 64.35 110.897 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -70.23 -45.44 66.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.947 -0.57 . . . . 70.14 110.215 177.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.609 HG21 ' O ' ' A' ' 10' ' ' PHE . 96.0 t -60.28 -46.96 94.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.023 -0.535 . . . . 75.25 110.778 178.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.498 ' HA ' ' HB3' ' A' ' 18' ' ' MET . . . -56.66 -33.31 66.24 Favored 'General case' 0 C--N 1.332 -0.169 0 O-C-N 123.416 0.448 . . . . 71.22 111.8 -177.029 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 t -61.23 -46.12 91.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.849 0.357 . . . . 74.43 110.556 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -77.94 -38.45 45.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.124 0.487 . . . . 64.53 110.271 176.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.593 ' SD ' ' HE1' ' A' ' 21' ' ' TYR . 52.4 tpp -57.33 -42.61 82.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.296 -0.865 . . . . 71.21 112.092 -175.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.586 ' HD2' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -62.11 -21.41 64.97 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 111.787 0.291 . . . . 71.54 111.787 -175.622 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.5 m -58.48 -60.24 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.61 -0.268 . . . . 73.53 111.171 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.593 ' HE1' ' SD ' ' A' ' 18' ' ' MET . 1.4 p90 -83.08 -26.23 31.27 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 120.771 -0.372 . . . . 75.14 110.464 -178.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.608 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 49.3 m -68.84 -18.05 64.1 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.01 0.433 . . . . 74.43 111.009 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 19' ' ' LYS . 2.5 tmt_? -64.42 -25.34 67.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.888 -0.597 . . . . 72.21 109.441 176.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -105.77 21.88 16.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.022 -0.535 . . . . 63.3 110.659 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.608 ' HG ' ' HA ' ' A' ' 22' ' ' SER . 66.5 mt -103.16 165.73 10.85 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 109.673 -0.492 . . . . 62.31 109.673 175.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -80.76 165.78 21.6 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.001 -0.545 . . . . 73.45 109.978 172.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.3 mm -59.18 -43.4 89.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.008 -0.542 . . . . 71.33 110.445 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.31 -35.03 91.01 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.9 -0.667 . . . . 51.24 112.415 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.549 HG23 HD12 ' A' ' 25' ' ' LEU . 33.9 m -76.02 -46.38 29.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.785 0.326 . . . . 73.1 110.874 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.441 ' CD1' ' HE2' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -57.85 -49.24 77.35 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.945 -0.391 . . . . 62.21 109.945 176.058 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.617 ' HA ' ' CG ' ' A' ' 34' ' ' LYS . 46.4 ttt180 -67.62 -21.37 65.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.129 -0.487 . . . . 72.33 111.472 -178.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -59.85 -23.07 63.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.034 -0.53 . . . . 75.15 111.077 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -132.16 39.84 3.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.202 0.525 . . . . 73.43 110.698 177.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.617 ' CG ' ' HA ' ' A' ' 31' ' ' ARG . 42.8 mmtt -93.02 -71.02 0.67 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.81 -0.632 . . . . 72.31 111.181 176.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.3 m -72.0 -20.75 61.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.735 -0.666 . . . . 75.42 112.129 -171.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.2 m -54.15 -58.45 7.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.799 0.333 . . . . 71.14 111.444 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 83.8 mtp -67.57 -25.45 65.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.973 0.416 . . . . 54.34 110.964 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.18 -43.86 73.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.904 -0.589 . . . . 74.21 111.423 -174.102 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -81.47 -13.25 58.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.451 -0.34 . . . . 74.12 111.725 -175.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -81.01 4.14 20.68 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.14 0.422 . . . . 73.14 112.14 -176.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.575 ' C ' ' HD3' ' A' ' 41' ' ' LYS . 10.6 tmtt? -88.66 93.64 9.63 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.566 0.698 . . . . 75.11 110.032 -178.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -97.72 -64.9 1.0 Allowed 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.895 -1.048 . . . . 75.25 108.641 164.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -138.19 112.3 8.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.544 -0.753 . . . . 74.11 110.977 178.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.6 p -91.62 79.5 5.45 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.21 -0.663 . . . . 73.31 109.21 172.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -70.43 178.83 2.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.901 -1.045 . . . . 71.45 111.073 -172.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -74.48 84.94 0.74 Allowed Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 116.142 -0.481 . . . . 74.22 112.146 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.564 HD23 ' HB2' ' A' ' 52' ' ' LEU . 9.8 tt -85.45 108.86 18.08 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.431 -0.385 . . . . 74.02 110.459 178.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -82.32 176.85 9.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 73.41 110.563 176.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -58.91 -40.5 84.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.932 -0.576 . . . . 63.44 111.835 -177.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -90.84 8.81 32.99 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.074 0.464 . . . . 72.24 110.808 -177.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -89.98 -24.87 21.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.399 -0.593 . . . . 74.12 109.399 174.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.564 ' HB2' HD23 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -88.34 88.47 7.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.697 -0.853 . . . . 71.54 108.697 175.448 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.46 ' O ' HD23 ' A' ' 57' ' ' LEU . 72.7 p -124.07 177.25 5.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.328 -0.396 . . . . 63.13 111.239 -175.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.56 -37.14 82.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.976 -0.557 . . . . 73.45 109.658 173.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -60.89 -44.33 97.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.577 -0.738 . . . . 71.04 110.149 177.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -59.83 -51.54 69.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.885 -0.598 . . . . 75.22 110.561 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.539 HD12 HD22 ' A' ' 79' ' ' LEU . 4.2 mm? -58.23 -43.15 87.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.885 0.374 . . . . 72.34 110.875 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.434 ' O ' HG12 ' A' ' 62' ' ' ILE . 53.8 ttt180 -64.82 -49.86 68.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.723 -0.671 . . . . 73.22 111.28 -178.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -69.69 -38.69 77.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.305 -0.407 . . . . 72.33 111.037 -176.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -64.94 -37.2 86.86 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.615 -0.513 . . . . 75.11 109.615 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.2 tp -61.27 -52.44 64.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.466 -0.788 . . . . 73.34 110.504 175.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.434 HG12 ' O ' ' A' ' 58' ' ' ARG . 49.5 mm -60.09 -44.37 94.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.776 -0.647 . . . . 74.12 110.984 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -58.65 -45.13 89.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.041 0.448 . . . . 74.13 110.638 178.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.715 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 30.5 ttm -65.08 -49.72 68.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.423 0.63 . . . . 74.14 110.615 -179.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -58.22 -51.05 71.37 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.953 -1.021 . . . . 75.23 111.045 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -81.45 -64.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.809 0.67 . . . . 73.54 112.809 -173.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 62.3 m -73.37 -42.7 61.86 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.833 0.309 . . . . 73.31 111.833 -171.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.459 HD11 ' HA ' ' A' ' 64' ' ' MET . 84.3 mt -84.52 -15.43 45.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.744 0.306 . . . . 70.13 110.558 -179.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 33.0 t 62.34 42.24 9.36 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.525 -0.761 . . . . 73.42 110.957 178.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.715 ' HB2' ' HG2' ' A' ' 64' ' ' MET . 4.1 m-20 -91.66 147.24 23.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.323 -0.399 . . . . 53.51 110.08 174.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.74 166.8 22.87 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.093 -0.503 . . . . 72.55 110.754 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -53.8 -52.98 58.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.079 -0.51 . . . . 63.22 111.555 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.1 m -65.69 -30.57 71.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.886 0.374 . . . . 74.15 111.029 -177.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.5 m -69.35 -40.63 77.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.217 0.532 . . . . 74.13 110.253 178.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.658 ' HA ' ' SD ' ' A' ' 64' ' ' MET . . . -71.01 -42.22 69.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.849 -0.614 . . . . 63.23 110.701 178.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -57.71 -47.3 82.77 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.723 -0.672 . . . . 63.53 111.375 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -67.63 -29.32 68.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.648 0.261 . . . . 73.41 110.961 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -70.71 -49.7 44.17 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 120.967 0.413 . . . . 70.52 110.161 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.539 HD22 HD12 ' A' ' 57' ' ' LEU . 90.3 mt -62.0 -29.99 70.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.833 -0.621 . . . . 75.24 110.68 178.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.531 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 75.7 m -55.1 -47.59 74.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.864 -0.607 . . . . 73.23 111.6 176.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.3 p -61.71 -36.39 80.8 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.144 0.497 . . . . 73.23 110.903 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.414 HG23 ' HE2' ' A' ' 85' ' ' TYR . 65.1 mt -67.76 -52.65 37.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.679 -0.691 . . . . 62.25 110.515 178.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.531 ' HG3' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -62.74 -29.27 70.56 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.525 -0.307 . . . . 64.4 111.218 -178.366 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 80' ' ' SER . 68.3 mt -61.68 -51.18 75.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 121.186 -0.205 . . . . 73.24 111.073 175.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.414 ' HE2' HG23 ' A' ' 82' ' ' ILE . 1.2 p90 -73.24 -34.83 66.09 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 120.4 -0.52 . . . . 73.03 110.557 -176.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.615 ' O ' HG13 ' A' ' 90' ' ' ILE . 77.5 t -63.93 -44.73 98.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.811 -0.44 . . . . 74.32 109.811 175.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.627 ' HA ' HD13 ' A' ' 90' ' ' ILE . 3.2 m -61.62 -37.8 85.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.537 -0.756 . . . . 64.02 111.334 178.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.05 -36.82 84.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.109 0.48 . . . . 75.22 110.188 175.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.2 -22.22 64.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.58 -0.736 . . . . 72.24 111.305 177.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.627 HD13 ' HA ' ' A' ' 87' ' ' SER . 69.1 mt -77.94 -30.6 16.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.004 0.43 . . . . 72.1 110.525 177.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -69.09 -44.51 72.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 71.15 111.152 -176.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -157.38 60.35 0.5 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.28 0.562 . . . . 72.52 110.06 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -138.13 -99.33 0.49 Allowed Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.396 -0.907 . . . . 74.53 112.516 178.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -149.69 -29.86 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.898 0.38 . . . . 73.44 110.9 -173.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 93.4 mmm -62.45 126.3 26.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.49 . . . . 72.32 110.709 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -59.06 -51.85 68.29 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.788 0.804 . . . . 72.44 111.18 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -167.06 158.93 12.69 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.026 -1.443 . . . . 73.14 108.505 -157.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.402 ' OD1' ' HE2' ' A' ' 101' ' ' LYS . 3.9 p-10 -81.36 142.16 50.19 Favored Pre-proline 0 N--CA 1.444 -0.747 0 CA-C-O 121.445 0.64 . . . . 52.33 111.963 -173.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.533 ' HG3' HD12 ' A' ' 52' ' ' LEU . 94.9 Cg_endo -83.68 -2.48 10.4 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 123.42 2.746 . . . . 64.04 110.543 171.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.684 ' HA ' ' HD2' ' A' ' 103' ' ' PHE . 7.4 t80 -94.02 9.1 38.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.307 -1.315 . . . . 74.04 109.764 -178.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.429 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 17.3 mmtt -48.16 -51.68 23.98 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 114.779 -1.1 . . . . 71.22 112.254 -176.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.95 -18.26 37.85 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.283 -0.417 . . . . 74.2 111.508 -175.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.684 ' HD2' ' HA ' ' A' ' 100' ' ' PHE . 99.2 m-85 . . . . . 0 C--N 1.32 -0.686 0 N-CA-C 109.203 -0.665 . . . . 63.44 109.203 176.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptp . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 121.049 0.452 . . . . 61.33 110.78 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -139.76 91.19 2.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.52 0.676 . . . . 73.3 110.515 177.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -136.39 87.72 21.7 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.478 -0.783 . . . . 72.33 110.573 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -65.02 85.9 0.18 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.962 2.441 . . . . 64.01 112.198 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m 59.05 75.14 0.41 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.417 -0.811 . . . . 75.34 111.726 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -87.4 6.96 31.22 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.95 0.881 . . . . 74.33 110.261 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.592 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -107.76 113.55 26.89 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.551 -1.204 . . . . 72.52 111.118 -178.403 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -93.95 -18.65 21.69 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.202 -0.908 . . . . 74.5 110.95 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.8 ' HA ' ' HA2' ' A' ' 46' ' ' GLY . 23.2 t -111.75 152.31 27.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.145 -0.479 . . . . 75.51 111.273 -173.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.503 ' O ' HG21 ' A' ' 14' ' ' VAL . 31.0 p90 -54.78 -41.99 71.2 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.769 -0.651 . . . . 74.42 111.703 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.694 ' HB2' ' HB3' ' A' ' 37' ' ' MET . 3.1 p-80 -72.34 -25.23 61.46 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.01 0.433 . . . . 72.24 110.9 -176.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.592 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 3.9 m-20 -80.02 -37.01 34.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.301 -0.409 . . . . 72.33 110.395 174.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.544 ' CD1' ' HB2' ' A' ' 85' ' ' TYR . 19.5 t80 -62.01 -49.52 75.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.738 -0.664 . . . . 74.35 109.775 178.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.716 HG22 ' HB3' ' A' ' 85' ' ' TYR . 92.0 t -59.46 -46.9 92.4 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.303 0 CA-C-N 115.765 -0.652 . . . . 73.13 110.598 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.58 -33.2 67.93 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.933 0.345 . . . . 55.42 111.933 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.423 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 35.6 t -83.67 -51.12 7.54 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 121.066 -0.254 . . . . 74.14 111.222 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -65.74 -28.15 68.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.677 0.275 . . . . 74.24 110.691 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 50.1 tpp -52.14 -28.32 17.54 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 115.787 -0.642 . . . . 63.44 111.881 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.45 ' HA ' ' OG ' ' A' ' 22' ' ' SER . 22.2 ptmt -50.77 -30.39 13.96 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.821 0.343 . . . . 73.4 111.485 178.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 m -71.45 -24.34 62.0 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.279 0.561 . . . . 74.45 110.683 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -101.72 -33.52 9.82 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.873 -0.603 . . . . 74.42 111.361 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.45 ' OG ' ' HA ' ' A' ' 19' ' ' LYS . 38.1 p -66.79 -24.17 66.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.017 0.436 . . . . 75.23 111.026 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -17.81 64.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.429 0.633 . . . . 71.03 109.817 175.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 -127.31 23.27 6.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.538 -0.755 . . . . 73.13 110.463 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.3 tp -124.18 172.62 8.9 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.179 -1.045 . . . . 74.23 108.179 177.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.44 ' OE2' HG21 ' A' ' 29' ' ' THR . 0.0 OUTLIER -93.16 167.67 11.62 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 109.549 -0.538 . . . . 74.31 109.549 169.746 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.656 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 50.0 mm -77.41 -27.43 15.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 116.3 -0.409 . . . . 73.44 110.764 -173.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.25 -59.22 7.86 Favored Glycine 0 C--N 1.331 0.285 0 CA-C-N 116.079 -0.509 . . . . 72.44 113.543 -175.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.44 HG21 ' OE2' ' A' ' 26' ' ' GLU . 10.3 t -72.65 -41.4 65.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.99 0.395 . . . . 74.12 111.051 -178.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -50.09 -53.67 25.65 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 111.974 0.361 . . . . 73.21 111.974 176.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.656 ' HG2' ' O ' ' A' ' 27' ' ' ILE . 2.1 ptm180 -67.84 -28.92 67.97 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.662 0.268 . . . . 72.12 111.504 -176.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -70.67 -42.59 70.56 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.912 -0.315 . . . . 75.02 111.192 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -77.51 -25.63 50.47 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.647 -0.421 . . . . 74.11 110.396 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -58.88 -49.38 78.0 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.677 -0.692 . . . . 72.24 111.334 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.5 m -67.85 -36.14 79.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.102 0.477 . . . . 62.34 110.936 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.6 m -64.16 -55.68 20.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.655 . . . . 73.51 111.7 -176.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.694 ' HB3' ' HB2' ' A' ' 11' ' ' HIS . 73.0 mtm -60.9 -26.4 67.42 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.733 0.642 . . . . 74.22 112.733 -174.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' A' ' 38' ' ' ARG . 13.6 tpp180 -71.27 -51.33 25.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.88 0.371 . . . . 65.55 111.216 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -79.89 -6.42 57.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.149 0.499 . . . . 75.14 111.08 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.28 4.32 2.32 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.673 -0.694 . . . . 75.11 111.94 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.565 ' HB3' ' HZ3' ' A' ' 41' ' ' LYS . 9.1 mtpm? -77.76 17.96 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.228 0.455 . . . . 75.52 112.228 -176.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.35 -36.3 74.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.707 0.289 . . . . 72.43 110.791 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -83.86 -19.22 35.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.453 -0.34 . . . . 75.41 110.847 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.6 m 61.52 -164.42 0.24 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.751 -0.658 . . . . 63.3 110.945 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 72.1 158.91 0.2 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.369 0.604 . . . . 73.4 111.638 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.8 ' HA2' ' HA ' ' A' ' 9' ' ' SER . . . -89.84 -46.54 4.2 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.792 -0.64 . . . . 74.04 112.803 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.0 tt 72.27 108.61 0.07 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.155 0.582 . . . . 65.23 110.405 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -97.47 -168.96 1.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.744 -0.662 . . . . 75.33 111.533 -176.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.702 ' HE1' ' HB2' ' A' ' 89' ' ' ALA . 56.1 m-85 -57.13 -38.73 73.89 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.456 -0.793 . . . . 51.5 111.546 -177.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -80.05 -20.76 44.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.323 -0.399 . . . . 74.24 111.922 -172.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -86.46 -16.34 37.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.111 0.482 . . . . 73.25 110.466 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.493 ' CD1' ' HG3' ' A' ' 99' ' ' PRO . 1.2 tm? -85.21 97.21 9.78 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.687 -0.688 . . . . 52.23 109.417 178.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.477 ' O ' HD23 ' A' ' 57' ' ' LEU . 40.2 p -120.06 166.78 12.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.349 -0.387 . . . . 71.4 111.38 -177.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.578 ' HB3' ' HB2' ' A' ' 103' ' ' PHE . 2.6 mp0 -62.79 -38.75 91.86 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.129 -0.487 . . . . 71.51 109.925 176.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -67.79 -33.13 74.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.947 -0.569 . . . . 75.25 110.409 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -62.37 -51.0 69.36 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.953 -0.388 . . . . 73.14 109.953 175.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 53' ' ' THR . 4.5 mm? -58.35 -39.26 79.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.976 -0.556 . . . . 72.11 110.569 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 58' ' ' ARG . 28.8 ttt-85 -62.19 -53.79 50.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.8 -0.636 . . . . 64.2 111.128 176.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -63.4 -43.15 98.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 42.52 111.211 -176.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.7 -28.95 62.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.305 -0.407 . . . . 74.23 110.818 -177.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 58.5 tp -58.56 -52.19 66.69 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.21 -0.663 . . . . 71.11 109.21 171.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.411 ' O ' ' HB3' ' A' ' 66' ' ' LYS . 70.8 mt -59.7 -48.99 85.44 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.383 0 CA-C-N 115.204 -0.907 . . . . 72.53 110.535 177.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -55.74 -45.37 78.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.04 0.448 . . . . 74.31 111.663 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.479 ' O ' ' HB2' ' A' ' 68' ' ' LEU . 16.2 ttp -69.81 -40.79 75.71 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.136 0.493 . . . . 73.44 111.474 -176.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.543 ' O ' ' HA ' ' A' ' 69' ' ' CYS . 86.1 tttt -73.91 -40.78 62.89 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.822 -0.626 . . . . 64.32 111.36 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 67.1 tttt -85.41 -64.65 1.12 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.957 -0.565 . . . . 72.12 112.181 -174.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.5 m -74.08 -48.54 29.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.348 -0.387 . . . . 73.12 111.449 -173.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 64' ' ' MET . 89.9 mt -75.56 -26.68 58.18 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.019 -0.363 . . . . 64.01 110.019 178.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 8.5 t 63.91 85.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.423 -0.808 . . . . 74.25 111.169 177.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -139.56 166.54 24.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.532 -0.758 . . . . 71.54 109.997 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.9 162.95 25.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.457 -0.338 . . . . 65.11 110.735 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -59.79 -40.38 88.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.367 -0.379 . . . . 74.11 110.827 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.7 m -62.48 -42.01 99.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.871 0.367 . . . . 73.23 110.581 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.7 m -65.09 -44.76 87.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.955 -0.566 . . . . 74.41 110.394 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.414 ' HA ' ' HE2' ' A' ' 64' ' ' MET . . . -64.81 -49.36 70.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.641 -0.709 . . . . 74.12 111.577 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -61.83 -39.09 90.58 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.929 0.395 . . . . 74.42 110.557 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -65.08 -43.91 90.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 75.24 111.567 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -69.21 -37.03 77.88 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.038 0.447 . . . . 70.05 110.938 -178.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.406 HD23 HD13 ' A' ' 57' ' ' LEU . 50.5 mt -69.58 -37.67 77.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.319 -0.401 . . . . 64.44 111.017 177.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.543 ' O ' HG12 ' A' ' 84' ' ' ILE . 13.0 p -71.85 -14.24 61.9 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.965 -0.294 . . . . 70.21 110.602 177.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.572 HG23 HG13 ' A' ' 14' ' ' VAL . 42.3 m -71.64 -40.52 69.64 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.381 -0.6 . . . . 75.53 109.381 173.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.544 HG22 ' HE2' ' A' ' 85' ' ' TYR . 94.7 mt -67.32 -40.41 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.702 -0.681 . . . . 73.41 109.205 172.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 87' ' ' SER . 14.0 tmtt? -55.44 -29.84 59.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.361 -0.836 . . . . 73.43 110.545 177.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 80' ' ' SER . 34.0 mm -57.04 -55.49 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.66 -0.245 . . . . 75.24 111.555 177.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.716 ' HB3' HG22 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -71.77 -33.16 68.39 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 120.488 -0.485 . . . . 72.34 109.909 -176.559 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' ' 90' ' ' ILE . 74.6 t -59.92 -51.01 77.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.927 -0.579 . . . . 75.11 109.858 175.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.488 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 0.5 OUTLIER -62.62 -36.59 83.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.399 -0.819 . . . . 71.24 111.649 179.629 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.74 -43.42 98.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.18 0.514 . . . . 74.33 110.129 174.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.702 ' HB2' ' HE1' ' A' ' 49' ' ' PHE . . . -67.59 -22.58 65.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.435 -0.802 . . . . 63.15 111.085 177.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 86' ' ' VAL . 91.9 mt -81.4 -43.28 20.16 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-O 121.079 0.466 . . . . 73.22 110.781 175.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -68.54 -44.4 74.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.847 -0.615 . . . . 72.24 112.029 -172.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -139.29 19.08 2.58 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.798 0.332 . . . . 72.02 111.165 -177.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -105.89 -111.62 3.61 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.314 -0.946 . . . . 54.25 112.63 -177.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.12 -3.34 0.76 Allowed 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 120.691 0.281 . . . . 74.34 111.614 -175.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.51 ' SD ' HG13 ' A' ' 86' ' ' VAL . 7.2 ttt -89.96 139.49 30.55 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.5 -0.555 . . . . 73.44 109.5 -178.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -91.13 -45.58 8.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.178 0.513 . . . . 74.21 110.988 -173.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -133.89 149.12 51.31 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.88 -0.6 . . . . 70.43 110.555 -175.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -86.6 151.36 52.86 Favored Pre-proline 0 N--CA 1.446 -0.662 0 CA-C-N 115.796 -0.638 . . . . 73.32 109.781 176.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.493 ' HG3' ' CD1' ' A' ' 52' ' ' LEU . 28.7 Cg_endo -61.8 -35.49 78.72 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.619 2.213 . . . . 74.13 112.162 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -70.43 -12.58 61.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.219 -0.446 . . . . 73.3 111.989 -176.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -72.46 -39.83 67.45 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 110.015 -0.365 . . . . 71.03 110.015 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -93.52 -30.6 14.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.3 0.572 . . . . 74.03 110.783 176.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.578 ' HB2' ' HB3' ' A' ' 54' ' ' GLU . 65.5 t80 -76.42 -35.78 58.38 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.491 -0.777 . . . . 60.4 111.224 -177.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -99.66 -41.35 2.94 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.544 -0.836 . . . . 73.03 112.878 -176.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -107.61 94.44 5.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.999 0.399 . . . . 54.25 111.813 -175.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -77.66 126.32 30.69 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.016 -1.105 . . . . 70.22 108.016 168.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 60.8 m80 -57.31 -43.44 83.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.178 -0.464 . . . . 65.04 111.553 -172.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 26.3 t60 69.64 -61.21 0.45 Allowed 'General case' 0 N--CA 1.47 0.532 0 O-C-N 123.896 0.747 . . . . 74.41 110.965 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -116.28 117.2 29.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.259 -0.428 . . . . 75.21 110.298 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -136.56 79.81 1.78 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.903 -0.589 . . . . 75.52 109.419 175.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.428 ' O ' ' HB3' ' A' ' 112' ' ' HIS . 9.7 t60 55.19 -102.86 0.16 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.345 -0.843 . . . . 65.33 108.807 -172.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.428 ' HB3' ' O ' ' A' ' 111' ' ' HIS . 12.8 p80 . . . . . 0 C--O 1.245 0.83 0 C-N-CA 124.017 0.927 . . . . 74.33 109.072 170.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.8 tpp . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 121.325 0.583 . . . . 73.1 110.431 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -136.2 116.73 13.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.573 -0.74 . . . . 73.1 109.915 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -152.87 144.27 16.26 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 108.538 -0.912 . . . . 71.44 108.538 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -48.35 -32.73 20.71 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.746 2.297 . . . . 43.33 112.919 177.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t 57.79 44.4 20.32 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.834 0.826 . . . . 74.33 109.184 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -84.77 11.35 9.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.033 -0.985 . . . . 72.04 110.947 -173.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -80.49 120.08 24.0 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.109 -0.951 . . . . 71.4 109.589 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.696 ' HE3' ' HE1' ' A' ' 43' ' ' TYR . 49.3 mtmt -89.21 9.91 24.0 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.82 -0.627 . . . . 62.11 112.553 -171.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.2 p -147.84 151.01 35.23 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 116.026 -0.534 . . . . 73.32 110.049 171.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 14' ' ' VAL . 65.8 m-85 -63.42 -27.91 69.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.36 -0.382 . . . . 71.54 110.011 175.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -65.02 -41.22 95.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.943 -0.571 . . . . 75.21 110.062 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -78.39 -35.26 47.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.445 -0.798 . . . . 74.33 110.07 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -62.64 -38.92 92.17 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.304 -0.862 . . . . 55.42 110.851 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.625 HG12 ' HB ' ' A' ' 81' ' ' THR . 32.7 t -54.55 -40.34 49.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.19 -0.459 . . . . 73.14 111.527 178.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.28 -35.64 74.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.444 -0.344 . . . . 62.44 111.294 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.0 t -71.41 -40.65 70.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.391 -0.368 . . . . 72.34 110.483 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -72.86 -39.86 66.13 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.839 -0.43 . . . . 73.4 109.839 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 21' ' ' TYR . 44.8 tpp -53.29 -49.48 66.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.544 -0.753 . . . . 72.01 110.151 175.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -51.0 -36.01 36.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.127 -0.942 . . . . 74.21 111.75 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.7 m -54.06 -52.92 59.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.879 -0.601 . . . . 63.01 111.804 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 18' ' ' MET . 20.5 p90 -93.9 -8.79 39.23 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.891 -0.324 . . . . 75.43 111.6 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.0 m -70.67 -8.55 52.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.028 0.442 . . . . 65.34 110.594 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.463 ' O ' ' HD3' ' A' ' 23' ' ' ARG . 4.1 tmt_? -55.49 -28.65 55.84 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.776 -0.647 . . . . 73.11 110.555 176.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -81.22 -13.14 58.84 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.015 0.436 . . . . 71.3 110.933 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.0 mp -93.03 153.74 18.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.91 -0.586 . . . . 71.32 110.178 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.89 155.48 40.76 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 115.649 -0.705 . . . . 73.43 109.49 174.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.7 mt -59.44 -35.12 56.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.093 0.473 . . . . 74.35 109.858 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.29 -36.56 83.76 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.541 -0.754 . . . . 74.2 112.89 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.9 m -79.12 -46.15 18.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.075 0.438 . . . . 64.53 110.472 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -58.15 -43.85 87.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.665 -0.698 . . . . 75.32 112.432 -177.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -61.26 -20.28 62.67 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.338 0.495 . . . . 72.42 112.338 -176.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -54.69 -50.86 67.25 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 111.91 0.337 . . . . 74.3 111.91 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.591 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 76.9 t60 -110.31 -0.88 17.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.029 0.442 . . . . 75.05 110.721 -174.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -66.98 -51.88 49.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.197 0.522 . . . . 72.11 111.36 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.38 15.79 6.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.856 -0.611 . . . . 75.24 112.615 -172.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.591 ' SG ' ' HA ' ' A' ' 33' ' ' HIS . 68.7 m -77.98 -66.92 0.78 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.803 0.335 . . . . 75.02 111.257 -178.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -65.63 -30.44 71.16 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.148 -0.478 . . . . 74.01 111.647 -174.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.08 -36.56 77.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.159 -0.473 . . . . 71.21 112.016 -178.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -75.13 -48.06 25.57 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 120.968 0.413 . . . . 74.54 110.783 -177.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -72.33 -21.06 61.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.822 -0.626 . . . . 74.44 111.027 -176.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 58.4 mttp 67.42 72.36 0.34 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.296 -0.866 . . . . 75.43 110.176 -174.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.5 122.28 20.16 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.551 -0.75 . . . . 72.24 110.273 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.696 ' HE1' ' HE3' ' A' ' 8' ' ' LYS . 63.4 m-85 -125.36 135.98 52.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.069 0.462 . . . . 74.24 110.748 178.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.2 m -141.65 92.83 2.5 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.711 -0.677 . . . . 74.44 109.307 178.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.15 46.61 1.33 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.674 0.75 . . . . 75.23 109.596 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 176.66 -127.2 1.19 Allowed Glycine 0 N--CA 1.439 -1.164 0 CA-C-N 115.089 -0.959 . . . . 75.03 110.848 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.505 HD21 ' HB3' ' A' ' 51' ' ' GLU . 3.0 tm? 66.54 119.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.939 0.876 . . . . 73.42 110.078 -176.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.47 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 27.2 mm-40 -111.39 167.75 10.06 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.504 -0.771 . . . . 72.22 110.003 -174.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.528 ' O ' ' HE3' ' A' ' 95' ' ' MET . 44.9 p90 -62.94 -38.51 91.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.592 -0.276 . . . . 74.32 111.005 -177.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -92.42 6.81 45.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.064 0.459 . . . . 74.53 110.56 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.505 ' HB3' HD21 ' A' ' 47' ' ' LEU . 11.3 tt0 -94.16 -28.24 15.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.012 0.434 . . . . 75.21 110.359 178.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.648 ' HG ' HG21 ' A' ' 86' ' ' VAL . 1.0 OUTLIER -78.97 84.28 5.01 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.973 -0.751 . . . . 75.01 108.973 177.272 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.517 ' O ' HD23 ' A' ' 57' ' ' LEU . 25.6 p -128.93 -175.76 3.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.697 -0.683 . . . . 71.31 111.221 -175.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -57.64 -40.83 80.16 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.236 -0.438 . . . . 71.41 110.455 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.35 -44.77 95.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.794 -0.639 . . . . 72.13 111.084 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -64.16 -45.91 86.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 75.35 110.355 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 53' ' ' THR . 4.3 mm? -60.15 -45.86 91.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 71.12 110.828 178.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -60.9 -48.27 82.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 73.44 111.198 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -67.1 -43.72 81.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.238 -0.437 . . . . 65.31 111.222 -177.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -69.88 -33.54 72.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 75.22 110.506 -177.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.6 tp -59.24 -49.27 78.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.914 -0.584 . . . . 62.43 110.444 175.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.2 mt -59.83 -44.66 94.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.707 -0.679 . . . . 64.12 110.603 177.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -60.48 -37.14 80.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.229 0.537 . . . . 74.51 110.524 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.494 ' O ' ' HB2' ' A' ' 68' ' ' LEU . 6.8 tpp -65.69 -40.21 92.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.617 -0.72 . . . . 73.24 110.859 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 69' ' ' CYS . 8.6 tmtt? -82.13 -36.26 27.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.848 -0.615 . . . . 74.11 110.939 -176.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -81.79 -64.24 1.22 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.384 -0.371 . . . . 71.03 111.532 -177.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.5 m -77.63 -48.83 15.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.256 -0.429 . . . . 72.15 111.354 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 64' ' ' MET . 77.8 mt -78.1 -20.5 52.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.346 -0.388 . . . . 71.31 110.415 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 60.2 m 61.56 31.68 18.8 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.636 -0.711 . . . . 74.31 112.032 174.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.99 154.08 17.85 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.817 -0.438 . . . . 54.32 109.817 175.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.69 154.0 38.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.319 -0.401 . . . . 53.41 110.303 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.429 ' HA ' ' HB1' ' A' ' 75' ' ' ALA . 6.4 p-10 -59.85 -28.81 67.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.461 -0.336 . . . . 75.41 111.655 -177.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.0 m -61.11 -35.51 77.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.794 0.331 . . . . 72.33 110.797 176.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.2 m -85.04 -43.18 14.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 60.11 110.246 177.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.429 ' HB1' ' HA ' ' A' ' 72' ' ' ASP . . . -55.22 -45.04 75.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.654 -0.703 . . . . 43.3 111.606 -178.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.454 ' HA ' ' OE1' ' A' ' 76' ' ' GLN . 12.7 mm-40 -65.05 -33.16 75.37 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 116.224 -0.444 . . . . 73.44 111.472 -178.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -72.52 -38.56 68.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.605 0.24 . . . . 74.15 110.883 176.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -60.15 -40.06 88.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.35 0.595 . . . . 72.23 110.226 176.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 92.9 mt -75.07 -37.22 61.69 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.522 -0.763 . . . . 72.04 110.771 177.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.411 ' O ' HG13 ' A' ' 84' ' ' ILE . 33.4 t -63.14 -35.48 80.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.504 . . . . 63.51 111.492 -178.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.625 ' HB ' HG12 ' A' ' 14' ' ' VAL . 11.3 p -66.08 -32.34 73.75 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.474 -0.49 . . . . 73.3 110.766 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.8 mt -70.75 -40.09 76.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.032 -0.729 . . . . 75.21 109.032 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.479 ' HE2' ' OD2' ' A' ' 98' ' ' ASP . 11.9 tmtt? -56.4 -38.62 71.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.525 -1.216 . . . . 73.45 110.826 178.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 80' ' ' SER . 82.3 mt -59.72 -42.6 89.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.682 0.277 . . . . 65.24 110.971 178.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.403 ' HB2' HG23 ' A' ' 14' ' ' VAL . 91.1 t80 -68.81 -46.55 68.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.012 0.434 . . . . 72.14 110.526 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.648 HG21 ' HG ' ' A' ' 52' ' ' LEU . 84.0 t -61.91 -46.08 97.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.79 -0.641 . . . . 53.4 110.974 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.413 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 1.6 m -63.29 -37.02 85.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.793 -0.64 . . . . 73.11 111.485 178.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.89 -35.83 80.9 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.275 0.559 . . . . 63.24 110.144 175.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.01 -22.01 66.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.488 -0.778 . . . . 74.44 111.287 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.709 HG12 ' HB3' ' A' ' 95' ' ' MET . 62.0 mt -76.89 -32.82 20.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.903 0.382 . . . . 74.02 110.576 177.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -67.44 -44.05 79.66 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.156 -0.475 . . . . 54.14 111.473 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -160.97 57.43 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.085 -0.507 . . . . 71.34 110.04 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -142.68 -99.4 0.32 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 119.962 -1.113 . . . . 75.34 113.541 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.63 -26.06 0.69 Allowed 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 120.619 0.247 . . . . 74.45 111.594 -170.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.709 ' HB3' HG12 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -84.75 172.25 11.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.367 -0.378 . . . . 63.52 110.297 -176.433 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.465 ' HA ' HG21 ' A' ' 90' ' ' ILE . 30.4 tt0 -152.0 -43.11 0.11 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.023 0.439 . . . . 71.44 110.966 -175.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -108.37 115.04 29.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.893 -0.594 . . . . 63.23 110.793 -173.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.479 ' OD2' ' HE2' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -61.23 140.93 94.33 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 120.782 0.325 . . . . 71.24 111.13 177.614 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -75.14 -31.82 5.72 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.432 2.088 . . . . 54.13 112.108 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.769 ' HA ' ' HB3' ' A' ' 103' ' ' PHE . 21.1 m-85 -71.98 -10.84 60.34 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.237 -0.438 . . . . 74.15 111.504 -177.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.19 -35.75 76.59 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 109.497 -0.557 . . . . 71.5 109.497 176.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -96.75 -25.18 15.61 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.155 -0.475 . . . . 71.13 110.559 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.769 ' HB3' ' HA ' ' A' ' 100' ' ' PHE . 67.5 t80 -68.07 -41.41 81.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.384 -0.825 . . . . 75.53 110.767 -178.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.9 -28.42 62.74 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.707 -0.759 . . . . 74.53 112.026 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.9 tp 70.8 -4.61 1.66 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.371 0.668 . . . . 75.02 111.766 177.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 69.09 136.33 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.431 0.634 . . . . 74.0 110.876 -175.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -107.25 -4.38 18.78 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.034 -0.53 . . . . 72.22 109.971 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -99.83 174.49 6.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.709 -0.678 . . . . 75.14 110.09 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -123.3 111.37 16.34 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.673 -0.491 . . . . 72.44 109.673 173.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -106.89 124.43 49.6 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.662 -0.699 . . . . 70.23 109.808 -176.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -73.24 115.55 12.72 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.419 -0.586 . . . . 63.14 109.419 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 . . . . . 0 C--O 1.246 0.916 0 CA-C-N 115.618 -0.719 . . . . 61.15 109.771 -174.717 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 ptp . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 110.127 -0.323 . . . . 73.15 110.127 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -120.56 -55.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 70.22 112.047 -171.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.41 ' CG ' ' HD2' ' A' ' 4' ' ' PRO . 27.9 t-20 -147.42 151.49 40.11 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.283 -0.417 . . . . 72.34 110.687 -168.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.41 ' HD2' ' CG ' ' A' ' 3' ' ' ASN . 70.4 Cg_exo -40.46 -33.42 0.94 Allowed 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 123.794 2.996 . . . . 61.25 113.26 171.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 t 67.3 60.71 0.49 Allowed 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.801 -0.636 . . . . 64.5 110.956 173.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -90.01 6.37 42.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.506 0.67 . . . . 72.32 110.435 175.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.555 ' HB2' ' HB3' ' A' ' 12' ' ' ASP . 3.5 p90 -121.3 117.77 27.85 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.121 -0.945 . . . . 74.42 110.943 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -102.03 -13.31 17.59 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.33 -0.85 . . . . 74.21 109.758 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.453 ' HB2' ' HB2' ' A' ' 12' ' ' ASP . 50.3 m -72.83 140.4 47.6 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.476 -1.238 . . . . 43.15 111.499 -174.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -52.91 -57.16 11.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.303 -0.862 . . . . 75.44 110.427 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 42' ' ' GLU . 15.7 p-80 -59.9 -25.36 65.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.529 -0.76 . . . . 74.14 111.891 -178.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.555 ' HB3' ' HB2' ' A' ' 7' ' ' PHE . 4.0 m-20 -81.03 -50.21 9.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.385 -0.371 . . . . 71.41 111.144 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -62.46 -43.27 99.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 63.01 110.46 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.733 HG12 ' HB ' ' A' ' 81' ' ' THR . 88.9 t -65.74 -39.37 84.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 64.4 110.957 -178.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.63 84.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.36 . . . . 60.45 111.19 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.4 t -74.94 -43.21 55.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.048 -0.524 . . . . 61.34 110.511 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -69.04 -37.97 78.88 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.394 -0.366 . . . . 73.23 111.261 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 40.8 tpp -61.74 -30.19 70.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.431 . . . . 74.45 110.51 -178.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -57.24 -38.48 73.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.923 -0.58 . . . . 65.21 110.817 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.9 m -82.62 -30.82 29.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.967 -0.561 . . . . 62.0 110.468 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -65.48 -17.33 64.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.836 -0.62 . . . . 74.4 110.392 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.497 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 42.3 t -61.55 -12.4 15.25 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.938 -0.574 . . . . 73.43 111.856 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -64.63 -17.3 63.9 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.851 0.358 . . . . 72.5 110.924 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 24' ' ' ARG . 9.3 ptm180 -131.46 19.49 4.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.247 -0.433 . . . . 74.45 110.416 175.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.573 ' HG ' HG23 ' A' ' 29' ' ' THR . 15.2 tp -137.24 121.7 18.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.088 -0.506 . . . . 72.43 110.159 -177.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -63.76 156.99 25.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.929 0.395 . . . . 71.44 111.053 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.5 mm -62.86 -37.73 79.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.702 -0.681 . . . . 73.3 110.908 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.52 -50.2 61.34 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 121.013 -0.613 . . . . 72.45 112.596 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.573 HG23 ' HG ' ' A' ' 25' ' ' LEU . 1.8 t -77.71 -41.49 37.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.819 -0.224 . . . . 75.12 110.872 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -49.98 -52.72 31.55 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 122.479 0.312 . . . . 73.53 111.054 176.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -69.78 -32.51 71.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.926 -0.579 . . . . 72.33 111.605 -177.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -71.43 -4.88 28.89 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 120.918 0.389 . . . . 70.52 111.416 -174.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -143.77 30.88 1.31 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.317 0.58 . . . . 72.21 109.719 171.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -95.71 -73.09 0.6 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.395 -0.821 . . . . 45.54 110.543 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' A' ' 39' ' ' LYS . 17.3 m -74.66 -15.99 60.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.396 -0.82 . . . . 65.34 111.605 -174.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 69.0 m -45.87 -56.16 5.76 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.337 0.398 . . . . 54.21 112.007 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.434 ' HB3' ' HB2' ' A' ' 11' ' ' HIS . 66.9 mtm -55.18 -52.88 61.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.327 -0.851 . . . . 73.13 111.982 -176.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -77.65 -40.54 41.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.597 0.592 . . . . 72.32 112.597 -174.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -65.42 -59.26 4.2 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 112.161 0.43 . . . . 73.14 112.161 -171.322 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -65.14 -48.89 71.97 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.886 -0.326 . . . . 74.35 110.93 -175.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.562 ' HG2' ' HB2' ' A' ' 43' ' ' TYR . 41.1 ttmt 179.58 102.45 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.747 -0.661 . . . . 74.2 109.604 -175.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 11' ' ' HIS . 4.2 pt-20 -59.94 -53.96 51.68 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.826 -0.624 . . . . 74.32 111.443 -179.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.562 ' HB2' ' HG2' ' A' ' 41' ' ' LYS . 10.1 t80 59.58 -161.83 0.26 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.83 0.347 . . . . 74.12 111.429 168.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 55.9 m 77.17 -73.98 0.08 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.029 0.931 . . . . 74.13 112.046 177.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 64.55 -75.32 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.55 0.531 . . . . 74.45 111.258 -175.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -142.61 49.22 0.74 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.988 -0.625 . . . . 53.42 112.4 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.64 129.33 39.37 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.443 -0.577 . . . . 72.1 109.443 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -95.95 173.47 7.42 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.3 0.571 . . . . 75.44 111.795 -173.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -58.97 -30.26 67.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.249 -0.887 . . . . 74.31 111.427 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -64.78 -29.29 70.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.38 -0.827 . . . . 70.3 111.05 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -87.08 -22.66 25.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.961 0.41 . . . . 73.02 110.83 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.81 90.56 7.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.1 -0.5 . . . . 75.42 110.212 -177.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.7 p -129.13 -179.88 5.38 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.067 -0.515 . . . . 72.13 111.225 -177.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -61.22 -42.05 97.92 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.978 -0.749 . . . . 73.42 108.978 171.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.99 -41.9 93.04 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.149 -0.932 . . . . 73.3 111.054 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.482 ' HD2' HD22 ' A' ' 57' ' ' LEU . 70.9 t80 -57.92 -51.62 68.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.97 0.414 . . . . 74.21 110.375 178.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.482 HD22 ' HD2' ' A' ' 56' ' ' PHE . 4.5 mm? -62.45 -40.59 97.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.654 -0.703 . . . . 73.23 111.142 179.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -43.97 81.48 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.636 -0.711 . . . . 74.15 111.318 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -71.9 -36.71 70.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.231 -0.44 . . . . 75.53 110.971 -177.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -61.64 -38.62 88.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.045 0.45 . . . . 74.4 110.04 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.682 HD11 ' HA ' ' A' ' 72' ' ' ASP . 30.6 tp -65.59 -47.24 76.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.785 -0.643 . . . . 63.34 110.763 176.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 78.0 mt -57.23 -45.76 84.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.88 -0.6 . . . . 74.11 110.6 176.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -61.88 -39.21 91.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.281 0.562 . . . . 73.44 110.139 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.575 ' HG2' ' HB2' ' A' ' 75' ' ' ALA . 24.8 tpp -58.99 -43.83 91.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.37 -0.832 . . . . 71.21 110.728 176.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -75.87 -40.86 53.78 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.955 -1.021 . . . . 64.2 111.363 -175.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -81.11 -63.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.147 0.498 . . . . 75.03 111.859 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.5 m -78.98 -33.66 44.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.885 -0.598 . . . . 71.03 112.173 -170.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.452 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 88.5 mt -93.38 -89.08 0.21 Allowed 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.212 -0.595 . . . . 65.21 111.934 -175.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 68' ' ' LEU . 14.9 m 179.07 -42.21 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.768 0.318 . . . . 74.33 111.292 -170.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.528 ' HB3' ' HB ' ' A' ' 74' ' ' THR . 38.0 m-80 -69.85 152.43 44.55 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.002 -0.544 . . . . 72.13 112.092 -168.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -98.06 -170.69 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.511 -0.768 . . . . 71.25 111.302 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.682 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -52.49 -67.55 0.24 Allowed 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.06 0.763 . . . . 71.51 113.06 -176.078 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.536 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 24.2 t -57.71 -40.45 79.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.634 0.254 . . . . 75.41 111.14 -177.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.528 ' HB ' ' HB3' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -58.91 -42.96 90.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.147 0.499 . . . . 62.45 110.768 179.62 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.575 ' HB2' ' HG2' ' A' ' 64' ' ' MET . . . -71.29 -36.96 71.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.026 -0.534 . . . . 74.13 111.026 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -60.04 -38.01 81.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.634 -0.257 . . . . 72.34 110.937 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 73' ' ' SER . 33.0 mmt180 -59.55 -39.86 85.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.32 0.581 . . . . 71.1 110.509 175.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -78.17 -39.07 41.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.499 -0.773 . . . . 74.2 111.618 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 36.2 mt -63.55 -22.85 67.12 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 111.845 0.313 . . . . 72.32 111.845 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.466 ' O ' HG12 ' A' ' 84' ' ' ILE . 49.7 m -52.67 -28.17 20.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.299 -0.41 . . . . 65.22 111.774 174.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.733 ' HB ' HG12 ' A' ' 14' ' ' VAL . 51.9 p -63.44 -54.74 31.83 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.988 0.423 . . . . 74.34 111.038 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 55.0 mt -59.92 -38.65 77.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.791 -0.64 . . . . 73.51 110.555 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.414 ' HD2' ' HG ' ' A' ' 87' ' ' SER . 50.0 tptt -55.29 -41.28 72.08 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 115.671 -0.695 . . . . 74.0 111.177 177.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 80' ' ' SER . 47.0 mm -59.87 -47.11 92.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.594 0.235 . . . . 73.35 111.215 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -70.13 -48.53 57.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.971 0.415 . . . . 75.0 110.692 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.519 ' O ' HG13 ' A' ' 90' ' ' ILE . 71.7 t -61.0 -41.67 90.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.85 -0.614 . . . . 72.24 110.306 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.414 ' HG ' ' HD2' ' A' ' 83' ' ' LYS . 4.3 m -57.08 -42.22 80.29 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.913 -0.585 . . . . 51.1 111.695 178.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.94 93.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.208 0.528 . . . . 62.43 110.7 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.404 ' HB1' ' HB3' ' A' ' 94' ' ' TYR . . . -70.84 -35.32 72.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.61 -0.723 . . . . 72.52 111.134 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 86' ' ' VAL . 78.0 mt -68.52 -40.01 81.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.863 0.363 . . . . 75.3 110.397 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -61.53 -38.29 86.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.95 -0.568 . . . . 71.22 110.885 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -77.99 -41.35 36.25 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.808 -0.357 . . . . 74.31 110.447 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 121.16 17.12 4.14 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.357 -0.925 . . . . 71.21 113.175 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.404 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 40.6 t80 -79.07 -39.82 32.85 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.959 -0.756 . . . . 72.41 108.959 175.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 75.5 mmm -98.82 116.5 31.2 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.382 -0.826 . . . . 64.34 108.802 171.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -82.58 -31.17 29.13 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.11 0.481 . . . . 72.33 111.524 -171.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -127.55 135.53 50.46 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.959 -0.564 . . . . 73.24 111.073 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.412 ' OD1' ' HD2' ' A' ' 99' ' ' PRO . 0.4 OUTLIER -67.07 141.47 96.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 61.31 110.28 172.277 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.412 ' HD2' ' OD1' ' A' ' 98' ' ' ASP . 58.4 Cg_endo -74.29 -29.04 9.97 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.209 1.94 . . . . 74.54 111.518 175.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.763 ' HA ' ' HD1' ' A' ' 103' ' ' PHE . 93.4 m-85 -86.1 -8.79 57.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.699 -0.682 . . . . 74.45 111.104 -178.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.58 -30.12 70.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.899 -0.592 . . . . 75.24 110.974 -177.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -99.46 10.11 41.99 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.113 0.412 . . . . 74.54 112.113 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.763 ' HD1' ' HA ' ' A' ' 100' ' ' PHE . 30.8 m-85 -82.38 -4.73 57.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.373 0.606 . . . . 63.01 109.774 172.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 139.58 -99.29 0.26 Allowed Glycine 0 N--CA 1.443 -0.876 0 N-CA-C 110.33 -1.108 . . . . 72.43 110.33 -177.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 51.5 tp 62.15 -82.2 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 123.481 0.713 . . . . 72.44 111.915 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -170.74 92.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.456 -0.572 . . . . 55.41 109.456 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.436 ' C ' ' H ' ' A' ' 109' ' ' HIS . 16.5 m80 -84.58 31.09 0.53 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.089 0.471 . . . . 74.25 111.0 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -80.89 19.02 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.489 -0.778 . . . . 74.34 109.751 178.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . 0.436 ' H ' ' C ' ' A' ' 107' ' ' HIS . 12.1 m-70 66.25 -84.99 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 115.535 -0.757 . . . . 75.43 109.946 -174.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -153.03 -80.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.019 0.438 . . . . 75.02 110.032 175.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -163.17 -47.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.951 -0.568 . . . . 73.33 109.636 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.219 -0.896 . . . . 73.42 109.364 179.876 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 120.483 0.182 . . . . 72.13 110.844 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -154.1 167.72 28.87 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.744 -0.465 . . . . 74.32 109.744 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 58.0 t30 70.27 83.82 0.15 Allowed Pre-proline 0 N--CA 1.466 0.34 0 CA-C-O 121.418 0.627 . . . . 72.33 110.679 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -85.0 150.92 10.97 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.948 2.432 . . . . 74.4 113.367 -175.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 t 60.69 21.7 11.64 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.449 -0.796 . . . . 73.14 111.284 176.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -133.09 10.29 4.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.546 0.688 . . . . 71.1 109.952 -177.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.499 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . 72.2 m-85 -60.36 148.03 38.58 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.029 -0.987 . . . . 71.42 111.622 -174.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.696 ' HD3' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -91.06 -22.26 20.83 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.649 -1.16 . . . . 71.32 112.2 -170.619 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.704 ' HB2' ' HB2' ' A' ' 12' ' ' ASP . 20.1 m -123.86 163.52 21.08 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.268 -0.424 . . . . 60.12 111.751 -174.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.491 ' HE1' HD23 ' A' ' 47' ' ' LEU . 18.0 m-85 -68.37 -54.85 14.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.677 -0.692 . . . . 73.35 109.84 -176.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.487 ' HB3' ' CD ' ' A' ' 42' ' ' GLU . 68.3 t60 -71.8 -22.22 61.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.399 -0.818 . . . . 75.41 109.834 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.704 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 38.8 t70 -65.18 -46.59 80.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.574 -0.739 . . . . 71.31 109.583 176.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.526 ' HD1' ' HB2' ' A' ' 85' ' ' TYR . 25.8 t80 -66.01 -44.35 85.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.599 -0.728 . . . . 73.42 109.697 175.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.583 HG22 ' HB3' ' A' ' 85' ' ' TYR . 58.0 t -56.39 -48.78 79.39 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-N 115.57 -0.741 . . . . 62.53 111.561 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.84 -47.41 84.95 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.736 0.273 . . . . 71.01 111.736 -174.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.8 t -64.27 -41.88 96.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.432 -0.349 . . . . 55.22 110.995 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -71.76 -44.29 64.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.22 -0.445 . . . . 63.01 110.398 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.827 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 31.9 ttm -68.06 -28.29 67.25 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.855 -0.611 . . . . 73.52 110.952 -177.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -52.3 -42.66 63.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 73.02 110.211 175.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.7 m -85.81 -40.56 15.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.387 0.613 . . . . 75.32 110.459 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.827 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 73.5 t80 -63.42 -16.53 60.82 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.227 -0.897 . . . . 75.14 111.912 -177.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.2 p -62.75 -18.38 62.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.525 -0.307 . . . . 73.54 111.394 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -69.61 -10.84 59.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.099 0.476 . . . . 74.31 111.319 177.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -109.52 2.61 20.55 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.153 -0.476 . . . . 75.51 110.02 176.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.415 ' HG ' HG22 ' A' ' 29' ' ' THR . 1.8 mp -120.27 132.82 55.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.719 -0.673 . . . . 74.53 111.701 -175.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -76.83 160.8 28.96 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.13 -0.693 . . . . 73.55 109.13 169.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.9 mm -64.71 -35.89 76.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.729 -0.214 . . . . 74.44 110.596 -177.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.503 ' HA2' ' NE ' ' A' ' 31' ' ' ARG . . . -55.91 -46.62 83.38 Favored Glycine 0 C--N 1.333 0.403 0 CA-C-N 116.125 -0.489 . . . . 74.44 113.042 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.415 HG22 ' HG ' ' A' ' 25' ' ' LEU . 8.9 t -79.5 -33.65 41.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.672 0.273 . . . . 73.14 111.062 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -59.68 -52.42 65.57 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.425 -0.352 . . . . 62.22 111.151 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.503 ' NE ' ' HA2' ' A' ' 28' ' ' GLY . 37.8 ptt180 -65.1 -24.45 67.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.002 -0.545 . . . . 75.33 111.22 -177.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -64.57 -15.99 61.92 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.995 -0.548 . . . . 73.15 111.498 -173.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -142.0 34.14 1.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.156 0.503 . . . . 74.21 110.732 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -95.62 -53.37 3.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.735 -0.666 . . . . 75.11 111.713 -177.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.1 m -70.3 -33.84 72.03 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.865 0.691 . . . . 71.35 112.865 -171.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 35.3 m -51.43 -69.68 0.11 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.406 0.891 . . . . 51.23 113.406 -169.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 65.7 mtm -67.11 -25.77 66.37 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.741 0.305 . . . . 72.31 111.468 -175.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -61.11 -52.0 66.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.278 0.561 . . . . 75.44 110.491 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.502 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -66.42 -38.26 87.06 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 114.998 -1.001 . . . . 74.33 110.579 -177.348 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.421 ' O ' ' HB3' ' A' ' 41' ' ' LYS . 87.8 t80 -55.21 -32.38 62.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.349 -0.842 . . . . 75.04 112.255 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 40' ' ' PHE . 56.6 tptt 69.52 103.71 0.06 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.352 0.596 . . . . 73.54 110.674 -176.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.551 ' HB3' ' HB3' ' A' ' 9' ' ' SER . 32.2 mm-40 -60.44 -80.25 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.045 -0.98 . . . . 70.02 112.327 -177.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.1 t80 53.31 40.33 31.15 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.266 -0.879 . . . . 71.02 111.012 -174.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.625 ' HB2' ' HA ' ' A' ' 9' ' ' SER . 58.2 m -89.09 148.05 23.91 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.034 -0.728 . . . . 64.24 109.034 174.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -110.56 30.55 6.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.059 0.457 . . . . 72.43 111.389 -170.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 129.57 136.29 4.05 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.512 -0.851 . . . . 64.13 112.471 177.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.605 HD22 ' HB2' ' A' ' 52' ' ' LEU . 3.0 tm? -121.33 126.35 49.25 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.167 0.508 . . . . 73.12 110.006 178.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -114.35 -177.83 3.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.659 -0.7 . . . . 70.42 110.319 -178.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.455 ' HA ' ' HG2' ' A' ' 95' ' ' MET . 44.8 t80 -67.56 -57.37 6.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.21 -0.45 . . . . 71.42 110.229 178.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -87.71 68.18 9.39 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.694 0.759 . . . . 63.31 109.856 178.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -152.01 -49.3 0.11 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.54 -1.209 . . . . 74.34 108.209 174.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.605 ' HB2' HD22 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -85.69 82.29 8.28 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 107.902 -1.147 . . . . 52.31 107.902 170.366 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.476 ' O ' HD23 ' A' ' 57' ' ' LEU . 41.2 p -122.58 -176.82 3.47 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.808 -0.633 . . . . 74.24 111.365 -173.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.483 ' H ' ' CD ' ' A' ' 54' ' ' GLU . 1.4 mp0 -53.13 -39.09 63.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.718 -0.674 . . . . 73.22 110.188 177.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -67.37 -38.52 84.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.125 -0.943 . . . . 74.13 110.741 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -69.32 -40.07 77.85 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.905 -0.405 . . . . 73.23 109.905 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.524 HD13 HD21 ' A' ' 79' ' ' LEU . 3.8 mm? -57.48 -50.81 71.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.007 -0.542 . . . . 74.12 110.975 177.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.494 ' O ' HG12 ' A' ' 62' ' ' ILE . 28.8 ptt180 -68.93 -37.11 78.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.451 -0.34 . . . . 74.34 110.802 -178.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -65.4 -44.25 88.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.842 0.353 . . . . 72.34 110.708 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -66.58 -37.82 85.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 72.15 109.772 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.3 tp -59.54 -53.92 52.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.626 -0.715 . . . . 64.53 110.149 174.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.494 HG12 ' O ' ' A' ' 58' ' ' ARG . 40.3 mm -56.7 -48.37 80.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.009 -0.542 . . . . 73.54 111.14 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -60.33 -45.55 93.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.134 0.492 . . . . 72.11 110.973 -178.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.68 ' HE1' ' HA ' ' A' ' 75' ' ' ALA . 12.5 ttp -71.47 -42.97 67.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.881 -0.599 . . . . 74.23 111.69 -177.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -72.26 -49.0 38.31 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.082 -0.508 . . . . 52.43 110.866 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -84.57 -62.96 1.42 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.783 -0.189 . . . . 73.34 110.971 -174.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 78.4 m -68.23 -49.82 58.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.751 0.31 . . . . 75.34 111.631 -174.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 64' ' ' MET . 93.6 mt -78.68 -8.02 58.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.707 0.289 . . . . 74.41 110.484 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 60.2 m 63.2 27.78 15.68 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.611 -0.722 . . . . 73.04 112.392 173.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -88.74 169.91 11.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.822 0.344 . . . . 75.3 110.942 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.32 168.34 11.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.933 -0.576 . . . . 75.12 110.121 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -69.62 -28.46 65.94 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.194 -0.202 . . . . 72.43 111.359 -177.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.4 m -57.04 -44.26 82.78 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.942 0.401 . . . . 71.13 110.532 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.0 m -69.46 -44.0 72.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.0 -0.545 . . . . 72.02 110.043 178.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.68 ' HA ' ' HE1' ' A' ' 64' ' ' MET . . . -60.71 -45.81 92.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.541 -0.754 . . . . 61.1 111.382 -179.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -62.88 -36.21 82.56 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.32 -0.4 . . . . 74.51 111.241 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.14 -46.03 75.32 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.032 0.444 . . . . 74.41 110.452 178.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -63.5 -44.03 95.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.881 -0.6 . . . . 71.43 110.826 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.524 HD21 HD13 ' A' ' 57' ' ' LEU . 72.7 mt -64.2 -33.91 76.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.227 -0.442 . . . . 61.23 110.696 178.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.439 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 23.0 t -70.82 -24.47 62.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.666 0.269 . . . . 73.44 110.587 178.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.4 m -74.56 -41.58 60.28 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.466 -0.568 . . . . 63.43 109.466 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.695 HG22 ' HE2' ' A' ' 85' ' ' TYR . 85.9 mt -62.6 -39.39 84.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.39 -0.823 . . . . 74.31 109.524 172.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.503 ' O ' ' HB2' ' A' ' 87' ' ' SER . 2.3 tmtt? -54.39 -32.23 56.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.374 -0.83 . . . . 75.34 111.061 178.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 80' ' ' SER . 76.7 mt -62.25 -52.44 60.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 111.384 0.142 . . . . 54.54 111.384 -178.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.695 ' HE2' HG22 ' A' ' 82' ' ' ILE . 1.1 p90 -72.97 -31.91 64.86 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.45 -0.5 . . . . 74.21 110.167 -177.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 90' ' ' ILE . 76.1 t -65.02 -50.76 73.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 70.13 110.096 176.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.503 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 0.5 OUTLIER -58.54 -37.78 76.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.992 -0.549 . . . . 74.52 111.239 178.818 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.91 -42.74 80.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.033 0.444 . . . . 74.45 110.496 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.64 ' HA ' ' HA3' ' A' ' 93' ' ' GLY . . . -68.46 -27.17 65.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.785 -0.643 . . . . 71.54 111.53 -179.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 86' ' ' VAL . 93.4 mt -79.01 -31.74 14.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.096 0.474 . . . . 71.25 110.308 177.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.3 tttt -76.4 -43.27 41.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.836 -0.62 . . . . 75.04 109.628 -176.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 38.1 tptt -170.19 75.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.8 -0.636 . . . . 75.14 110.388 170.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.64 ' HA3' ' HA ' ' A' ' 89' ' ' ALA . . . -146.51 -63.88 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.284 -0.96 . . . . 74.52 113.324 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -161.49 -51.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 71.35 110.736 -173.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.455 ' HG2' ' HA ' ' A' ' 49' ' ' PHE . 90.1 mtp -76.0 163.97 26.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.975 -0.557 . . . . 74.13 110.967 -177.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -128.09 -36.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.104 -0.498 . . . . 63.04 111.471 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.447 ' H ' ' HE1' ' A' ' 49' ' ' PHE . 16.0 m120 -114.68 141.39 47.87 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.175 -0.466 . . . . 73.21 110.04 -177.082 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.566 ' OD1' ' HD2' ' A' ' 99' ' ' PRO . 0.4 OUTLIER -77.99 141.38 63.17 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.883 -0.599 . . . . 75.24 110.422 179.297 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.566 ' HD2' ' OD1' ' A' ' 98' ' ' ASP . 29.9 Cg_endo -65.28 -53.66 0.78 Allowed 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.622 2.215 . . . . 64.21 112.866 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.579 ' HA ' ' HB3' ' A' ' 103' ' ' PHE . 13.4 p90 -66.53 -25.0 66.46 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.969 0.414 . . . . 71.42 111.26 -172.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.545 ' O ' ' HD2' ' A' ' 101' ' ' LYS . 0.4 OUTLIER -63.91 -39.93 95.32 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.856 -0.611 . . . . 72.2 109.558 178.624 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.83 15.16 29.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.542 0.687 . . . . 64.12 109.764 -177.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.579 ' HB3' ' HA ' ' A' ' 100' ' ' PHE . 6.5 t80 -109.78 82.63 1.62 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.175 -0.92 . . . . 75.24 110.364 -175.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 81.86 39.01 12.33 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.004 -0.617 . . . . 64.11 112.448 178.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 49.6 tp -148.86 98.13 2.81 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.812 -0.44 . . . . 72.55 109.812 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -121.31 124.62 45.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.988 0.423 . . . . 73.01 110.263 -177.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -159.63 107.94 1.77 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.98 -0.748 . . . . 73.45 108.98 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -119.3 81.28 1.69 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.123 0.487 . . . . 74.55 110.784 -177.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 59.3 m80 52.62 -115.8 0.97 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 115.815 -0.63 . . . . 71.12 109.789 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -179.85 -33.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.86 -0.793 . . . . 74.22 108.86 172.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -109.19 96.52 6.36 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.7 -0.852 . . . . 74.12 108.7 172.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 . . . . . 0 C--O 1.246 0.884 0 O-C-N 124.125 0.891 . . . . 75.44 110.299 -173.183 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 121.075 0.464 . . . . 72.41 110.347 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -157.86 19.29 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.675 -0.693 . . . . 75.54 109.583 178.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -96.99 166.14 14.46 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.232 -0.894 . . . . 74.04 110.094 -173.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -66.45 111.25 2.03 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.484 2.122 . . . . 71.23 110.658 168.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m 69.13 82.74 0.16 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.807 -0.633 . . . . 75.24 111.441 -177.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -101.29 6.78 42.96 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.526 0.679 . . . . 72.1 110.21 173.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.654 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 5.0 m-85 -92.77 130.46 38.38 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 115.075 -0.966 . . . . 65.51 109.765 -177.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.4 ' HE2' ' HB3' ' A' ' 8' ' ' LYS . 35.7 mtpt -96.48 -17.63 20.41 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.212 -0.449 . . . . 53.21 111.738 -177.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 t -146.77 170.78 16.28 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.751 -0.379 . . . . 65.22 111.378 -172.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.453 ' O ' HG23 ' A' ' 14' ' ' VAL . 43.4 p90 -61.35 -37.77 84.54 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.893 -0.594 . . . . 75.43 111.101 -176.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -63.27 -25.27 68.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.847 0.356 . . . . 75.14 110.906 -177.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.654 ' HB2' ' HB3' ' A' ' 7' ' ' PHE . 42.2 m-20 -80.53 -45.67 17.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.166 -0.47 . . . . 74.41 110.617 177.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -63.64 -48.37 77.52 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.665 -0.698 . . . . 73.04 110.93 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 10' ' ' PHE . 90.8 t -58.74 -41.28 82.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.972 -0.558 . . . . 72.41 110.665 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.05 -29.3 70.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.415 -0.357 . . . . 72.13 111.751 -176.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.2 t -82.66 -38.96 22.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.964 0.411 . . . . 52.03 110.746 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -76.72 -37.62 55.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.987 0.422 . . . . 74.51 110.811 -177.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 49.8 ttm -61.01 -28.97 69.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.736 -0.665 . . . . 72.23 111.486 -176.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -49.63 -35.98 22.95 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.061 0.458 . . . . 74.34 111.865 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.3 m -79.79 -39.57 30.58 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.179 -0.464 . . . . 73.22 110.966 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -69.3 -33.08 72.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 73.4 111.024 -177.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.6 p -66.85 -12.62 59.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.927 0.394 . . . . 63.45 111.323 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -76.78 -28.83 55.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.847 0.356 . . . . 71.33 110.471 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -107.88 13.04 26.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.461 0.648 . . . . 74.44 110.491 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.8 tp -115.31 135.73 53.84 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.99 -1.115 . . . . 61.21 107.99 173.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.411 ' CG ' HG22 ' A' ' 29' ' ' THR . 10.7 pt-20 -60.24 146.29 44.27 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 109.715 -0.476 . . . . 75.44 109.715 176.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.8 mm -68.96 -27.55 35.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 116.017 -0.538 . . . . 73.0 110.437 -175.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.01 -48.21 63.67 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.182 -0.533 . . . . 62.41 112.76 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.411 HG22 ' CG ' ' A' ' 26' ' ' GLU . 7.6 t -79.3 -47.96 14.96 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 121.031 -0.268 . . . . 74.32 110.99 -179.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -51.07 -45.89 61.57 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.322 0.49 . . . . 70.11 112.322 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -65.57 -21.71 66.62 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.986 0.365 . . . . 73.22 111.986 -174.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -69.49 -29.21 66.81 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.855 0.359 . . . . 72.01 111.27 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.494 ' HD2' HG23 ' A' ' 81' ' ' THR . 15.4 t60 -139.61 50.37 1.77 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.054 -0.721 . . . . 74.34 109.054 -174.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -89.32 -50.37 6.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.175 -0.92 . . . . 52.35 112.067 -170.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.5 m -103.57 2.81 33.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.901 0.381 . . . . 74.24 111.098 -174.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.1 m -62.07 -60.4 3.66 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.633 0.605 . . . . 74.25 112.633 -174.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -51.3 -38.68 54.2 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.731 0.641 . . . . 73.24 112.731 -171.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -66.98 -45.49 77.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.942 0.401 . . . . 75.34 111.271 -174.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -91.7 -30.96 16.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.86 -0.609 . . . . 74.12 112.191 -174.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.407 ' HE2' ' HH ' ' A' ' 60' ' ' TYR . 53.3 t80 -64.72 -24.64 67.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.232 0.539 . . . . 75.23 110.346 -178.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.428 ' HG2' ' CZ ' ' A' ' 10' ' ' PHE . 9.8 tptp -126.54 88.73 2.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.845 -0.616 . . . . 63.52 109.722 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.78 -4.73 52.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.775 -0.648 . . . . 61.44 110.657 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -125.07 -172.74 2.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.158 -0.474 . . . . 71.14 110.223 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 82.6 m 68.74 91.64 0.09 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.406 0.622 . . . . 75.41 111.324 -178.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -118.3 169.45 9.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.47 -0.786 . . . . 71.35 110.234 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.0 47.34 83.59 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.783 -0.722 . . . . 71.24 111.765 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.5 tt -93.93 112.15 23.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.9 0.381 . . . . 64.14 110.135 -176.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -96.47 176.14 6.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.879 -0.601 . . . . 60.34 110.184 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -58.02 -33.33 68.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.609 -0.723 . . . . 72.24 112.17 -176.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -67.05 -9.81 43.19 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.241 0.459 . . . . 74.12 112.241 -177.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -90.05 -23.51 21.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 73.43 110.856 177.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -99.35 90.86 4.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.295 0.569 . . . . 62.22 109.847 -177.102 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.44 ' O ' HD21 ' A' ' 57' ' ' LEU . 38.7 p -126.73 175.18 8.18 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.738 -0.665 . . . . 73.04 110.227 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.436 ' HB2' ' HB3' ' A' ' 102' ' ' ASP . 7.6 tm-20 -59.45 -35.46 74.09 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.394 -0.595 . . . . 71.41 109.394 173.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -57.48 -43.55 84.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.462 -0.79 . . . . 71.42 110.081 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -62.61 -47.56 83.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.635 -0.711 . . . . 75.52 110.782 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.44 HD21 ' O ' ' A' ' 53' ' ' THR . 4.4 mm? -59.75 -42.88 94.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.98 0.419 . . . . 54.34 110.579 178.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -61.68 -48.66 79.81 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.696 -0.684 . . . . 55.12 110.665 177.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -61.99 -41.39 98.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.718 -0.673 . . . . 74.34 111.199 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.407 ' HH ' ' HE2' ' A' ' 40' ' ' PHE . 2.6 t80 -65.74 -36.14 82.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.953 -0.567 . . . . 74.33 109.902 179.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 49.8 tp -62.14 -48.78 78.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.019 -0.537 . . . . 62.22 110.532 175.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 77.5 mt -60.25 -47.82 90.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.572 -0.74 . . . . 63.0 110.545 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -57.19 -39.76 76.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.936 -0.575 . . . . 72.35 110.529 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.734 ' HE1' HD21 ' A' ' 78' ' ' ASN . 7.5 tpp -65.0 -57.06 9.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.703 -0.681 . . . . 73.22 110.766 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -65.22 -38.14 89.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.847 -0.615 . . . . 63.54 110.812 -173.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -78.32 -63.36 1.42 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.813 -0.63 . . . . 65.41 111.286 -178.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 56.0 m -80.23 -46.01 17.01 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.603 0.594 . . . . 51.21 112.603 -173.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 73.8 mt -94.06 4.8 53.38 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.752 0.279 . . . . 73.15 111.752 -171.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 18.0 t 67.43 -164.77 0.21 Allowed 'General case' 0 CA--C 1.535 0.379 0 O-C-N 123.429 0.455 . . . . 73.4 110.198 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 73.27 -173.2 0.14 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.05 0.54 . . . . 71.14 110.625 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -126.78 -172.79 2.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.229 -0.441 . . . . 75.13 110.829 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -55.66 -38.43 69.58 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.947 -0.57 . . . . 74.55 111.856 -177.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.2 m -55.04 -44.71 74.93 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.773 0.32 . . . . 72.33 111.432 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.3 m -77.8 -28.17 50.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.225 0.536 . . . . 74.32 111.047 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.468 ' HA ' ' HE2' ' A' ' 64' ' ' MET . . . -71.97 -43.24 65.47 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.41 -0.359 . . . . 75.02 110.707 177.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -62.2 -44.48 96.49 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.008 -0.542 . . . . 64.43 111.48 -176.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -26.81 68.64 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.681 0.276 . . . . 74.34 111.011 -179.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.734 HD21 ' HE1' ' A' ' 64' ' ' MET . 51.8 t30 -77.32 -49.69 14.44 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 121.036 0.446 . . . . 62.13 110.297 175.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.08 -31.18 68.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.378 -0.828 . . . . 74.42 111.465 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.54 ' HA ' ' HB3' ' A' ' 83' ' ' LYS . 69.8 m -59.38 -28.78 67.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.087 -0.506 . . . . 73.21 112.227 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.494 HG23 ' HD2' ' A' ' 33' ' ' HIS . 74.7 p -66.83 -44.33 81.39 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.52 -0.472 . . . . 75.0 110.756 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.5 mt -71.17 -36.82 64.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 75.53 109.596 174.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.54 ' HB3' ' HA ' ' A' ' 80' ' ' SER . 76.5 tttt -53.56 -47.97 69.56 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.469 -0.787 . . . . 74.31 111.78 178.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 80' ' ' SER . 44.7 mm -55.52 -41.3 62.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.493 0.187 . . . . 74.24 111.19 -177.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -70.58 -48.14 56.75 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.696 -0.401 . . . . 63.34 110.093 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.653 ' O ' HG13 ' A' ' 90' ' ' ILE . 79.5 t -59.88 -54.97 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.974 -0.557 . . . . 74.4 110.769 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.799 ' HA ' HD11 ' A' ' 90' ' ' ILE . 2.3 m -55.41 -44.28 76.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.785 -0.643 . . . . 75.33 111.583 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.02 91.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.811 0.339 . . . . 63.22 110.607 177.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.06 -24.7 67.8 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.163 -0.471 . . . . 72.33 111.406 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.799 HD11 ' HA ' ' A' ' 87' ' ' SER . 76.1 mt -64.53 -53.05 47.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.361 178.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -77.33 -29.12 53.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.708 -0.678 . . . . 71.24 110.509 -178.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -66.18 -43.31 87.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.993 -0.549 . . . . 61.53 110.754 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 134.92 50.69 0.08 OUTLIER Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.128 -1.034 . . . . 45.2 113.915 175.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -140.78 -70.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 117.001 0.4 . . . . 73.2 110.675 172.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.468 ' HG3' HG13 ' A' ' 86' ' ' VAL . 81.7 mmm -65.29 140.15 58.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.01 0.433 . . . . 73.42 110.817 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -75.13 -48.41 23.86 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.748 -0.66 . . . . 75.34 111.076 -176.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -146.78 158.69 43.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.021 -0.536 . . . . 75.55 111.146 -173.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.05 142.1 87.23 Favored Pre-proline 0 N--CA 1.45 -0.474 0 CA-C-N 115.519 -0.764 . . . . 73.43 110.239 178.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.06 -36.07 2.73 Favored 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 122.458 2.105 . . . . 64.33 112.536 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.773 ' HA ' ' HD2' ' A' ' 103' ' ' PHE . 51.2 p90 -74.95 -17.85 60.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.563 0.697 . . . . 75.25 110.843 -178.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.416 ' HE3' ' HB3' ' A' ' 101' ' ' LYS . 0.6 OUTLIER -71.89 -25.22 61.84 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.228 -0.897 . . . . 74.44 110.404 179.202 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.436 ' HB3' ' HB2' ' A' ' 54' ' ' GLU . 33.4 t70 -95.22 7.24 46.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.97 -0.559 . . . . 70.44 111.381 -173.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.773 ' HD2' ' HA ' ' A' ' 100' ' ' PHE . 5.7 m-85 -71.88 78.89 0.88 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.652 0.612 . . . . 75.44 112.652 -177.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 79.16 -90.43 1.21 Allowed Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.028 -0.987 . . . . 64.43 113.764 167.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 56.1 tp 61.13 94.06 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.368 0.687 . . . . 75.42 110.129 -169.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -113.76 122.78 48.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.185 0.517 . . . . 73.12 112.223 -173.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -169.55 114.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.349 -0.841 . . . . 65.33 109.293 174.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 39.4 m170 -116.66 136.7 52.75 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.372 0.606 . . . . 73.45 112.031 -176.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -146.97 101.82 3.46 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.807 -1.088 . . . . 70.24 108.9 173.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 36.5 t60 -147.59 -89.39 0.09 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 111.812 0.301 . . . . 72.43 111.812 -176.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 59.38 -78.86 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 O-C-N 123.52 0.512 . . . . 65.45 109.854 -167.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 10.1 m170 . . . . . 0 C--O 1.247 0.963 0 N-CA-C 109.003 -0.74 . . . . 73.04 109.003 174.325 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.813 0.34 . . . . 65.24 110.559 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -91.69 -0.4 57.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.447 -0.342 . . . . 55.14 110.893 -175.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -101.2 137.16 19.62 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 109.395 -0.594 . . . . 73.33 109.395 -177.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.45 ' HD2' ' CZ ' ' A' ' 7' ' ' PHE . 20.9 Cg_exo -69.2 -26.85 29.79 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.851 2.367 . . . . 70.41 111.742 175.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 m 61.98 18.54 9.98 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.137 -0.938 . . . . 74.13 112.552 173.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -102.36 3.49 37.98 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.274 0.559 . . . . 53.11 111.699 -177.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.45 ' CZ ' ' HD2' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -100.06 134.75 42.52 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 121.787 0.803 . . . . 73.13 111.948 177.464 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.781 ' HG3' ' HG ' ' A' ' 9' ' ' SER . 18.8 pttm -95.49 -36.03 11.46 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 113.796 -1.547 . . . . 74.45 111.218 -176.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.781 ' HG ' ' HG3' ' A' ' 8' ' ' LYS . 49.5 m -126.24 169.29 13.02 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.376 0.51 . . . . 60.21 112.376 -168.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -56.28 -43.47 78.85 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 115.416 -0.811 . . . . 75.52 111.952 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.3 p80 -65.47 -25.54 67.54 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.775 -0.37 . . . . 75.45 111.243 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -81.1 -46.19 15.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.09 0.472 . . . . 72.54 110.107 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.431 ' CD1' ' HD1' ' A' ' 85' ' ' TYR . 61.0 t80 -60.44 -52.59 64.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.558 -0.746 . . . . 72.32 110.992 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.7 t -61.02 -33.78 57.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.242 -0.435 . . . . 73.52 110.811 -177.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.97 95.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 72.13 110.821 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.0 t -79.46 -38.95 33.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.235 -0.438 . . . . 62.31 110.684 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -72.05 -38.11 69.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.426 -0.352 . . . . 53.31 110.792 -176.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.409 ' HE3' ' HB2' ' A' ' 18' ' ' MET . 35.7 tpp -60.1 -38.81 84.05 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.754 -0.461 . . . . 75.22 109.754 176.01 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.538 ' HD3' ' O ' ' A' ' 19' ' ' LYS . 1.7 tmtp? -73.61 -22.66 59.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.645 -0.707 . . . . 74.32 110.109 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.9 m -63.39 -56.42 16.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.357 -0.383 . . . . 71.21 110.812 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -88.15 -3.27 58.9 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 120.808 -0.357 . . . . 75.42 111.365 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.817 ' HA ' ' HB2' ' A' ' 25' ' ' LEU . 43.2 t -56.03 -18.78 10.41 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.302 -0.408 . . . . 74.43 111.022 173.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -51.82 -35.88 45.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.984 -0.553 . . . . 73.41 111.047 175.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.3 mtt-85 -112.64 8.43 19.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.256 -0.429 . . . . 73.42 111.342 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.817 ' HB2' ' HA ' ' A' ' 22' ' ' SER . 3.8 mp -86.87 121.28 29.14 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.691 -0.485 . . . . 74.21 109.691 176.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -68.51 165.58 18.76 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.912 -0.585 . . . . 72.51 110.377 175.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.44 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 58.8 mt -61.03 -35.72 67.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.568 -0.742 . . . . 73.05 111.089 -175.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.52 -60.75 8.11 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-N 116.136 -0.484 . . . . 44.31 113.508 -177.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.7 t -66.99 -37.1 83.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.042 0.421 . . . . 75.32 111.387 -177.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -63.99 -45.91 86.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.58 -0.282 . . . . 75.33 111.543 -175.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 27' ' ' ILE . 16.1 ptm180 -74.3 -20.28 60.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.709 0.29 . . . . 73.54 111.462 -176.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.83 -59.12 3.3 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.244 0.461 . . . . 71.01 112.244 -175.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -100.16 23.08 10.47 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.894 0.331 . . . . 54.41 111.894 -173.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -73.35 -48.37 34.81 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 121.014 0.435 . . . . 71.21 111.568 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 m -72.48 -22.56 61.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.021 -0.536 . . . . 63.23 111.888 -174.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.517 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 60.9 m -56.13 -60.34 3.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.83 0.347 . . . . 72.42 111.684 -175.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 54.0 ttp -72.03 -27.3 62.62 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.255 -0.43 . . . . 63.32 110.859 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 38' ' ' ARG . 8.7 mtt180 -72.05 -26.98 62.4 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.787 0.662 . . . . 72.2 112.787 -174.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 36' ' ' CYS . 59.1 pttt -72.38 -22.03 61.2 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.753 -0.779 . . . . 73.25 109.9 177.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -88.91 1.07 55.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.453 0.644 . . . . 75.3 110.095 177.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 24.6 ttpp -75.32 6.09 4.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.706 -0.679 . . . . 73.25 111.542 -175.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -100.11 9.13 43.31 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.466 0.651 . . . . 73.01 109.98 174.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -90.62 103.68 16.35 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.456 -0.942 . . . . 73.32 108.456 173.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.1 t -63.05 -37.41 87.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 75.21 111.155 -173.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' HB3' ' H ' ' A' ' 46' ' ' GLY . 47.4 mt-10 -83.17 -157.09 0.21 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.154 0.502 . . . . 54.23 110.288 176.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.447 ' HA3' ' CB ' ' A' ' 9' ' ' SER . . . -169.96 -128.23 1.0 Allowed Glycine 0 N--CA 1.438 -1.229 0 C-N-CA 120.528 -0.844 . . . . 72.02 112.007 178.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.516 ' HG ' ' HB2' ' A' ' 51' ' ' GLU . 9.3 tt -169.67 127.76 0.93 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.035 -0.728 . . . . 60.2 109.035 -174.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -101.05 -177.57 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.621 -0.263 . . . . 73.33 111.029 -177.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -55.15 -37.35 66.87 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.299 -0.409 . . . . 74.22 112.006 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -72.92 -30.42 63.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.171 -0.468 . . . . 75.03 111.126 -177.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.516 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . 11.4 mp0 -86.49 -11.36 51.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.101 -0.499 . . . . 63.44 110.572 -176.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.448 ' CD1' ' HG3' ' A' ' 99' ' ' PRO . 0.8 OUTLIER -74.01 94.84 2.42 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.316 -0.624 . . . . 61.11 109.316 178.732 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.0 p -125.67 162.92 23.93 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.058 -0.519 . . . . 74.31 110.842 -177.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.47 -36.79 74.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 72.22 110.241 176.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -57.5 -42.92 83.68 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.145 -0.479 . . . . 64.32 111.248 -177.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.438 ' HD2' HD23 ' A' ' 57' ' ' LEU . 76.1 t80 -62.26 -51.6 67.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.828 0.347 . . . . 75.41 110.304 178.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.438 HD23 ' HD2' ' A' ' 56' ' ' PHE . 4.4 mm? -60.69 -45.06 95.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.783 -0.644 . . . . 71.22 110.974 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -65.01 -50.3 66.84 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.307 -0.86 . . . . 74.55 111.008 -177.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -64.21 -37.79 88.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.082 -0.508 . . . . 64.21 111.177 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.417 ' HD2' HD23 ' A' ' 79' ' ' LEU . 49.8 t80 -71.29 -37.23 71.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 73.43 110.368 -179.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.482 HD22 ' HZ ' ' A' ' 103' ' ' PHE . 49.1 tp -57.27 -53.4 58.5 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.163 -0.471 . . . . 74.14 110.14 175.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.9 mt -60.42 -48.69 87.35 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.459 0 CA-C-N 115.643 -0.708 . . . . 75.22 110.177 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -53.98 -41.7 68.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.101 0.477 . . . . 73.31 111.26 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.508 ' HE1' ' HA ' ' A' ' 75' ' ' ALA . 6.2 ttp -70.38 -40.89 73.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.922 -0.581 . . . . 75.22 111.723 -176.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.613 ' HA ' ' H ' ' A' ' 70' ' ' ASN . 21.9 ptmt -83.73 -24.69 31.06 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 111.825 0.306 . . . . 72.34 111.825 -178.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -93.88 -63.92 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.567 -0.288 . . . . 74.35 111.75 -175.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.3 m -79.24 -39.1 33.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.954 0.407 . . . . 71.42 111.042 -174.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 64' ' ' MET . 87.8 mt -88.74 -14.17 37.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.29 -0.414 . . . . 74.51 110.644 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.428 ' C ' HD21 ' A' ' 70' ' ' ASN . 45.6 t 54.29 76.82 0.22 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.728 -0.669 . . . . 72.23 111.636 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.613 ' H ' ' HA ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -120.87 162.07 20.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.162 -0.472 . . . . 75.35 109.981 176.326 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.56 162.91 24.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.291 -0.413 . . . . 64.31 110.43 177.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.97 -47.3 85.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.263 -0.426 . . . . 62.13 110.877 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.4 m -66.85 -20.14 65.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.579 . . . . 63.55 111.514 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.9 m -83.54 -48.05 10.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.189 0.519 . . . . 72.0 110.238 178.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.508 ' HA ' ' HE1' ' A' ' 64' ' ' MET . . . -63.46 -46.9 84.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.696 -0.684 . . . . 63.12 111.116 -178.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -59.88 -36.13 76.29 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.924 -0.58 . . . . 72.45 111.047 178.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -66.79 -41.4 87.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.113 0.482 . . . . 75.51 110.517 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -70.03 -37.54 75.63 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.807 -0.633 . . . . 64.21 110.193 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.417 HD23 ' HD2' ' A' ' 60' ' ' TYR . 65.0 mt -65.18 -34.1 77.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.794 -0.639 . . . . 71.31 111.077 176.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.461 ' HA ' ' HB3' ' A' ' 83' ' ' LYS . 68.3 m -60.0 -21.74 61.69 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.373 -0.376 . . . . 75.01 111.831 177.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.2 m -73.09 -43.31 61.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 72.45 110.486 178.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.7 mt -70.9 -32.87 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.463 0.649 . . . . 65.5 109.279 174.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.461 ' HB3' ' HA ' ' A' ' 80' ' ' SER . 78.2 tttt -52.4 -38.85 60.0 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.031 -0.986 . . . . 75.21 111.933 175.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 50.1 mm -57.87 -37.9 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.363 . . . . 73.2 110.454 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.431 ' HD1' ' CD1' ' A' ' 13' ' ' PHE . 79.1 t80 -68.24 -50.45 53.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.319 0.58 . . . . 74.41 109.97 177.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.452 ' O ' HG13 ' A' ' 90' ' ' ILE . 48.2 t -58.75 -55.56 22.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 114.96 -1.018 . . . . 75.42 111.056 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 1.5 m -61.54 -35.36 77.53 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.047 -0.979 . . . . 64.3 112.128 -175.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.99 -36.38 75.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.962 0.411 . . . . 74.23 110.753 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.77 -25.62 61.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 74.44 111.17 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.573 HD12 ' HB3' ' A' ' 98' ' ' ASP . 66.6 mt -82.76 -33.08 10.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.06 0.457 . . . . 71.42 110.839 176.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -69.4 -45.29 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.822 -0.626 . . . . 64.2 110.133 -175.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -163.47 68.64 0.2 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.215 0.531 . . . . 60.03 109.736 172.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -136.29 -76.66 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.457 -0.878 . . . . 65.31 112.49 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -157.46 -40.82 0.07 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.743 0.306 . . . . 75.02 111.134 -175.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 83.5 mtp -73.16 137.47 45.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 73.23 111.267 -175.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -96.12 -47.27 6.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 74.35 110.638 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -107.55 157.82 17.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.123 -0.49 . . . . 61.43 109.952 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.573 ' HB3' HD12 ' A' ' 90' ' ' ILE . 3.5 p-10 -108.44 153.52 42.01 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 115.443 -0.799 . . . . 55.51 110.982 -175.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.448 ' HG3' ' CD1' ' A' ' 52' ' ' LEU . 73.9 Cg_endo -75.07 -20.07 17.08 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.644 2.229 . . . . 63.25 113.007 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.792 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 40.7 p90 -85.28 -5.68 59.3 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.431 0.634 . . . . 71.43 111.473 -176.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -61.57 -43.48 98.78 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.085 -0.962 . . . . 75.2 109.998 168.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.418 ' OD2' ' HA ' ' A' ' 106' ' ' GLU . 0.3 OUTLIER -105.7 6.83 32.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.315 -0.857 . . . . 73.34 111.009 -178.236 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.792 ' HB2' ' HA ' ' A' ' 100' ' ' PHE . 66.7 t80 -74.12 88.72 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.621 0.724 . . . . 74.02 110.194 -177.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.27 2.16 62.23 Favored Glycine 0 C--N 1.313 -0.699 0 CA-C-N 114.834 -1.075 . . . . 71.2 110.809 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 91.7 mt -141.22 68.73 1.34 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.79 -0.705 . . . . 72.21 109.22 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.457 ' CD ' ' H ' ' A' ' 106' ' ' GLU . 1.8 pm0 -67.14 102.73 1.07 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.613 0.72 . . . . 74.1 110.467 -177.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -136.01 -1.73 2.4 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.613 -1.176 . . . . 73.23 109.505 -175.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -66.02 95.38 0.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.754 -0.657 . . . . 74.15 110.751 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -158.39 15.56 0.2 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.985 -0.552 . . . . 62.41 109.911 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -79.85 -19.29 48.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.893 -0.594 . . . . 74.22 110.394 -177.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -94.76 112.91 24.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 74.54 110.28 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.273 -0.87 . . . . 72.34 108.755 176.917 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.484 1.261 0 CA-C-O 120.504 0.192 . . . . 72.51 110.892 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -65.66 -64.15 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.071 0.462 . . . . 74.15 110.418 -176.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -130.81 87.0 50.64 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.759 -0.655 . . . . 71.05 109.884 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -79.25 -164.56 0.28 Allowed 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.927 2.418 . . . . 73.32 113.246 -175.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.02 46.12 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.628 -0.715 . . . . 73.42 111.631 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -97.07 16.08 20.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.6 0.714 . . . . 64.42 110.103 -176.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -67.7 -177.94 0.85 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.184 -0.916 . . . . 73.23 111.257 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.64 ' HD2' ' HG2' ' A' ' 42' ' ' GLU . 3.5 ptpt -54.01 -38.46 65.14 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.987 -0.552 . . . . 70.51 110.955 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.541 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 32.0 t -162.08 164.91 27.84 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.855 -0.794 . . . . 71.21 108.855 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.553 ' O ' HG21 ' A' ' 14' ' ' VAL . 80.4 m-85 -63.44 -28.66 70.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.542 -0.299 . . . . 74.42 111.116 -178.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -64.61 -38.6 91.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 60.42 110.78 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -70.81 -35.23 72.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.415 0.626 . . . . 75.32 110.099 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -64.31 -39.22 93.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.349 -0.841 . . . . 75.23 110.09 174.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.619 HG12 ' HB ' ' A' ' 81' ' ' THR . 69.2 t -55.43 -47.87 77.74 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.165 0 CA-C-N 116.015 -0.538 . . . . 64.23 110.312 175.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.63 -44.09 93.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.399 . . . . 63.43 111.075 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.5 t -61.81 -40.89 96.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.959 -0.564 . . . . 65.15 110.992 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -75.72 -34.38 60.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.984 0.421 . . . . 71.01 110.238 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.669 ' HA ' ' CE1' ' A' ' 21' ' ' TYR . 39.0 ttm -64.7 -44.55 89.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.67 -0.695 . . . . 75.25 111.496 -175.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -65.8 -22.64 66.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.939 0.399 . . . . 73.42 110.501 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.3 m -76.73 -52.46 9.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.189 -0.459 . . . . 63.42 110.896 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.669 ' CE1' ' HA ' ' A' ' 18' ' ' MET . 3.8 p90 -80.46 0.83 31.82 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 120.766 -0.374 . . . . 74.55 110.76 -178.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.5 t -57.72 -25.35 60.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 73.44 110.828 175.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.3 mtm105 -67.71 -19.79 65.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.171 0.51 . . . . 75.55 110.87 177.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -108.76 13.23 25.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.814 -0.63 . . . . 73.44 110.088 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.607 ' HG ' HG22 ' A' ' 29' ' ' THR . 15.4 tp -127.05 141.4 51.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.311 -0.404 . . . . 71.22 110.361 -176.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.409 ' HB3' HG23 ' A' ' 29' ' ' THR . 0.5 OUTLIER -62.35 151.01 37.98 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.099 -0.5 . . . . 73.31 109.819 174.005 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.7 mt -67.29 -42.04 87.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 116.133 -0.485 . . . . 74.23 110.524 -177.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.67 -42.1 96.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.115 -0.564 . . . . 61.44 112.89 -177.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.607 HG22 ' HG ' ' A' ' 25' ' ' LEU . 7.8 t -78.08 -40.38 38.62 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 122.706 -0.291 . . . . 74.03 110.813 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.599 ' HE1' ' HG2' ' A' ' 18' ' ' MET . 88.3 t80 -56.06 -52.45 64.21 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.094 0.474 . . . . 72.23 110.324 173.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 31' ' ' ARG . 14.8 ttt-85 -55.08 -34.98 64.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.365 -0.834 . . . . 74.42 111.428 177.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -68.22 -16.99 64.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.497 -0.774 . . . . 71.2 112.241 -172.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -144.77 28.79 1.26 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.251 0.463 . . . . 75.21 112.251 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -90.87 -33.66 15.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.853 0.359 . . . . 73.01 111.756 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -80.67 -21.15 41.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.034 -0.53 . . . . 72.15 111.879 -174.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 63.4 m -51.37 -61.68 2.09 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 112.921 0.712 . . . . 65.32 112.921 -172.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -61.84 -36.35 80.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.481 -0.327 . . . . 74.15 111.525 -175.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.766 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -69.81 -47.85 61.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.151 -0.477 . . . . 54.3 111.164 -174.899 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -67.73 -30.36 69.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.14 -0.482 . . . . 61.45 110.583 -176.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -63.53 -31.25 72.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.783 -0.644 . . . . 75.43 110.476 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.418 ' HE2' ' HB3' ' A' ' 41' ' ' LYS . 48.7 mtpt 53.5 90.24 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.907 0.755 . . . . 71.44 110.119 -172.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.64 ' HG2' ' HD2' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -74.68 111.28 9.72 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.669 -0.696 . . . . 73.42 112.404 -170.856 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -107.68 14.47 25.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.232 -0.894 . . . . 63.53 108.895 169.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.9 t -62.55 109.17 1.3 Allowed 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.536 -1.211 . . . . 75.35 110.543 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -136.16 137.01 40.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.762 -0.654 . . . . 73.34 110.479 -176.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.66 10.65 32.6 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.87 -0.681 . . . . 54.53 112.458 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.493 HD21 ' HB2' ' A' ' 51' ' ' GLU . 1.2 tt -85.77 111.63 20.32 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.633 -0.506 . . . . 65.33 109.633 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.604 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 2.8 mp0 -83.28 -173.84 4.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.672 -0.24 . . . . 75.54 110.574 177.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.457 ' HB3' ' SD ' ' A' ' 95' ' ' MET . 92.5 m-85 -76.83 -47.73 20.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.956 0.407 . . . . 73.43 110.473 -176.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -81.55 2.74 27.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.819 0.342 . . . . 70.32 110.66 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.604 ' HG2' ' HB2' ' A' ' 48' ' ' GLN . 17.8 mm-40 -85.8 -14.38 45.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.356 0.598 . . . . 62.23 109.64 174.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.09 82.56 7.67 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.608 -0.886 . . . . 75.23 108.608 175.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.47 ' O ' HD22 ' A' ' 57' ' ' LEU . 26.6 p -121.54 179.12 4.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.782 -0.645 . . . . 71.55 111.706 -174.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 99' ' ' PRO . 59.0 mp0 -56.91 -36.41 70.14 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.468 -0.787 . . . . 62.34 110.664 176.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.35 -40.51 85.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.756 -0.656 . . . . 74.11 110.358 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -63.32 -46.43 86.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 70.14 110.222 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.47 HD22 ' O ' ' A' ' 53' ' ' THR . 4.3 mm? -57.23 -43.73 83.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.312 -0.404 . . . . 74.15 110.867 178.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -65.12 -50.48 65.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.19 -0.459 . . . . 74.15 110.838 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.05 -43.22 99.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.093 -0.503 . . . . 74.24 111.211 -178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -68.95 -34.24 75.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.869 -0.605 . . . . 72.43 110.246 -178.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.661 ' HB2' HD12 ' A' ' 79' ' ' LEU . 52.5 tp -59.58 -51.12 71.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 74.12 110.11 174.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.3 mt -58.89 -46.54 91.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.28 -0.873 . . . . 75.01 110.853 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -61.7 -40.27 94.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.927 0.394 . . . . 75.01 110.671 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.577 ' O ' ' HB2' ' A' ' 68' ' ' LEU . 5.4 tpp -62.9 -45.76 91.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.694 -0.684 . . . . 64.12 110.675 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -76.77 -32.59 57.82 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.379 -0.828 . . . . 74.53 111.114 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -80.65 -64.43 1.19 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.327 -0.397 . . . . 74.23 111.715 -176.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.7 m -79.95 -46.84 16.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.523 -0.308 . . . . 71.3 111.799 -173.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.577 ' HB2' ' O ' ' A' ' 64' ' ' MET . 80.3 mt -74.7 -14.09 60.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.568 -0.287 . . . . 65.24 111.173 -176.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.1 t 68.58 20.67 8.28 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.27 0.557 . . . . 64.24 110.952 175.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -80.98 148.65 29.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.22 -0.445 . . . . 74.41 109.851 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.65 161.11 30.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.284 -0.416 . . . . 71.31 110.404 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.66 -52.59 55.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.013 -0.54 . . . . 71.44 110.798 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.543 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 13.6 m -64.14 -34.84 78.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.716 -0.675 . . . . 70.23 111.184 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.5 m -67.84 -39.5 83.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.11 0.481 . . . . 55.54 110.501 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.76 -33.46 75.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.989 -0.551 . . . . 71.4 110.332 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -62.0 -37.38 84.63 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.856 -0.611 . . . . 54.11 110.332 174.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 73' ' ' SER . 28.6 mmt180 -64.35 -45.42 87.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 73.21 109.815 176.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -63.5 -37.88 89.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.332 -0.849 . . . . 74.4 111.375 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.661 HD12 ' HB2' ' A' ' 61' ' ' LEU . 88.9 mt -71.72 -35.48 70.19 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.94 0.4 . . . . 70.23 110.732 177.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.581 ' O ' HG12 ' A' ' 84' ' ' ILE . 31.5 t -65.19 -25.53 67.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.977 -0.556 . . . . 71.32 111.391 -177.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.619 ' HB ' HG12 ' A' ' 14' ' ' VAL . 70.6 p -63.3 -49.83 72.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.099 0.476 . . . . 71.2 110.461 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.645 HG23 ' HE2' ' A' ' 85' ' ' TYR . 70.2 mt -63.55 -41.03 91.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.633 -0.712 . . . . 71.24 110.136 177.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 87' ' ' SER . 14.7 tmtt? -57.89 -31.77 67.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.536 -0.756 . . . . 75.02 111.241 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.581 HG12 ' O ' ' A' ' 80' ' ' SER . 45.3 mm -60.38 -51.82 68.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 C-N-CA 120.987 -0.285 . . . . 51.51 111.148 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.645 ' HE2' HG23 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -74.15 -34.75 63.94 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.567 -0.453 . . . . 74.11 110.349 -176.822 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 90' ' ' ILE . 69.8 t -64.21 -45.54 96.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.816 0.341 . . . . 73.0 110.123 177.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.506 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 0.6 OUTLIER -56.22 -34.58 66.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.933 -0.576 . . . . 63.11 111.082 177.082 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.36 -38.87 63.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 43.52 110.727 177.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.67 -24.68 64.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.981 -0.554 . . . . 64.11 111.468 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 86' ' ' VAL . 63.4 mt -81.18 -30.06 11.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.091 0.472 . . . . 74.22 110.085 175.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.01 -44.14 63.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.951 -0.568 . . . . 61.12 109.765 -176.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -167.06 71.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.299 0.571 . . . . 74.23 110.267 174.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -140.0 -77.45 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.391 -0.822 . . . . 74.44 112.412 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -160.79 -35.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.782 0.325 . . . . 74.55 110.929 -177.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.457 ' SD ' ' HB3' ' A' ' 49' ' ' PHE . 88.8 mmm -66.67 121.57 15.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.156 -0.474 . . . . 72.14 111.07 -179.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -83.18 -41.78 18.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.757 -0.656 . . . . 64.51 110.628 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -116.32 164.36 14.64 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.297 -0.865 . . . . 74.41 111.241 -169.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.863 ' HB2' ' HB2' ' A' ' 101' ' ' LYS . 4.0 m-20 -95.41 143.86 26.83 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.203 -0.908 . . . . 71.11 111.462 -173.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.463 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 5.4 Cg_exo -81.92 -1.78 11.01 Favored 'Trans proline' 0 C--O 1.225 -0.146 0 C-N-CA 124.085 3.19 . . . . 54.22 111.685 173.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.636 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 29.8 p90 -128.3 25.56 5.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.497 1.142 . . . . 72.54 110.32 177.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.863 ' HB2' ' HB2' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -81.27 -38.13 27.36 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 113.3 -1.773 . . . . 74.42 110.385 -179.354 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -105.23 9.31 34.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 75.42 110.59 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.636 ' HB2' ' HA ' ' A' ' 100' ' ' PHE . 15.1 t80 -62.08 -62.94 1.43 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.043 -0.526 . . . . 75.42 111.2 -171.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -151.1 16.33 0.9 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.277 -0.963 . . . . 74.24 112.619 178.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.8 tt -129.23 95.15 3.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.068 0.461 . . . . 73.4 109.998 -177.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -95.31 59.32 2.19 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.618 0.723 . . . . 74.51 110.45 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -132.43 24.49 4.45 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.168 -1.049 . . . . 75.32 108.168 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -103.1 104.51 14.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.795 -1.093 . . . . 75.11 110.435 -177.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -109.09 147.33 32.59 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.261 -0.427 . . . . 64.53 109.883 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -131.32 159.49 37.75 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.111 -0.495 . . . . 71.42 109.781 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -95.22 1.92 54.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.44 0.638 . . . . 73.14 109.896 173.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 . . . . . 0 C--O 1.25 1.083 0 CA-C-N 115.194 -0.912 . . . . 75.42 108.989 173.48 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tmm? . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 109.636 -0.505 . . . . 72.5 109.636 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -156.35 164.96 37.67 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.867 -0.79 . . . . 65.22 108.867 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.478 ' HB3' ' OG ' ' A' ' 16' ' ' SER . 3.0 m-20 -72.34 142.44 84.45 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-O 120.792 0.329 . . . . 74.42 111.028 -175.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -95.96 -165.61 0.1 Allowed 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 123.23 2.62 . . . . 72.11 112.83 -178.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -123.32 30.22 6.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.541 0.686 . . . . 72.44 109.38 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -87.28 4.83 41.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.281 -0.872 . . . . 75.4 111.997 -171.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -78.09 145.24 35.89 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 116.023 -0.535 . . . . 73.11 110.325 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -97.62 -21.25 17.15 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.608 -0.724 . . . . 65.0 111.336 -177.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.467 ' HB2' ' OD1' ' A' ' 12' ' ' ASP . 19.3 m -101.09 142.11 33.0 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.893 -0.594 . . . . 64.22 111.199 -173.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -58.57 -45.76 88.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.88 -0.6 . . . . 75.34 111.865 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.487 ' HB2' ' HA ' ' A' ' 38' ' ' ARG . 4.2 p80 -68.51 -21.53 64.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.832 0.349 . . . . 70.23 110.859 -177.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.467 ' OD1' ' HB2' ' A' ' 9' ' ' SER . 3.2 m-20 -81.67 -49.95 9.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.899 -0.591 . . . . 51.42 110.926 175.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.617 ' CD1' ' HB2' ' A' ' 85' ' ' TYR . 7.6 t80 -59.8 -47.19 86.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.656 -0.702 . . . . 73.2 110.617 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.7 t -59.52 -40.76 82.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.266 -0.425 . . . . 70.22 111.018 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.17 -38.51 91.33 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.96 0.41 . . . . 73.34 110.875 -178.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.478 ' OG ' ' HB3' ' A' ' 3' ' ' ASN . 23.2 t -74.5 -42.75 58.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.033 -0.53 . . . . 73.21 110.864 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -68.68 -34.67 76.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.019 0.437 . . . . 75.41 109.95 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.447 ' O ' ' HB2' ' A' ' 22' ' ' SER . 33.4 tpp -63.47 -36.39 83.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.819 -0.628 . . . . 75.41 109.909 176.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -69.41 -31.39 69.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.565 -0.743 . . . . 72.32 109.973 175.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.3 m -63.64 -57.13 11.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 73.43 111.418 -177.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -89.7 5.78 44.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.106 0.479 . . . . 72.5 111.289 -177.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.532 ' HA ' ' HB2' ' A' ' 25' ' ' LEU . 42.3 t -60.52 -10.42 5.02 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.841 -0.618 . . . . 75.22 111.445 173.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -55.66 -25.69 40.66 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.596 0.358 . . . . 74.34 111.874 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -118.14 19.56 13.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.983 0.421 . . . . 73.44 110.845 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.532 ' HB2' ' HA ' ' A' ' 22' ' ' SER . 4.3 mp -109.56 130.22 55.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.257 -0.429 . . . . 60.53 111.027 -178.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -70.02 157.75 36.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.811 -0.631 . . . . 74.35 110.888 174.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.408 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 40.8 mm -56.34 -39.07 58.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.977 -0.556 . . . . 63.12 110.806 176.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.488 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -51.05 -50.45 39.02 Favored Glycine 0 CA--C 1.519 0.333 0 CA-C-N 116.165 -0.47 . . . . 74.53 113.067 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 t -79.38 -37.87 36.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.967 0.384 . . . . 74.45 110.861 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -64.36 -46.28 84.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.487 -0.324 . . . . 61.22 111.327 -174.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.777 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 31.9 ptt180 -75.06 -23.74 58.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.742 0.306 . . . . 70.43 110.548 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.488 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 2.8 t60 -66.06 -16.3 63.8 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.285 0.564 . . . . 75.21 110.222 -178.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.494 ' O ' ' HE3' ' A' ' 37' ' ' MET . 1.7 p-80 -144.58 46.17 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.443 -0.799 . . . . 74.42 109.509 174.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.777 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 26.0 tptp -78.43 -75.27 0.23 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.628 -0.714 . . . . 72.11 111.478 -175.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 4.0 m -105.53 -4.64 20.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.632 -175.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.7 m -51.14 -59.64 3.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.497 -0.774 . . . . 63.5 112.747 -172.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.494 ' HE3' ' O ' ' A' ' 33' ' ' HIS . 3.8 mpp? -64.9 -31.33 72.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.165 -0.47 . . . . 75.01 112.158 -175.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.487 ' HA ' ' HB2' ' A' ' 11' ' ' HIS . 41.4 ttt180 -77.2 -42.34 37.89 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.612 -0.435 . . . . 71.33 111.086 -175.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.438 ' HE2' ' HB3' ' A' ' 39' ' ' LYS . 50.1 mtpt -63.57 -70.47 0.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.899 -0.591 . . . . 71.01 112.127 -178.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.486 ' CE1' ' HG ' ' A' ' 68' ' ' LEU . 44.1 t80 -54.36 -43.98 71.81 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.255 -0.884 . . . . 75.21 111.875 -175.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -83.86 65.26 8.52 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.98 -0.748 . . . . 73.24 108.98 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.28 -25.4 65.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.029 -0.987 . . . . 75.24 113.079 -169.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -71.36 129.93 40.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.452 0.644 . . . . 74.21 111.882 -173.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 74.6 m -114.29 166.3 11.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.31 -0.859 . . . . 71.13 109.91 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.45 ' CD ' ' H ' ' A' ' 46' ' ' GLY . 0.2 OUTLIER 66.61 177.39 0.23 Allowed 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.564 0.54 . . . . 74.34 109.856 -178.127 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.45 ' H ' ' CD ' ' A' ' 45' ' ' GLU . . . 71.8 37.77 61.02 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.754 -0.736 . . . . 43.41 111.642 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -146.42 131.03 17.83 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.516 -0.55 . . . . 61.33 109.516 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.518 ' H ' ' HB2' ' A' ' 51' ' ' GLU . 0.4 OUTLIER -138.64 -170.32 2.81 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.005 -0.739 . . . . 71.1 109.005 178.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -82.44 -32.22 29.09 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.079 0.466 . . . . 70.24 110.878 -176.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -91.62 -2.59 57.03 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.104 0.478 . . . . 74.32 110.328 177.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.518 ' HB2' ' H ' ' A' ' 48' ' ' GLN . 40.8 mm-40 -81.1 -32.62 33.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.373 0.606 . . . . 71.3 109.539 173.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.04 87.22 7.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.25 -0.886 . . . . 72.21 109.362 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.453 ' O ' HD23 ' A' ' 57' ' ' LEU . 27.1 p -128.34 -179.31 4.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.902 -0.59 . . . . 74.05 111.336 -176.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.681 ' CG ' ' HA ' ' A' ' 103' ' ' PHE . 4.1 tm-20 -61.12 -41.64 97.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 70.51 110.27 176.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.81 -44.35 81.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 65.21 110.295 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -63.16 -51.61 65.73 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.53 -0.759 . . . . 73.21 110.323 177.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.488 HD12 HD23 ' A' ' 79' ' ' LEU . 3.4 mm? -59.87 -42.67 94.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.478 -0.328 . . . . 63.4 111.656 -178.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.08 -46.58 89.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.206 -0.452 . . . . 72.23 110.877 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -71.95 -37.07 70.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.058 0.456 . . . . 73.02 110.828 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -69.27 -30.32 68.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.764 -0.653 . . . . 75.33 110.998 -175.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 58.8 tp -62.89 -48.8 77.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.219 0.533 . . . . 71.12 109.988 174.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 57.3 mt -62.03 -44.85 99.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.403 -0.817 . . . . 63.05 110.107 175.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -55.64 -40.65 72.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.808 -0.633 . . . . 74.51 110.94 177.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.423 ' HE3' ' HB2' ' A' ' 64' ' ' MET . 10.2 tpp -64.68 -49.54 70.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.338 0.589 . . . . 72.21 110.244 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 7.3 tmtt? -63.33 -40.1 96.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.439 -0.8 . . . . 73.34 110.758 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -78.68 -64.29 1.21 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.299 0.481 . . . . 73.41 112.299 -177.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 46.3 m -78.14 -38.41 43.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 75.42 112.148 -169.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.486 ' HG ' ' CE1' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -83.31 -13.61 54.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.077 0.465 . . . . 73.55 109.841 179.219 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.4 t 60.28 37.83 20.15 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.671 -0.695 . . . . 71.23 110.045 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.419 ' O ' ' HA ' ' A' ' 65' ' ' LYS . 0.9 OUTLIER -101.38 156.3 17.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.791 -0.641 . . . . 72.43 110.308 178.426 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.08 169.29 16.05 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.421 -0.585 . . . . 75.03 109.421 174.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -32.5 74.19 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.928 -0.309 . . . . 61.22 110.288 -175.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.3 m -58.27 -46.64 85.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.132 0.491 . . . . 75.21 110.664 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -77.26 -37.11 53.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.856 -0.611 . . . . 73.03 110.647 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.72 -45.43 92.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.958 -0.564 . . . . 63.15 111.066 179.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -65.21 -36.73 85.08 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 116.285 -0.416 . . . . 74.23 110.888 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -68.18 -39.91 82.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.806 0.336 . . . . 73.41 110.126 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.416 ' O ' HG13 ' A' ' 82' ' ' ILE . 9.4 t-20 -62.38 -43.49 98.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.06 -0.518 . . . . 73.55 110.01 177.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.505 HD22 HD12 ' A' ' 82' ' ' ILE . 73.7 mt -66.04 -30.25 70.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.9 -0.591 . . . . 64.0 110.761 176.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.6 m -69.05 -39.37 79.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.542 -0.299 . . . . 75.22 110.894 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.6 p -69.84 -26.29 64.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.982 0.42 . . . . 75.21 110.51 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.505 HD12 HD22 ' A' ' 79' ' ' LEU . 79.3 mt -72.92 -38.07 55.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.634 -0.506 . . . . 64.43 109.634 172.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 87' ' ' SER . 46.5 tttm -59.97 -29.72 68.62 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 116.099 -0.5 . . . . 73.51 110.508 177.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.7 mm -54.2 -49.64 61.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 121.39 -0.124 . . . . 71.02 111.229 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.617 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -74.4 -33.15 62.94 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 120.606 -0.438 . . . . 75.32 110.358 -178.008 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.516 ' O ' HG13 ' A' ' 90' ' ' ILE . 89.0 t -67.4 -47.08 82.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.242 0.544 . . . . 73.31 110.434 177.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.474 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 0.4 OUTLIER -63.93 -36.8 85.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.351 -0.841 . . . . 74.12 110.997 178.803 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.89 -39.06 90.28 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.22 0.533 . . . . 72.12 110.117 174.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.559 ' HB2' ' HB3' ' A' ' 94' ' ' TYR . . . -66.33 -24.48 66.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.648 -0.706 . . . . 73.12 111.281 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 86' ' ' VAL . 81.7 mt -66.22 -45.87 88.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.955 0.407 . . . . 70.14 109.994 175.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt -68.6 -32.2 71.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.956 -0.565 . . . . 75.21 111.003 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.465 ' O ' ' HD3' ' A' ' 92' ' ' LYS . 12.3 tmtt? -66.24 -35.38 80.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.24 0.543 . . . . 71.2 109.718 176.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.26 11.86 28.52 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.843 -0.694 . . . . 70.12 111.696 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.559 ' HB3' ' HB2' ' A' ' 89' ' ' ALA . 13.4 t80 -85.98 -49.17 8.03 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.734 -0.469 . . . . 74.41 109.734 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.491 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 95.7 mmm -98.41 134.95 40.69 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.709 -0.678 . . . . 62.45 109.776 176.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -73.42 -45.32 55.21 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.245 0.545 . . . . 72.54 109.984 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -150.18 175.17 12.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.305 -0.861 . . . . 74.42 109.037 176.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 101' ' ' LYS . 1.5 p30 -83.86 156.66 64.25 Favored Pre-proline 0 N--CA 1.445 -0.683 0 N-CA-C 109.946 -0.391 . . . . 52.34 109.946 177.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.01 -6.82 20.07 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 122.618 2.212 . . . . 60.31 112.75 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.699 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 97.3 m-85 -85.62 -19.14 31.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.341 -0.39 . . . . 71.21 110.582 -178.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 12.9 mmtt -47.75 -51.65 21.44 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.66 -0.7 . . . . 72.14 112.229 172.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -110.55 9.2 23.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.257 0.551 . . . . 72.41 110.32 -175.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.699 ' HB2' ' HA ' ' A' ' 100' ' ' PHE . 85.9 t80 -56.53 -58.81 6.44 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.398 -0.819 . . . . 65.31 111.425 -176.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -98.31 -59.88 0.92 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.619 -0.8 . . . . 62.05 111.339 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.6 pp -161.7 129.35 4.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.99 0.424 . . . . 74.03 110.219 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.87 -68.86 0.61 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.163 -0.68 . . . . 75.31 109.163 173.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -157.29 -30.12 0.08 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.222 -0.444 . . . . 75.04 111.639 176.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 61.91 -165.08 0.23 Allowed 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 109.323 -0.621 . . . . 72.51 109.323 -169.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -171.32 108.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.518 -0.473 . . . . 75.13 110.918 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -66.07 118.08 9.32 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.567 -0.531 . . . . 74.42 109.567 175.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -132.24 21.87 4.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.39 -0.368 . . . . 63.1 111.848 -173.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.594 -0.717 . . . . 74.43 109.81 176.09 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.5 mtt . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.61 0.243 . . . . 73.04 110.638 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -130.55 80.83 1.97 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.648 -0.251 . . . . 54.22 110.562 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.7 t30 50.76 81.82 0.25 Allowed Pre-proline 0 N--CA 1.47 0.542 0 O-C-N 123.875 0.734 . . . . 71.05 111.325 -177.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -78.14 142.41 19.31 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.507 2.138 . . . . 70.22 112.145 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 t -79.0 77.72 5.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.378 0.609 . . . . 52.43 109.377 177.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -135.6 14.18 3.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.762 0.791 . . . . 54.11 110.154 -176.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -73.72 121.0 20.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.038 -0.983 . . . . 75.05 110.158 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -92.52 -6.59 49.4 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.004 -0.543 . . . . 65.53 111.083 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.915 ' HB3' ' HA ' ' A' ' 44' ' ' CYS . 13.6 p -144.55 150.34 37.35 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.456 -0.793 . . . . 70.42 110.668 -178.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.541 ' CE1' HG12 ' A' ' 82' ' ' ILE . 5.4 p90 -70.48 -26.7 63.74 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.776 -0.453 . . . . 64.3 109.776 177.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.41 ' HD1' ' CD ' ' A' ' 45' ' ' GLU . 20.7 m80 -58.57 -39.36 80.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.98 -0.555 . . . . 70.02 110.472 175.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.507 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 19.4 t70 -79.59 -39.78 30.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.825 0.345 . . . . 74.21 110.169 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -57.36 -52.55 64.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.699 -0.682 . . . . 72.34 110.982 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.656 HG12 ' HB ' ' A' ' 81' ' ' THR . 84.1 t -61.08 -41.69 90.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.394 . . . . 73.13 110.751 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.94 -38.55 82.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 65.01 111.204 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.9 t -74.4 -40.96 61.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.457 -0.338 . . . . 64.55 110.737 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.482 ' O ' ' HB ' ' A' ' 20' ' ' THR . 63.3 t80 -68.85 -37.76 79.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.114 0.483 . . . . 74.51 110.273 179.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.717 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 41.9 ttm -69.12 -33.46 73.51 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.546 -0.539 . . . . 74.24 109.546 176.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -64.99 -32.0 73.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.372 -0.831 . . . . 73.34 109.827 173.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.482 ' HB ' ' O ' ' A' ' 17' ' ' TYR . 88.9 m -59.48 -51.87 68.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.705 -0.68 . . . . 65.03 111.43 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.717 ' CE2' ' HA ' ' A' ' 18' ' ' MET . 47.7 p90 -87.65 -2.36 58.56 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 120.147 -0.621 . . . . 73.24 110.915 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.642 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 38.7 t -68.73 -10.64 57.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.061 -0.518 . . . . 60.35 110.773 174.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -65.59 -28.57 69.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.315 -0.402 . . . . 75.32 111.235 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.441 ' C ' ' HD2' ' A' ' 24' ' ' ARG . 4.5 ppt_? -113.03 3.93 16.42 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.794 0.664 . . . . 72.1 112.794 -172.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.642 ' HG ' ' HA ' ' A' ' 22' ' ' SER . 2.7 pp -110.37 159.39 17.49 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.3 0.571 . . . . 75.12 111.387 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -71.81 148.12 46.55 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-N 115.135 -0.939 . . . . 71.12 109.283 169.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.8 mm -63.74 -25.43 38.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 116.088 -0.505 . . . . 74.33 111.114 -174.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -53.81 -46.5 67.7 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 121.333 -0.46 . . . . 65.42 113.777 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.7 t -73.3 -40.28 64.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 117.207 0.503 . . . . 70.3 110.94 -178.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 82.7 t80 -60.48 -53.42 57.7 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.0 0.428 . . . . 74.21 110.951 175.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.517 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 50.7 ttt180 -63.51 -28.02 69.66 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.685 -0.689 . . . . 61.3 111.874 -177.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 8.2 t-160 -52.4 -32.73 40.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.63 -0.714 . . . . 73.1 111.706 -176.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -134.16 24.14 3.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.38 0.61 . . . . 75.21 110.18 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.517 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 14.7 tmtt? -77.11 -41.13 43.26 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.098 -0.955 . . . . 73.22 111.492 -173.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.1 m -85.64 -28.91 24.45 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.215 -0.448 . . . . 72.54 111.222 -174.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.7 t -53.19 -62.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.923 -0.58 . . . . 71.31 111.942 -174.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -61.36 -34.45 75.33 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.482 -0.781 . . . . 75.24 112.362 -173.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.507 ' NH2' ' HA ' ' A' ' 12' ' ' ASP . 23.4 mmt180 -77.88 -26.64 49.33 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.795 0.295 . . . . 71.14 111.795 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -70.14 -11.87 61.2 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.889 0.376 . . . . 73.14 111.522 -174.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.556 ' HD1' ' HG2' ' A' ' 42' ' ' GLU . 6.5 t80 -63.69 -22.92 67.15 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.166 0.508 . . . . 70.35 109.797 176.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.7 tptm 70.56 27.96 3.69 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.273 -0.876 . . . . 75.5 111.975 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.556 ' HG2' ' HD1' ' A' ' 40' ' ' PHE . 10.4 mm-40 -77.95 144.06 37.11 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.662 -0.496 . . . . 73.41 109.662 173.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -89.87 -73.64 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.04 0.448 . . . . 73.54 111.033 -175.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.915 ' HA ' ' HB3' ' A' ' 9' ' ' SER . 70.9 m -145.22 87.02 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.253 -0.431 . . . . 73.4 110.955 -178.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.547 ' OE2' ' HB2' ' A' ' 9' ' ' SER . 2.8 pm0 -87.05 112.87 22.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.486 0.66 . . . . 70.11 110.347 176.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -115.75 69.76 0.27 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.997 -0.62 . . . . 64.11 111.861 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.56 ' H ' HD12 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -96.65 164.31 12.65 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 111.824 0.305 . . . . 61.34 111.824 -177.158 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -118.56 -164.33 1.02 Allowed 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 112.355 0.502 . . . . 72.52 112.355 -174.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.472 ' CD1' ' HE2' ' A' ' 94' ' ' TYR . 25.6 p90 -56.47 -43.53 79.68 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.576 0.954 . . . . 72.1 113.576 -168.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -79.62 -16.77 55.23 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.431 -0.508 . . . . 74.22 110.626 -175.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.433 ' CB ' ' HB2' ' A' ' 47' ' ' LEU . 5.6 mp0 -83.38 -39.11 21.11 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.472 -0.566 . . . . 73.04 109.472 176.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.454 HD22 HD22 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -83.55 83.46 7.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.435 0.636 . . . . 70.31 109.44 177.412 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -129.37 174.31 9.74 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.546 -0.752 . . . . 70.41 110.166 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.727 ' HG3' ' HA ' ' A' ' 103' ' ' PHE . 3.3 tm-20 -55.73 -40.66 72.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.969 0.414 . . . . 73.34 109.984 176.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -55.67 -39.41 70.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.541 -0.754 . . . . 64.25 111.315 177.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -68.58 -47.91 65.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.483 -0.326 . . . . 74.11 110.659 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.95 -43.15 86.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 64.44 110.38 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -65.92 -47.99 72.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.71 -0.677 . . . . 61.21 110.623 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.79 -44.47 93.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 64.31 111.134 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -61.99 -41.01 97.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.842 -0.617 . . . . 74.42 110.073 -179.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.4 tp -65.33 -48.49 72.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.537 -0.756 . . . . 60.31 111.112 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 76.2 mt -63.47 -46.2 95.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.936 -0.575 . . . . 73.33 111.04 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -57.94 -37.61 74.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.153 0.501 . . . . 75.43 110.647 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.697 ' HG2' ' HB3' ' A' ' 75' ' ' ALA . 14.7 tpp -58.63 -45.74 88.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.344 -0.844 . . . . 73.55 110.789 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.527 ' O ' ' HA ' ' A' ' 69' ' ' CYS . 12.7 tmtt? -79.59 -39.91 30.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.795 -0.638 . . . . 74.23 110.771 -177.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -73.33 -63.69 1.14 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.373 -0.376 . . . . 73.35 111.799 -175.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.5 m -79.98 -47.26 15.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.397 -0.365 . . . . 64.45 111.633 -174.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 64' ' ' MET . 88.7 mt -83.55 -18.36 38.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.583 -0.28 . . . . 73.04 111.127 -176.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 76.4 m 64.58 28.76 13.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.205 -0.452 . . . . 72.13 111.334 178.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.653 ' HB2' ' HG3' ' A' ' 64' ' ' MET . 0.9 OUTLIER -91.45 160.0 15.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.281 -0.418 . . . . 74.14 109.9 177.21 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.74 161.2 27.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.613 -0.267 . . . . 73.21 110.745 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -62.49 -36.48 82.64 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.443 -0.344 . . . . 71.41 110.087 178.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.576 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 14.8 m -56.85 -47.1 81.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.916 0.389 . . . . 71.1 110.483 177.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.7 m -60.71 -47.03 88.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.948 -0.569 . . . . 71.12 110.677 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.697 ' HB3' ' HG2' ' A' ' 64' ' ' MET . . . -61.04 -41.24 96.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.64 -0.709 . . . . 73.55 111.188 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -61.42 -34.0 74.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.96 -0.564 . . . . 63.51 111.544 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' A' ' 73' ' ' SER . 14.9 mmt180 -69.28 -41.88 76.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.378 0.608 . . . . 65.0 109.887 177.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -62.74 -46.72 86.76 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.513 -0.767 . . . . 74.13 110.267 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.462 HD23 HD11 ' A' ' 82' ' ' ILE . 94.5 mt -66.21 -31.36 72.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.797 -0.638 . . . . 74.52 111.98 -178.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.533 ' O ' ' HB2' ' A' ' 83' ' ' LYS . 95.7 p -65.44 -22.36 66.75 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.136 -0.225 . . . . 73.0 111.577 -177.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.656 ' HB ' HG12 ' A' ' 14' ' ' VAL . 54.5 p -75.37 -40.2 58.32 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.449 -0.575 . . . . 72.4 109.449 176.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.541 HG12 ' CE1' ' A' ' 10' ' ' PHE . 66.9 mt -60.51 -32.66 51.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.602 -0.726 . . . . 72.41 109.982 176.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' A' ' 80' ' ' SER . 31.0 mmtp -50.46 -44.64 55.69 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.696 -0.683 . . . . 73.21 111.364 175.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.3 mm -59.59 -44.45 93.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.54 -0.3 . . . . 64.54 110.747 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -65.67 -49.47 68.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.112 0.482 . . . . 74.33 110.253 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.523 ' O ' HG13 ' A' ' 90' ' ' ILE . 95.9 t -60.74 -51.67 70.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.403 -0.817 . . . . 63.11 110.598 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 2.8 m -59.1 -40.87 86.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.807 -0.633 . . . . 73.3 111.845 -179.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.12 -38.03 89.35 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.064 0.459 . . . . 65.14 110.449 176.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.621 ' HA ' ' HA3' ' A' ' 93' ' ' GLY . . . -70.98 -24.26 62.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.812 -0.631 . . . . 72.33 111.247 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 86' ' ' VAL . 81.3 mt -81.62 -36.91 14.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 120.961 0.41 . . . . 72.34 110.394 176.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -68.36 -45.32 73.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.068 -0.515 . . . . 74.32 110.122 -178.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -163.82 64.71 0.16 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.995 -0.548 . . . . 52.2 110.185 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.621 ' HA3' ' HA ' ' A' ' 89' ' ' ALA . . . -136.16 -83.84 0.16 Allowed Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.248 -0.977 . . . . 44.43 112.928 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.472 ' HE2' ' CD1' ' A' ' 49' ' ' PHE . 32.2 t80 -161.4 -29.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.874 0.369 . . . . 73.1 110.88 -172.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.445 ' SD ' ' HA ' ' A' ' 49' ' ' PHE . 95.6 mmm -71.78 124.57 25.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 75.22 110.639 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -84.39 -42.18 15.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.492 -0.322 . . . . 74.5 111.552 -177.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -121.16 167.52 12.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.317 . . . . 54.22 110.782 -174.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.443 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 11.0 m-20 -87.33 142.2 33.16 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.856 -0.611 . . . . 72.42 110.231 178.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 5.6 Cg_exo -82.65 -35.57 0.3 Allowed 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.839 2.359 . . . . 71.13 112.47 176.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.447 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 39.0 p90 -80.45 -29.24 37.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.257 -0.429 . . . . 72.41 111.608 -174.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -47.05 -47.67 22.54 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 122.855 0.462 . . . . 74.32 112.23 175.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.671 ' HB3' ' HB2' ' A' ' 106' ' ' GLU . 10.1 m-20 -109.41 27.08 9.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.854 -0.612 . . . . 62.04 111.102 -175.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.727 ' HA ' ' HG3' ' A' ' 54' ' ' GLU . 49.0 t80 -71.8 82.27 0.89 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.766 -0.652 . . . . 74.32 109.55 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.36 -15.95 59.59 Favored Glycine 0 C--N 1.319 -0.383 0 CA-C-N 115.396 -0.82 . . . . 74.05 111.367 -177.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.589 ' HB3' ' HA ' ' A' ' 102' ' ' ASP . 46.2 tp -88.06 -16.7 32.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.521 0.677 . . . . 73.03 110.343 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.671 ' HB2' ' HB3' ' A' ' 102' ' ' ASP . 1.5 tm-20 -74.69 127.73 33.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.544 -0.753 . . . . 61.23 109.441 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -85.72 42.54 0.97 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.137 0.421 . . . . 71.21 112.137 -174.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 20.1 m170 69.72 90.84 0.09 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.539 0.685 . . . . 74.05 112.631 172.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -60.14 123.83 18.39 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.41 -0.959 . . . . 74.13 108.41 167.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -48.72 -40.24 27.73 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.371 0.419 . . . . 73.53 112.009 -172.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.402 ' HB3' ' H ' ' A' ' 112' ' ' HIS . 1.0 OUTLIER 177.07 -80.26 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.384 -0.969 . . . . 74.51 108.384 173.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.402 ' H ' ' HB3' ' A' ' 111' ' ' HIS . 36.7 t-80 . . . . . 0 C--O 1.244 0.788 0 N-CA-C 108.998 -0.741 . . . . 73.14 108.998 173.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.653 ' HE1' ' HB3' ' A' ' 4' ' ' PRO . 81.2 mtp . . . . . 0 N--CA 1.484 1.255 0 N-CA-C 109.903 -0.406 . . . . 55.11 109.903 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -101.39 -62.17 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.109 0.48 . . . . 73.15 110.19 -178.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -137.24 85.29 22.2 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.74 -0.664 . . . . 74.15 110.363 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.869 ' HD2' ' HE1' ' A' ' 7' ' ' PHE . 76.8 Cg_endo -78.49 -4.9 14.55 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.759 2.306 . . . . 64.14 113.22 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 m 62.14 26.45 15.9 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.23 0.538 . . . . 73.3 110.853 -177.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -93.31 4.21 54.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.797 0.808 . . . . 71.42 110.174 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.869 ' HE1' ' HD2' ' A' ' 4' ' ' PRO . 0.3 OUTLIER -103.03 107.93 18.92 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.949 -1.023 . . . . 75.42 111.703 -176.383 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -102.28 -9.37 20.45 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.069 -0.969 . . . . 73.23 109.791 176.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.8 m -98.3 139.66 33.73 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 114.541 -1.209 . . . . 74.2 110.347 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.84 ' HE1' ' HB2' ' A' ' 44' ' ' CYS . 32.9 p90 -59.69 -42.41 92.91 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 120.503 0.192 . . . . 71.54 111.231 -177.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.651 ' HB2' ' HG3' ' A' ' 38' ' ' ARG . 8.7 p-80 -65.91 -28.28 68.82 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.995 0.426 . . . . 71.41 110.653 -178.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.432 ' OD1' ' HB3' ' A' ' 7' ' ' PHE . 5.0 t70 -80.85 -45.43 16.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.909 -0.587 . . . . 72.52 109.663 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -56.58 -51.43 68.63 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.061 -0.972 . . . . 74.41 110.213 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.54 ' O ' ' HB2' ' A' ' 18' ' ' MET . 88.9 t -57.16 -49.53 79.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.811 -0.631 . . . . 73.31 110.718 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.6 -30.86 67.56 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.84 0.311 . . . . 62.54 111.84 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.4 t -84.21 -51.55 6.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.808 0.337 . . . . 72.44 110.809 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -70.62 -30.59 67.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.334 -0.394 . . . . 70.22 111.242 -174.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.541 ' HA ' ' HE2' ' A' ' 18' ' ' MET . 0.0 OUTLIER -63.2 -29.54 70.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.35 -0.386 . . . . 71.11 110.213 -178.607 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -60.11 -46.79 88.45 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.001 0.429 . . . . 74.12 110.401 176.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -62.41 -35.89 80.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.727 -0.67 . . . . 73.15 110.566 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -77.05 -29.37 55.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.815 -0.63 . . . . 75.14 110.362 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.583 ' HA ' HD12 ' A' ' 25' ' ' LEU . 43.3 t -67.82 -10.58 54.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.596 -0.729 . . . . 61.12 111.187 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.454 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 5.4 mmp_? -77.94 -10.77 59.75 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.131 0.491 . . . . 74.02 110.833 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -104.63 -23.01 13.15 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.775 -0.648 . . . . 74.32 112.062 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 22' ' ' SER . 1.8 pp -113.89 171.58 7.5 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.075 0.464 . . . . 64.44 111.763 -176.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -75.4 154.3 37.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.567 -0.742 . . . . 73.34 110.194 176.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.1 mm -61.5 -36.01 70.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.071 -0.513 . . . . 74.32 110.478 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -63.17 -31.31 80.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.099 -0.572 . . . . 74.11 112.159 178.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.0 m -73.44 -49.35 27.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.069 0.462 . . . . 71.14 109.945 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.455 ' HB2' HD12 ' A' ' 25' ' ' LEU . 67.9 t80 -56.56 -51.75 67.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.353 -0.84 . . . . 72.51 110.815 177.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -65.49 -30.3 71.05 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.363 -0.835 . . . . 70.42 112.012 -176.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.426 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 8.4 t-80 -62.7 -34.99 78.28 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.08 -0.248 . . . . 74.3 110.683 -175.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.531 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 53.9 p-80 -151.82 77.58 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.628 0.728 . . . . 71.25 110.997 174.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -95.31 -42.82 8.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.221 0.534 . . . . 71.02 111.132 177.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.818 ' HB3' ' HB3' ' A' ' 38' ' ' ARG . 14.8 m -77.06 -54.41 6.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.748 -0.66 . . . . 73.41 111.029 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.531 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 61.8 m 53.95 -86.82 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.532 0.733 . . . . 73.3 112.128 -178.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -71.18 -36.09 71.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.05 0.452 . . . . 71.23 109.815 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.818 ' HB3' ' HB3' ' A' ' 35' ' ' SER . 32.7 ttt-85 -63.65 -33.73 76.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.453 -0.794 . . . . 64.11 109.85 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.48 -44.01 97.85 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 114.737 -1.12 . . . . 75.32 109.875 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -75.14 -44.21 48.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.705 -0.68 . . . . 75.52 110.426 177.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -153.98 110.81 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.024 0.916 . . . . 64.02 110.965 -177.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -91.17 21.95 4.06 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.88 -1.055 . . . . 73.41 110.767 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -96.72 -165.08 1.22 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.646 -0.706 . . . . 71.55 109.742 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.84 ' HB2' ' HE1' ' A' ' 10' ' ' PHE . 83.0 m 68.63 98.57 0.06 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.615 0.721 . . . . 75.42 111.568 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -114.71 117.17 30.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.036 -0.984 . . . . 74.32 109.502 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.8 92.87 1.93 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.767 -0.73 . . . . 55.2 112.67 -179.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.1 tt -126.52 118.79 25.63 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.371 -0.603 . . . . 71.24 109.371 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -96.76 -178.12 4.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.431 0.634 . . . . 63.43 111.758 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -67.02 -31.54 72.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.026 -0.988 . . . . 72.14 110.975 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -63.42 -32.11 73.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.503 -0.772 . . . . 71.43 110.603 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -80.34 -46.47 16.05 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.738 -0.665 . . . . 73.2 110.538 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -72.24 89.74 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.257 0.551 . . . . 73.42 109.616 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.401 ' O ' HD23 ' A' ' 57' ' ' LEU . 3.7 p -134.74 166.54 22.72 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.862 -0.608 . . . . 54.45 111.09 -176.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -53.74 -38.83 64.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.928 -0.578 . . . . 72.35 110.715 176.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -59.33 -41.09 88.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.659 -0.701 . . . . 75.44 111.297 177.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -63.04 -48.01 80.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.092 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 53' ' ' THR . 4.5 mm? -58.45 -42.76 88.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.716 -0.674 . . . . 72.33 110.72 178.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.401 ' O ' HG13 ' A' ' 62' ' ' ILE . 31.4 ttt180 -66.31 -46.41 77.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.433 -0.349 . . . . 75.15 111.407 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.33 -40.38 96.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.853 0.358 . . . . 72.23 110.827 -176.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -68.54 -32.61 72.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.21 -0.45 . . . . 72.15 110.163 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.0 tp -65.33 -48.35 73.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.54 . . . . 74.33 110.559 175.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 58' ' ' ARG . 67.6 mt -60.18 -46.46 94.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.812 -0.631 . . . . 73.5 110.259 176.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -57.17 -40.44 77.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.349 0.595 . . . . 73.41 110.168 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.679 ' HG2' ' HB2' ' A' ' 75' ' ' ALA . 19.0 tpp -60.04 -42.62 94.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.4 -0.818 . . . . 75.1 110.963 178.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 69' ' ' CYS . 12.6 tmtt? -80.26 -38.92 29.97 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.82 -0.627 . . . . 74.54 110.698 -175.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -77.9 -65.38 0.98 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.231 -0.44 . . . . 74.34 111.685 -176.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.6 m -79.59 -45.1 19.8 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.014 -0.539 . . . . 72.13 111.653 -170.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 92.9 mt -85.62 -21.96 28.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.243 -0.435 . . . . 74.23 110.755 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 50.8 m 59.81 77.79 0.3 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.739 -0.664 . . . . 75.13 111.537 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -142.12 157.4 44.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 73.43 109.95 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.46 168.2 19.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.353 -0.385 . . . . 72.51 110.459 177.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -62.11 -30.75 71.23 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.556 -0.293 . . . . 73.44 110.436 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.636 ' O ' ' HD3' ' A' ' 77' ' ' ARG . 8.4 m -57.03 -55.07 39.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.329 . . . . 73.53 110.465 178.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.2 m -62.96 -40.76 98.69 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.121 -0.49 . . . . 55.35 110.954 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.679 ' HB2' ' HG2' ' A' ' 64' ' ' MET . . . -65.93 -42.43 90.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.684 -0.689 . . . . 72.33 111.763 -177.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.435 ' HA ' ' OE1' ' A' ' 76' ' ' GLN . 12.8 mm-40 -63.16 -31.42 72.56 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 116.416 -0.356 . . . . 64.53 111.528 -177.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.636 ' HD3' ' O ' ' A' ' 73' ' ' SER . 11.6 mpt_? -60.16 -43.44 95.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.914 0.387 . . . . 74.21 110.367 174.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -67.29 -51.01 57.95 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.032 -0.531 . . . . 73.11 110.452 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.45 -33.4 74.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.52 -0.764 . . . . 73.35 111.256 -178.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.614 ' O ' HG13 ' A' ' 84' ' ' ILE . 16.1 t -66.5 -33.64 76.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.537 -0.301 . . . . 73.42 110.414 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.1 m -62.79 -41.83 99.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.365 0.602 . . . . 73.53 109.695 176.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.531 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 91.2 mt -65.27 -43.29 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.603 -0.726 . . . . 71.42 110.019 173.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.535 ' O ' ' HB2' ' A' ' 87' ' ' SER . 10.8 tmtt? -57.24 -33.92 68.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.097 -0.956 . . . . 72.43 110.939 -178.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.614 HG13 ' O ' ' A' ' 80' ' ' SER . 84.5 mt -61.02 -54.83 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 111.564 0.209 . . . . 75.41 111.564 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.531 ' CE2' ' HA ' ' A' ' 82' ' ' ILE . 14.4 p90 -73.96 -28.97 61.75 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 120.369 -0.532 . . . . 74.1 110.74 -173.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.538 ' O ' HG13 ' A' ' 90' ' ' ILE . 98.0 t -72.81 -40.7 61.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.27 -0.423 . . . . 54.2 110.299 176.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.535 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 0.6 OUTLIER -58.46 -36.55 73.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.051 -0.522 . . . . 73.31 111.828 -178.548 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.46 -44.41 76.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.061 0.458 . . . . 75.23 110.044 175.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.559 ' HA ' ' HA3' ' A' ' 93' ' ' GLY . . . -72.63 -22.96 60.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.408 -0.815 . . . . 61.5 111.338 178.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.762 HD12 ' HA ' ' A' ' 98' ' ' ASP . 81.0 mt -78.45 -45.2 26.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.152 0.501 . . . . 71.32 111.278 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -78.56 -41.06 33.03 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.129 -0.487 . . . . 61.3 110.417 -174.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -149.82 71.13 1.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.46 0.648 . . . . 64.11 110.435 175.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.559 ' HA3' ' HA ' ' A' ' 89' ' ' ALA . . . -151.0 -90.37 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.361 -0.836 . . . . 64.13 112.795 175.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -143.88 -33.97 0.4 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.055 0.455 . . . . 75.24 110.854 -174.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.651 ' HB2' ' HA ' ' A' ' 90' ' ' ILE . 96.9 mmm -68.37 127.93 34.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.92 -0.582 . . . . 75.3 110.505 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.24 -48.02 45.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.087 -0.506 . . . . 64.51 111.374 -175.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -137.36 161.38 36.43 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.652 -0.499 . . . . 74.42 109.652 -175.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.762 ' HA ' HD12 ' A' ' 90' ' ' ILE . 4.0 m-20 -73.94 140.98 77.85 Favored Pre-proline 0 C--N 1.322 -0.605 0 O-C-N 123.481 0.488 . . . . 60.4 109.927 178.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 3.7 Cg_exo -78.79 -22.67 8.77 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.91 2.407 . . . . 74.02 113.552 -176.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.418 ' CD1' ' HB3' ' A' ' 98' ' ' ASP . 7.6 p90 -78.91 -9.07 59.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.114 0.483 . . . . 64.4 111.077 -175.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.8 -41.1 56.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.006 -0.997 . . . . 75.43 112.201 -177.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.6 ' HA ' ' HB2' ' A' ' 106' ' ' GLU . 27.2 t70 -106.81 -38.94 5.94 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.733 -0.387 . . . . 72.44 110.543 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 9.9 t80 46.91 32.95 2.0 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 114.962 -1.017 . . . . 74.25 112.41 174.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 92.05 65.51 1.13 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.573 -0.822 . . . . 74.01 112.054 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 49.2 tp 71.84 89.09 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 123.574 0.75 . . . . 73.13 111.253 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.6 ' HB2' ' HA ' ' A' ' 102' ' ' ASP . 4.0 tt0 -77.21 -82.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.313 -0.858 . . . . 74.0 110.08 175.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -146.06 12.41 1.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.417 -0.957 . . . . 74.35 108.417 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 55.19 61.97 2.69 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 114.918 -1.037 . . . . 63.15 110.277 -175.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -94.31 125.65 39.07 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.086 -0.709 . . . . 75.44 109.086 173.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -60.56 120.09 9.32 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.557 -0.535 . . . . 64.15 109.557 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -52.03 127.57 21.85 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.749 0.655 . . . . 72.23 112.278 -170.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 . . . . . 0 C--O 1.25 1.103 0 CA-C-N 114.926 -1.034 . . . . 73.11 108.848 175.063 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 110.237 -0.283 . . . . 72.53 110.237 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.516 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 28.6 t-20 -153.69 117.34 4.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.306 -0.407 . . . . 75.41 109.932 177.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -105.41 88.19 2.51 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.944 -0.571 . . . . 65.43 109.6 176.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.635 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 3.1 Cg_endo -79.48 89.1 1.38 Allowed 'Trans proline' 0 N--CA 1.449 -1.134 0 C-N-CA 122.589 2.192 . . . . 73.45 112.826 -171.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 p -99.66 21.45 12.34 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.165 -0.68 . . . . 74.42 109.165 172.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -84.88 3.6 37.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.169 -0.923 . . . . 74.03 111.461 -172.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.635 ' CZ ' ' HB2' ' A' ' 4' ' ' PRO . 0.6 OUTLIER -129.43 132.21 46.93 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.294 -0.867 . . . . 71.43 110.443 175.004 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.758 ' HE3' ' HB3' ' A' ' 45' ' ' GLU . 60.3 pttt -99.96 -10.69 21.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.545 -0.752 . . . . 70.11 110.983 -177.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.81 ' HB3' ' HA ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -83.77 142.87 30.37 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.934 -1.03 . . . . 75.45 111.579 -175.435 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.477 ' O ' HG22 ' A' ' 14' ' ' VAL . 31.9 m-85 -66.7 -49.78 64.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.074 -0.512 . . . . 70.43 112.073 -177.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -68.18 -22.39 64.83 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.214 0.53 . . . . 73.44 110.182 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.8 -44.38 20.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.207 -0.906 . . . . 74.13 110.697 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.503 ' HA ' ' CE1' ' A' ' 7' ' ' PHE . 37.2 t80 -65.54 -44.86 85.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.865 -0.607 . . . . 75.44 110.609 179.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 10' ' ' PHE . 71.0 t -57.82 -37.03 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 116.21 -0.45 . . . . 75.24 111.283 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.49 -35.11 76.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.96 0.409 . . . . 63.1 111.187 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 t -83.43 -36.14 24.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.235 -0.439 . . . . 74.21 110.234 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -63.54 -41.74 98.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.444 -0.343 . . . . 73.14 110.488 179.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.677 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 41.1 ttm -61.7 -46.82 88.06 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.599 -0.519 . . . . 73.22 109.599 176.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -54.36 -36.92 64.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.342 -0.845 . . . . 73.22 111.028 177.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 50.7 m -55.6 -49.67 72.16 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.845 -0.616 . . . . 74.14 111.844 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.677 ' CE2' ' HA ' ' A' ' 18' ' ' MET . 29.2 p90 -88.65 -13.26 40.24 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 120.423 -0.511 . . . . 74.42 110.946 -179.31 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.9 m -68.72 -8.86 46.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.798 0.332 . . . . 72.12 111.144 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -61.87 -22.17 65.31 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.43 -0.35 . . . . 74.34 111.187 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.675 ' HG2' ' O ' ' A' ' 21' ' ' TYR . 16.8 ptm180 -95.72 4.86 52.6 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.18 0.514 . . . . 73.51 110.431 177.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.431 HD11 ' HG3' ' A' ' 24' ' ' ARG . 10.3 mp -111.8 172.07 7.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.706 -0.679 . . . . 75.44 109.934 178.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -80.65 156.44 26.36 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.696 -0.853 . . . . 75.51 108.696 167.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.417 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 47.8 mt -66.5 -31.42 53.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.808 -0.441 . . . . 74.24 109.808 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.45 ' HA2' ' HG2' ' A' ' 31' ' ' ARG . . . -61.16 -46.85 93.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.13 -0.557 . . . . 64.13 112.319 176.192 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.4 m -63.72 -35.97 82.33 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.483 0.659 . . . . 74.42 110.022 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -68.21 -53.81 22.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.232 -0.895 . . . . 74.44 111.374 177.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.874 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 9.5 ptm85 -63.71 -19.91 65.31 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 111.966 0.358 . . . . 74.23 111.966 -174.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -69.68 -22.06 63.46 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.971 0.415 . . . . 72.44 111.045 176.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -98.35 -26.3 14.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.147 0.975 . . . . 70.11 108.916 172.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.874 ' HB3' ' HA ' ' A' ' 31' ' ' ARG . 1.1 tmtp? -80.58 -21.1 41.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.042 -1.435 . . . . 71.13 110.989 -173.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 p -64.17 -38.66 91.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.329 -0.396 . . . . 71.01 110.835 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.2 m -61.74 -48.89 78.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.975 -0.557 . . . . 64.51 110.099 175.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 62.1 mtt -59.55 -40.87 88.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.203 -0.908 . . . . 65.31 111.303 177.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.53 ' HG2' ' HD3' ' A' ' 34' ' ' LYS . 3.9 mmt180 -63.46 -41.5 98.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.551 -0.295 . . . . 74.32 111.434 178.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -67.88 -46.91 70.33 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.169 -0.469 . . . . 73.24 111.25 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -68.09 -26.35 65.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.4 110.117 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt 75.02 125.86 0.04 OUTLIER 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.121 -0.945 . . . . 72.1 112.532 173.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -71.34 141.33 50.43 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.078 -0.965 . . . . 75.33 109.144 170.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -128.48 -84.05 0.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.106 0.479 . . . . 74.25 111.096 -174.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.475 ' C ' ' HG ' ' A' ' 9' ' ' SER . 8.7 p -178.55 -34.45 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.159 -0.928 . . . . 75.13 110.238 -174.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.81 ' HA ' ' HB3' ' A' ' 9' ' ' SER . 11.2 pt-20 -159.43 -171.06 3.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.808 0.337 . . . . 65.32 110.938 177.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.67 -116.99 0.71 Allowed Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.306 -0.717 . . . . 61.25 111.306 -178.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.438 HD23 ' C ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -98.88 159.5 14.92 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.873 0.368 . . . . 71.21 110.131 177.447 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -120.22 -176.76 3.28 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.923 -0.58 . . . . 75.12 111.144 -174.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -60.6 -30.2 69.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.325 -0.852 . . . . 60.41 111.051 -178.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -58.83 -28.59 66.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.038 -0.983 . . . . 73.24 111.096 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -104.35 -11.03 17.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.561 -0.29 . . . . 74.03 111.12 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.97 86.74 1.01 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.343 -0.614 . . . . 63.24 109.343 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.5 p -141.73 -178.06 5.48 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.713 -0.676 . . . . 61.35 111.082 -173.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.694 ' HG3' ' HA ' ' A' ' 103' ' ' PHE . 1.0 OUTLIER -50.17 -49.26 52.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.917 -0.583 . . . . 72.11 111.112 177.619 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.31 -33.67 75.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.788 -0.642 . . . . 75.12 111.27 -176.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.428 ' CE1' ' HG ' ' A' ' 47' ' ' LEU . 77.4 t80 -67.65 -51.6 48.08 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.181 -0.303 . . . . 73.52 110.181 178.22 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.29 -43.42 92.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.043 -0.526 . . . . 73.1 110.452 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.61 -46.07 91.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.689 -0.687 . . . . 75.54 111.137 178.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -69.3 -41.85 76.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 71.3 111.375 -178.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -69.85 -31.16 68.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.23 -0.441 . . . . 64.43 110.27 -177.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.0 tp -58.13 -52.54 65.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 72.24 109.802 173.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.0 mt -60.49 -49.15 85.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.42 -0.809 . . . . 75.32 110.965 179.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -56.25 -43.0 78.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.138 0.494 . . . . 72.32 110.884 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.578 ' HE3' ' HB3' ' A' ' 75' ' ' ALA . 8.8 ttp -71.91 -42.07 67.17 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.04 0.448 . . . . 74.31 111.515 -178.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 2.9 tmtp? -69.48 -42.74 74.43 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.079 -0.51 . . . . 63.03 110.586 -178.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -90.84 -64.48 1.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.02 0.378 . . . . 73.24 112.02 -175.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.8 m -70.2 -41.94 73.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.933 0.396 . . . . 72.22 111.613 -173.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 64' ' ' MET . 79.2 mt -83.95 -11.41 56.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.43 -0.35 . . . . 74.31 110.072 178.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 73.4 m 58.11 38.85 26.51 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.717 -0.674 . . . . 71.35 111.761 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.466 ' O ' ' HA ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -100.36 160.2 14.52 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.798 -0.445 . . . . 74.25 109.798 175.442 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.28 161.58 21.41 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.12 -0.326 . . . . 70.23 110.12 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.12 -34.65 78.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.143 0.497 . . . . 73.42 110.063 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m -59.89 -34.62 73.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.39 -0.823 . . . . 73.35 110.091 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -81.88 -39.73 23.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.624 -0.716 . . . . 71.34 110.322 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.578 ' HB3' ' HE3' ' A' ' 64' ' ' MET . . . -60.26 -42.4 95.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.439 -0.801 . . . . 63.45 111.606 -178.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -56.18 -37.31 69.42 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.293 -0.412 . . . . 75.15 111.446 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -63.57 -46.2 86.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.69 0.281 . . . . 72.44 110.816 177.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -71.54 -37.94 71.08 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.231 -0.441 . . . . 74.04 111.078 -176.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.55 -33.83 76.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.007 0.432 . . . . 72.03 110.666 177.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.627 ' O ' HG12 ' A' ' 84' ' ' ILE . 58.1 m -70.78 -19.69 62.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.973 -0.558 . . . . 63.12 112.274 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.652 HG22 ' HE2' ' A' ' 18' ' ' MET . 71.4 p -62.71 -56.16 20.21 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.939 0.4 . . . . 74.31 110.727 -177.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 60.9 mt -64.81 -34.74 72.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.898 -0.592 . . . . 74.31 110.057 177.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 87' ' ' SER . 14.7 tmtt? -59.81 -34.52 73.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.39 -0.823 . . . . 63.44 111.127 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.627 HG12 ' O ' ' A' ' 80' ' ' SER . 46.0 mm -59.81 -44.94 95.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.739 0.304 . . . . 71.41 110.664 177.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -72.7 -42.21 64.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.7 0.286 . . . . 74.22 110.76 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.523 ' O ' HG13 ' A' ' 90' ' ' ILE . 92.2 t -62.95 -43.35 98.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.954 0.407 . . . . 73.44 110.317 178.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.447 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 2.7 m -63.12 -39.15 93.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.756 -0.657 . . . . 53.32 111.282 177.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.84 -32.07 72.34 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.198 0.523 . . . . 73.23 110.561 175.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.43 -22.34 64.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.422 -0.808 . . . . 63.55 111.321 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.638 ' HA ' ' O ' ' A' ' 95' ' ' MET . 67.5 mt -72.69 -36.94 54.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.283 0.563 . . . . 71.32 110.558 178.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -77.71 -43.15 31.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.667 -0.697 . . . . 73.42 111.013 -175.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -146.68 65.4 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.226 0.536 . . . . 74.21 110.172 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -154.83 -102.23 0.2 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.579 -0.82 . . . . 36.38 113.131 176.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -143.51 -43.43 0.28 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.734 0.302 . . . . 75.04 111.283 -172.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.638 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 98.2 mmm -63.29 110.12 1.79 Allowed 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.847 -0.615 . . . . 72.25 110.456 -175.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -93.14 -39.78 10.85 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.88 -0.6 . . . . 74.31 109.558 -177.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -114.94 111.42 21.13 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.484 -0.78 . . . . 64.12 109.889 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.596 ' HB3' ' CD1' ' A' ' 90' ' ' ILE . 2.4 p-10 -71.46 154.71 93.32 Favored Pre-proline 0 N--CA 1.447 -0.6 0 CA-C-N 115.296 -0.866 . . . . 54.03 111.517 -174.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 16.2 Cg_exo -68.44 -15.71 42.23 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.995 2.463 . . . . 64.23 113.465 -176.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.866 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 50.2 p90 -94.59 -16.71 22.99 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.522 -0.471 . . . . 74.2 111.591 -178.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -72.14 -20.56 61.59 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.038 -0.528 . . . . 73.14 110.683 171.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -121.94 17.94 10.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.613 0.72 . . . . 73.02 109.416 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.866 ' HB2' ' HA ' ' A' ' 100' ' ' PHE . 43.2 t80 -77.34 87.2 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.1 -0.955 . . . . 72.32 110.474 -174.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 91.24 29.46 12.47 Favored Glycine 0 C--N 1.314 -0.645 0 CA-C-N 115.582 -0.736 . . . . 50.22 112.324 175.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 81.9 mt -115.38 139.1 50.31 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.794 -0.447 . . . . 70.51 109.794 178.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.59 -69.33 0.21 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.95 -0.568 . . . . 74.54 109.621 175.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.46 ' O ' ' HB2' ' A' ' 108' ' ' HIS . 74.2 t60 54.23 -93.57 0.04 OUTLIER 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.129 -0.941 . . . . 62.53 110.737 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.496 ' HD2' ' HB3' ' A' ' 110' ' ' HIS . 46.9 t60 172.15 84.58 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.017 -0.734 . . . . 72.14 109.017 178.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -66.84 102.8 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.939 -0.763 . . . . 64.14 108.939 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.496 ' HB3' ' HD2' ' A' ' 108' ' ' HIS . 5.4 p80 -121.12 158.14 28.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.15 0.5 . . . . 75.53 112.122 -168.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -67.47 159.13 30.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.949 -1.023 . . . . 73.51 110.279 176.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 80.9 m80 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.413 -0.803 . . . . 75.15 110.591 179.66 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ttt . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.83 0.348 . . . . 70.42 110.693 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -96.7 97.66 9.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.371 0.605 . . . . 64.3 111.275 -174.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -79.51 149.78 72.29 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.409 -0.814 . . . . 75.31 109.397 171.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -44.53 -42.11 14.22 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.522 2.815 . . . . 75.42 113.825 -174.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m 59.54 23.08 11.72 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.547 0.689 . . . . 75.1 110.576 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -106.79 14.96 26.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.163 -0.926 . . . . 73.42 109.474 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.91 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 38.2 m-85 -66.34 133.52 50.7 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 114.423 -1.262 . . . . 73.42 110.395 -177.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.433 ' HG3' ' OD2' ' A' ' 12' ' ' ASP . 36.2 mttp -61.69 -35.51 78.2 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.016 -0.993 . . . . 64.32 111.953 -174.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.2 m -165.73 -175.25 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.693 -0.484 . . . . 74.21 109.693 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.519 ' O ' HG23 ' A' ' 14' ' ' VAL . 30.0 p90 -52.85 -40.99 63.84 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 123.183 0.302 . . . . 74.15 111.44 178.198 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -62.18 -27.31 68.88 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.051 0.453 . . . . 75.22 110.89 -177.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.91 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -79.72 -40.61 28.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.72 -0.673 . . . . 63.32 109.908 -175.189 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -65.33 -41.87 93.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.573 -0.74 . . . . 74.31 109.377 176.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 10' ' ' PHE . 79.0 t -56.56 -51.71 62.13 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 CA-C-N 115.544 -0.753 . . . . 75.42 110.796 178.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.06 -34.13 71.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.447 -0.342 . . . . 73.32 111.52 -176.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.3 t -68.56 -46.09 70.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.342 -0.39 . . . . 72.25 110.935 -178.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -78.16 -30.5 49.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.041 0.448 . . . . 71.13 110.617 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.448 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 33.4 tpp -60.7 -29.34 69.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.949 -0.569 . . . . 75.24 110.742 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -58.1 -36.61 73.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 65.13 110.701 175.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 m -76.41 -27.89 56.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.488 0.661 . . . . 71.11 110.605 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -86.98 -11.16 51.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.817 -0.629 . . . . 75.12 110.859 -176.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.42 ' HA ' ' HB2' ' A' ' 25' ' ' LEU . 87.4 p -68.56 -10.09 53.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 72.12 111.929 -176.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -57.28 -26.68 61.21 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 111.808 0.299 . . . . 73.2 111.808 -176.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -120.93 29.47 7.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.957 0.408 . . . . 73.02 110.866 175.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.467 HD21 ' HA ' ' A' ' 30' ' ' PHE . 2.6 mp -129.71 124.32 33.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.176 -0.465 . . . . 73.43 110.97 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -77.07 160.13 29.31 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.83 -0.433 . . . . 63.31 109.83 173.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.4 mm -55.38 -41.34 61.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 123.242 0.339 . . . . 65.31 111.737 -176.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.488 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -55.07 -54.88 31.04 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 116.125 -0.489 . . . . 71.34 112.881 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.1 t -76.68 -29.25 56.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.697 0.284 . . . . 72.54 110.988 -178.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.467 ' HA ' HD21 ' A' ' 25' ' ' LEU . 91.7 t80 -59.44 -54.44 46.61 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.394 -0.366 . . . . 75.14 110.587 179.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.606 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 27.5 ptt180 -76.7 -20.39 56.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.323 . . . . 72.54 110.776 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.488 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 8.2 t60 -57.31 -33.76 68.04 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 116.089 -0.505 . . . . 73.52 110.979 -177.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -118.09 21.22 12.9 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.307 0.575 . . . . 74.42 110.091 177.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.606 ' HB3' ' HA ' ' A' ' 31' ' ' ARG . 76.4 tttt -95.13 -43.75 7.96 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.425 -0.807 . . . . 61.43 110.217 179.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.9 p -76.27 -26.93 56.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.47 -0.786 . . . . 73.32 112.085 -176.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.8 m -53.21 -69.84 0.11 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.442 0.534 . . . . 73.44 112.442 -174.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -66.3 -25.47 66.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 71.33 111.415 -177.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -67.73 -51.28 51.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.245 0.545 . . . . 73.22 110.308 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.448 ' HB3' ' HE2' ' A' ' 39' ' ' LYS . 2.9 tmmm? -66.3 -27.79 68.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.124 -0.944 . . . . 73.34 110.765 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -77.75 -2.19 35.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.985 -0.552 . . . . 73.22 111.787 -175.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -74.77 76.95 2.08 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.443 0.639 . . . . 64.43 110.36 177.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -63.61 -43.49 96.73 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.046 -0.979 . . . . 73.12 110.122 173.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -137.5 172.36 13.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.474 -0.784 . . . . 73.54 109.281 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.0 m -84.67 129.36 34.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.833 0.349 . . . . 74.51 111.045 -177.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -149.88 115.78 5.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.757 -0.656 . . . . 75.35 109.274 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -81.16 -50.53 5.09 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.755 -0.736 . . . . 75.55 111.867 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.494 ' HG ' ' HB2' ' A' ' 51' ' ' GLU . 9.7 tt 67.91 109.29 0.05 OUTLIER 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.172 0.589 . . . . 74.44 110.482 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -82.19 -179.72 7.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.165 -0.47 . . . . 75.22 110.696 -178.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -62.62 -36.65 83.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.901 -0.591 . . . . 73.35 112.194 -173.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -79.88 -9.48 59.68 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.691 -0.404 . . . . 73.15 111.684 -174.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.494 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . 2.3 mp0 -88.02 -20.25 26.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.968 0.413 . . . . 75.02 110.294 175.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.16 86.76 7.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.399 0.618 . . . . 65.12 109.434 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.471 ' O ' HD23 ' A' ' 57' ' ' LEU . 39.8 p -126.84 178.48 5.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.827 -0.624 . . . . 70.02 110.83 -177.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.545 ' OE2' ' HD3' ' A' ' 58' ' ' ARG . 2.4 tm-20 -58.95 -31.8 69.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.806 -0.634 . . . . 73.0 110.193 176.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -62.34 -48.69 78.7 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 115.717 -0.674 . . . . 73.22 110.704 177.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -61.07 -44.04 97.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.55 -0.296 . . . . 72.33 110.507 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.542 HD12 HD21 ' A' ' 79' ' ' LEU . 3.9 mm? -58.55 -50.5 73.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.138 -0.483 . . . . 74.3 111.322 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.545 ' HD3' ' OE2' ' A' ' 54' ' ' GLU . 13.9 ptt180 -73.57 -26.43 60.82 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.609 -0.436 . . . . 73.54 110.995 -176.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -74.64 -44.19 51.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.722 0.296 . . . . 73.44 111.037 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -64.18 -31.76 73.08 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.698 -0.482 . . . . 74.04 109.698 -178.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.3 tp -57.39 -53.28 59.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.477 -0.783 . . . . 75.34 110.392 173.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 64.5 mt -67.24 -40.97 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.833 -0.621 . . . . 74.31 110.431 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -54.71 -47.49 73.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.628 -0.715 . . . . 75.52 110.459 177.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.53 ' HE1' ' HA ' ' A' ' 75' ' ' ALA . 5.2 ttp -71.56 -38.45 70.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.892 -0.595 . . . . 72.3 111.158 179.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.52 ' HE2' ' HA ' ' A' ' 71' ' ' ALA . 6.1 tmtt? -63.52 -40.55 97.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.996 -0.547 . . . . 65.12 110.735 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -84.36 -62.9 1.44 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.217 -0.447 . . . . 73.21 111.751 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.5 m -70.29 -38.26 74.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.207 -0.451 . . . . 71.0 112.017 -174.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.459 ' HB3' HD21 ' A' ' 70' ' ' ASN . 66.1 mt -99.32 -8.02 25.49 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 121.09 -0.244 . . . . 75.2 111.557 -176.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 61.4 m 65.83 9.64 6.21 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.435 0.531 . . . . 73.41 112.435 176.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.488 ' O ' ' HA ' ' A' ' 65' ' ' LYS . 39.2 m-80 -83.4 149.52 26.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.911 0.386 . . . . 64.51 111.114 -177.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.52 ' HA ' ' HE2' ' A' ' 65' ' ' LYS . . . -86.58 174.11 9.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.953 -0.567 . . . . 74.53 111.044 -177.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -56.55 -36.92 69.84 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.205 -0.452 . . . . 65.01 111.18 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.9 p -54.72 -51.19 66.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.054 -0.521 . . . . 63.13 111.247 -178.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.8 m -69.47 -46.11 67.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.985 -0.552 . . . . 72.41 110.32 177.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.53 ' HA ' ' HE1' ' A' ' 64' ' ' MET . . . -57.21 -40.66 77.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.81 -0.632 . . . . 74.13 112.302 -176.203 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -62.36 -33.27 74.41 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 120.724 0.297 . . . . 73.32 111.289 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 77' ' ' ARG . 58.7 mtt180 -69.3 -38.96 78.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.135 0.493 . . . . 71.22 110.539 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.511 ' HB2' ' HE3' ' A' ' 64' ' ' MET . 18.3 m120 -67.48 -46.76 72.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.768 -0.651 . . . . 72.42 110.369 176.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 57' ' ' LEU . 96.0 mt -63.9 -34.72 78.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.964 -0.562 . . . . 72.43 110.571 178.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.65 ' O ' HG12 ' A' ' 84' ' ' ILE . 23.2 t -62.22 -37.35 85.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 63.15 110.139 176.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.5 m -68.23 -36.87 80.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.182 -0.463 . . . . 64.42 110.347 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 89.2 mt -65.61 -49.69 76.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.879 -0.6 . . . . 73.02 110.688 176.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.603 ' HG3' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -60.27 -27.98 67.7 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-O 119.425 -0.322 . . . . 75.32 111.394 -179.528 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.65 HG12 ' O ' ' A' ' 80' ' ' SER . 37.3 mm -57.1 -54.95 23.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 117.841 0.291 . . . . 72.4 111.255 174.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -73.69 -33.19 64.3 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 120.662 -0.415 . . . . 63.41 110.485 -175.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.52 ' O ' HG13 ' A' ' 90' ' ' ILE . 92.7 t -65.53 -41.71 91.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.17 0.51 . . . . 64.42 110.033 175.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.451 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 3.1 m -63.08 -29.14 70.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.503 -0.771 . . . . 54.53 111.374 178.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.2 -34.41 77.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.195 0.521 . . . . 74.15 110.164 174.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.62 -23.43 49.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.56 -0.745 . . . . 72.23 110.669 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 86' ' ' VAL . 51.1 mt -81.78 -30.94 10.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.218 0.532 . . . . 72.21 110.122 175.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -64.84 -45.88 84.26 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.67 -0.696 . . . . 73.22 110.661 -177.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -167.72 68.98 0.09 Allowed 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.469 0.652 . . . . 70.53 109.74 172.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -130.76 -85.2 0.34 Allowed Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.361 -0.836 . . . . 74.22 111.627 176.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -160.08 -19.26 0.06 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.047 -0.261 . . . . 75.13 111.335 -177.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 97.4 mmm -56.8 135.06 55.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.065 0.46 . . . . 74.34 111.259 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -86.71 -46.3 10.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.75 -0.659 . . . . 74.11 110.66 -178.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -135.17 164.95 26.52 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.657 -0.702 . . . . 75.11 109.433 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.628 ' OD2' ' HB2' ' A' ' 101' ' ' LYS . 5.1 p-10 -96.1 144.48 27.9 Favored Pre-proline 0 C--N 1.318 -0.794 0 N-CA-C 109.923 -0.399 . . . . 71.33 109.923 177.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -77.08 -18.42 14.46 Favored 'Trans proline' 0 CA--C 1.529 0.275 0 C-N-CA 122.54 2.16 . . . . 70.32 113.199 -176.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -85.59 -13.88 47.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.221 0.534 . . . . 74.32 111.443 -176.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.628 ' HB2' ' OD2' ' A' ' 98' ' ' ASP . 1.5 tmmt? -72.13 -33.94 68.18 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.599 -0.728 . . . . 65.14 109.854 174.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -90.84 -4.01 56.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.761 -0.654 . . . . 74.2 111.371 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -75.02 69.79 1.96 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.329 0.585 . . . . 72.23 111.511 -172.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 67.93 9.42 56.54 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.655 -0.702 . . . . 70.24 113.769 175.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 85.1 mt -100.93 4.17 42.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.974 0.387 . . . . 75.32 110.992 -177.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.94 126.78 41.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.079 -0.51 . . . . 71.21 109.773 179.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -135.03 51.46 2.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.748 0.785 . . . . 72.0 109.49 178.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.447 ' HE1' ' HA ' ' A' ' 111' ' ' HIS . 54.1 t60 -75.77 97.93 4.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.259 -0.882 . . . . 72.5 110.377 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -107.56 112.76 25.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.395 -0.82 . . . . 74.31 109.993 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 69.02 120.12 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.971 0.795 . . . . 74.33 111.029 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.447 ' HA ' ' HE1' ' A' ' 108' ' ' HIS . 72.7 t60 -67.6 127.62 33.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.128 -0.487 . . . . 74.21 109.82 175.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.671 -0.68 . . . . 70.11 109.884 179.077 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.402 ' HG3' ' OD1' ' A' ' 2' ' ' ASN . 25.8 ptt? . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.394 0.14 . . . . 74.43 111.34 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.402 ' OD1' ' HG3' ' A' ' 1' ' ' MET . 5.6 m-20 -121.34 170.65 9.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.906 0.384 . . . . 62.41 110.774 -176.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.407 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 19.5 t-20 -91.69 142.72 26.99 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 108.607 -0.886 . . . . 73.22 108.607 171.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 3' ' ' ASN . 12.5 Cg_exo -71.05 71.64 2.16 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.476 2.117 . . . . 75.0 111.8 178.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 t -149.49 106.79 3.61 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.044 0.45 . . . . 73.11 111.324 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -111.34 2.8 17.82 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.352 -0.981 . . . . 74.41 108.352 168.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.687 ' HA ' ' CB ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -99.0 116.17 30.62 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.147 -1.388 . . . . 74.12 113.232 -174.316 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 mttp -106.61 -23.92 12.31 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 113.289 -1.778 . . . . 75.34 108.49 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 m -135.95 174.22 10.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.683 -1.144 . . . . 72.3 110.387 -178.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.505 ' O ' HG23 ' A' ' 14' ' ' VAL . 41.8 p90 -58.63 -38.8 78.84 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.333 -0.394 . . . . 74.4 111.673 -178.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.482 ' HD2' ' SD ' ' A' ' 37' ' ' MET . 2.7 t-80 -56.01 -40.7 73.77 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.258 0.552 . . . . 72.04 110.847 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.687 ' CB ' ' HA ' ' A' ' 7' ' ' PHE . 6.9 m-20 -73.63 -42.09 61.91 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.216 -0.902 . . . . 75.14 110.266 -171.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.56 -41.94 92.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.452 -0.795 . . . . 74.23 110.416 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 10' ' ' PHE . 88.5 t -60.29 -40.04 82.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.241 -0.436 . . . . 72.45 110.355 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.587 ' O ' ' HG3' ' A' ' 19' ' ' LYS . . . -63.19 -39.22 94.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.7 -0.682 . . . . 51.45 111.319 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.6 t -57.29 -42.36 81.54 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.87 0.367 . . . . 75.22 110.561 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -76.78 -44.36 33.12 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.161 -0.472 . . . . 73.41 110.793 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.432 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 41.1 ttm -64.6 -28.73 69.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.961 -0.563 . . . . 72.14 111.705 -175.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.587 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 96.6 mttt -48.62 -54.76 13.37 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.985 0.421 . . . . 73.32 110.952 175.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.5 m -76.28 -31.67 58.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.343 0.592 . . . . 73.35 110.745 -179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.432 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 22.0 t80 -76.44 -12.73 60.09 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.568 -0.742 . . . . 73.32 111.718 -173.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.7 p -62.99 -18.35 63.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.541 -0.299 . . . . 65.23 111.214 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 -60.99 -29.04 69.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.38 . . . . 73.42 110.817 176.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.0 mtp85 -104.75 9.84 34.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.043 -0.526 . . . . 64.44 110.81 -177.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 mp -114.77 125.63 53.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.123 -0.489 . . . . 73.12 110.377 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.28 152.71 28.4 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 109.418 -0.586 . . . . 52.34 109.418 173.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.0 mm -62.36 -36.04 72.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 116.334 -0.394 . . . . 53.45 110.221 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.45 -55.29 30.43 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 116.122 -0.49 . . . . 61.31 113.075 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.5 t -64.02 -41.32 97.47 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 117.217 0.508 . . . . 62.43 111.0 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.34 -43.33 99.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.247 0.546 . . . . 62.52 110.749 178.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.547 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 56.1 ttt180 -72.93 -32.84 65.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.695 -0.684 . . . . 70.53 111.809 -174.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -51.25 -44.2 61.69 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.955 0.407 . . . . 75.12 111.886 -177.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.501 ' CE1' ' HA ' ' A' ' 78' ' ' ASN . 6.3 t-80 -119.94 19.94 12.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.202 0.525 . . . . 75.42 110.311 -174.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.547 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 9.1 tmtt? -61.36 -68.91 0.27 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.032 -0.985 . . . . 73.5 111.598 -174.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.1 m -66.92 -35.41 79.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.015 -0.538 . . . . 74.34 111.031 -176.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 83.9 m -55.15 -53.67 52.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.423 -0.808 . . . . 63.24 111.816 -177.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.482 ' SD ' ' HD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -54.7 -38.39 66.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.823 -0.626 . . . . 72.54 111.35 -176.669 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -76.54 -51.62 11.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.063 0.458 . . . . 72.3 110.821 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.564 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.3 OUTLIER -61.04 -36.58 79.94 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.038 -0.983 . . . . 75.53 111.01 -176.24 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.457 ' HZ ' ' HG3' ' A' ' 64' ' ' MET . 45.8 t80 -66.93 -18.36 65.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.156 -0.474 . . . . 72.14 111.851 -174.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.674 ' HE2' ' HD1' ' A' ' 43' ' ' TYR . 84.0 tttt -75.73 82.55 2.7 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.488 0.661 . . . . 74.41 110.561 -177.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -76.29 -3.25 35.63 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.017 -0.992 . . . . 62.13 110.864 174.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.674 ' HD1' ' HE2' ' A' ' 41' ' ' LYS . 10.9 t80 66.68 22.25 10.45 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.677 -0.692 . . . . 74.53 110.956 176.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.2 m -67.12 -31.84 72.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.022 -0.535 . . . . 70.13 111.01 178.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -144.48 139.8 28.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.801 0.334 . . . . 74.32 110.604 -177.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.75 56.87 0.71 Allowed Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.305 -0.718 . . . . 64.03 111.305 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.438 ' HG ' ' CZ ' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -68.98 163.1 25.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.84 0.352 . . . . 60.31 111.504 -179.204 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -102.62 163.7 12.07 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.965 -0.562 . . . . 41.42 110.783 -175.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -74.39 -19.35 60.46 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.868 0.692 . . . . 74.23 112.868 -168.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -77.84 -17.88 56.91 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.232 -0.587 . . . . 73.13 109.517 176.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -91.6 -8.12 48.22 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.75 -0.659 . . . . 74.31 109.73 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.416 ' CD1' ' HG3' ' A' ' 99' ' ' PRO . 1.6 tm? -74.32 90.93 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.264 -0.88 . . . . 72.31 109.332 -179.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.464 ' O ' HD21 ' A' ' 57' ' ' LEU . 21.6 p -126.7 175.0 8.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.94 -0.573 . . . . 71.12 111.496 -174.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.482 ' CD ' ' H ' ' A' ' 54' ' ' GLU . 4.1 mp0 -53.47 -43.82 68.45 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 115.978 -0.555 . . . . 72.22 110.227 178.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -57.13 -49.0 77.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.213 -0.903 . . . . 75.22 111.077 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.438 ' CZ ' ' HG ' ' A' ' 47' ' ' LEU . 64.2 t80 -62.0 -47.11 86.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 64.44 110.309 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.464 HD21 ' O ' ' A' ' 53' ' ' THR . 4.0 mm? -57.65 -44.63 85.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.47 -0.332 . . . . 73.4 111.468 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -63.24 -47.15 83.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.425 . . . . 74.3 111.002 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -73.07 -40.08 65.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.857 0.36 . . . . 71.3 111.087 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -67.34 -32.48 73.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.211 -0.45 . . . . 72.32 110.543 -177.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.8 tp -55.19 -51.36 66.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.24 0.543 . . . . 64.33 110.034 174.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 47.9 mm -67.02 -48.1 80.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.446 -0.797 . . . . 60.4 110.472 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -55.61 -44.57 77.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.769 -0.651 . . . . 75.33 111.14 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.652 ' HE1' ' HB3' ' A' ' 75' ' ' ALA . 15.4 ttp -65.68 -48.42 72.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.859 -0.61 . . . . 75.23 111.683 -178.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.588 ' HA ' ' HB2' ' A' ' 70' ' ' ASN . 15.7 pttt -75.53 -29.61 59.5 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.688 -0.405 . . . . 73.42 111.793 -176.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -93.82 -64.34 1.09 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.839 0.352 . . . . 73.33 111.693 -176.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 m -72.35 -32.78 66.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.32 -0.4 . . . . 71.21 111.517 -172.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 64' ' ' MET . 86.9 mt -96.23 -1.1 48.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.37 -0.377 . . . . 75.23 110.843 -179.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.1 t 62.4 84.09 0.15 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.658 -0.701 . . . . 52.43 111.847 177.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.588 ' HB2' ' HA ' ' A' ' 65' ' ' LYS . 49.6 m-80 -146.35 178.82 7.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 74.04 109.836 178.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -114.7 173.4 6.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.32 -0.4 . . . . 73.42 109.981 177.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -58.92 -48.81 80.14 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.375 0.422 . . . . 75.35 110.899 -177.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.497 ' O ' ' HG3' ' A' ' 77' ' ' ARG . 40.5 t -58.02 -49.75 75.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.058 -0.519 . . . . 75.43 110.587 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.5 m -56.41 -46.87 79.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.024 0.44 . . . . 74.24 110.729 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.652 ' HB3' ' HE1' ' A' ' 64' ' ' MET . . . -62.65 -46.79 86.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.659 -0.7 . . . . 71.42 111.644 -177.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -63.15 -40.31 97.2 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 120.912 0.387 . . . . 72.11 111.368 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 73' ' ' SER . 66.8 mtt-85 -66.75 -35.08 79.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.127 0.489 . . . . 74.1 110.896 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.501 ' HA ' ' CE1' ' A' ' 33' ' ' HIS . 96.8 m-20 -63.48 -51.18 66.67 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.828 -0.624 . . . . 72.23 111.034 174.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.416 ' HG ' ' HE3' ' A' ' 64' ' ' MET . 94.3 mt -68.39 -34.88 76.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.857 -0.611 . . . . 73.51 112.363 -175.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.53 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 11.8 p -66.26 -18.66 65.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.754 0.311 . . . . 75.53 111.721 -177.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.3 m -75.42 -33.88 60.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.102 0.477 . . . . 71.14 110.359 174.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 55.7 mt -69.65 -41.92 80.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.619 . . . . 75.42 110.746 -178.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -59.33 -28.91 67.24 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.264 -0.425 . . . . 75.25 111.629 -177.895 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 63.3 mt -60.09 -48.45 87.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.772 -0.371 . . . . 64.11 110.095 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -73.31 -39.83 64.98 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 120.468 -0.493 . . . . 74.1 110.686 177.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.477 HG13 ' SD ' ' A' ' 95' ' ' MET . 53.4 t -56.79 -45.09 82.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.411 0.624 . . . . 44.01 110.322 177.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.479 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 1.3 m -62.34 -36.17 81.38 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.066 -0.97 . . . . 45.34 111.319 176.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.38 -30.72 60.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.391 . . . . 64.23 111.136 176.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.63 -22.91 66.11 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.996 -0.547 . . . . 70.31 111.119 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.606 ' HA ' ' O ' ' A' ' 95' ' ' MET . 78.0 mt -75.54 -30.46 22.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.286 0.565 . . . . 73.41 110.146 175.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -78.29 -45.21 23.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.816 -0.629 . . . . 65.11 111.004 -177.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -153.41 66.58 0.76 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.47 0.653 . . . . 75.34 110.709 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -145.19 -90.62 0.11 Allowed Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.362 -0.923 . . . . 44.1 112.311 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -163.85 -29.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.778 0.323 . . . . 74.51 110.844 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.606 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 89.1 mtp -78.62 153.71 30.85 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 116.379 -0.373 . . . . 63.54 110.272 -178.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -122.36 -41.96 2.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.212 0.53 . . . . 74.34 110.271 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -118.0 123.09 44.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.857 -0.61 . . . . 71.55 109.852 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 101' ' ' LYS . 5.2 p-10 -78.82 149.14 73.68 Favored Pre-proline 0 N--CA 1.448 -0.534 0 CA-C-N 116.297 -0.41 . . . . 72.34 110.185 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.416 ' HG3' ' CD1' ' A' ' 52' ' ' LEU . 31.5 Cg_endo -62.94 -21.21 73.03 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 123.06 2.507 . . . . 74.34 112.718 -178.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.436 ' HA ' ' HB3' ' A' ' 103' ' ' PHE . 81.1 m-85 -83.3 -0.38 49.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.128 -0.487 . . . . 72.41 111.424 -177.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -57.47 -51.22 70.33 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.949 -0.569 . . . . 52.33 110.272 175.545 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -98.51 -24.56 15.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.773 -0.649 . . . . 72.12 110.822 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.436 ' HB3' ' HA ' ' A' ' 100' ' ' PHE . 56.6 t80 -77.09 77.55 3.63 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.697 -0.683 . . . . 73.33 110.353 -177.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 160.42 -121.81 1.07 Allowed Glycine 0 N--CA 1.44 -1.09 0 N-CA-C 110.989 -0.844 . . . . 63.21 110.989 176.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 93.9 mt 54.97 81.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 123.12 0.568 . . . . 54.04 110.988 -178.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.81 38.3 1.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.016 -0.538 . . . . 74.52 111.13 -179.355 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -147.2 161.01 41.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.825 -0.625 . . . . 72.32 110.573 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 69.19 98.09 0.06 Allowed 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.998 0.811 . . . . 74.14 112.236 175.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -143.0 52.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.477 0.656 . . . . 70.35 110.87 171.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -120.31 68.92 0.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.655 -0.702 . . . . 72.53 109.612 173.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -94.5 98.99 11.24 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.422 -0.584 . . . . 72.45 109.422 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 . . . . . 0 C--N 1.317 -0.845 0 CA-C-O 118.411 -0.804 . . . . 73.12 109.621 -179.193 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.1 ttp . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 120.598 0.237 . . . . 64.41 111.112 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -64.77 -60.0 3.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 74.34 111.605 -174.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -134.45 87.2 33.05 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 121.085 0.469 . . . . 74.11 111.809 -178.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -77.13 -164.13 0.25 Allowed 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 122.999 2.466 . . . . 72.34 110.975 174.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 m -74.57 90.76 2.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.371 0.605 . . . . 72.33 109.999 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -103.28 14.53 31.37 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.866 0.841 . . . . 72.41 109.819 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.454 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 63.7 m-85 -69.66 145.82 52.11 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.579 -1.191 . . . . 75.23 110.576 -178.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.671 ' HZ2' ' HB2' ' A' ' 8' ' ' LYS . 10.5 mtmp? -55.57 -47.8 75.83 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.234 -0.894 . . . . 75.24 111.848 -177.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.7 p -161.36 -169.18 2.22 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.065 -0.346 . . . . 74.52 110.065 -174.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.625 ' O ' HG21 ' A' ' 14' ' ' VAL . 24.8 p90 -57.72 -38.64 75.64 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 116.254 -0.43 . . . . 74.45 109.983 174.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -62.55 -38.45 90.08 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.087 0.47 . . . . 74.42 110.632 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.454 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 17.0 t0 -77.08 -33.79 57.05 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.601 -0.727 . . . . 53.41 109.793 -178.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -67.86 -38.53 83.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.452 -0.795 . . . . 75.51 110.014 175.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.729 HG22 ' HB2' ' A' ' 85' ' ' TYR . 53.1 t -54.75 -43.55 67.19 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 CA-C-N 116.091 -0.504 . . . . 73.24 110.388 176.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.2 -33.89 71.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 62.14 111.185 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.7 t -68.29 -46.21 70.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.239 -0.437 . . . . 72.13 110.919 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -78.09 -33.04 50.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 75.14 110.764 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.705 ' HG3' ' CE2' ' A' ' 21' ' ' TYR . 31.6 ttm -58.51 -31.36 67.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 73.31 110.366 179.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -49.94 -35.76 25.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.391 -0.822 . . . . 61.15 110.914 176.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 47.4 m -66.67 -57.74 6.56 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.223 0.453 . . . . 54.01 112.223 -176.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.705 ' CE2' ' HG3' ' A' ' 18' ' ' MET . 7.7 p90 -77.08 -22.49 52.73 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.667 -0.413 . . . . 64.31 111.367 -174.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.4 m -68.16 -10.41 54.0 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.913 0.387 . . . . 72.43 110.699 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -54.71 -35.1 63.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.71 -0.677 . . . . 72.31 111.062 176.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -114.07 18.25 17.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.221 0.534 . . . . 74.41 110.989 -177.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.3 tp -97.06 131.48 43.81 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.335 -0.617 . . . . 71.11 109.335 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.481 ' HG3' ' H ' ' A' ' 29' ' ' THR . 12.7 pt-20 -59.92 148.12 36.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.329 -0.396 . . . . 75.23 110.231 177.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.6 mm -62.42 -32.47 55.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.714 -0.675 . . . . 64.34 110.532 -176.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -57.0 -58.06 16.54 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.746 -0.661 . . . . 75.11 112.824 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.481 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 7.1 t -75.52 -34.93 60.83 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.946 0.373 . . . . 63.23 111.109 -176.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -53.98 -48.84 69.93 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 120.941 0.401 . . . . 74.42 110.898 174.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -75.15 -30.13 60.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.093 -0.503 . . . . 75.14 110.636 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 79.8 t60 -67.4 -12.45 60.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.594 -0.73 . . . . 74.34 111.703 -175.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -113.86 5.13 16.14 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.349 -0.54 . . . . 74.41 111.437 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -68.22 -55.13 13.33 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.579 0.228 . . . . 72.23 111.577 -178.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.9 m -64.8 -28.62 69.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.031 0.443 . . . . 51.12 110.919 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.9 m -67.07 -48.07 69.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.814 -0.63 . . . . 73.45 111.046 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.594 ' HG2' HG23 ' A' ' 81' ' ' THR . 91.8 mtp -62.76 -26.81 68.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.101 -0.5 . . . . 63.22 111.741 178.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.443 ' HD2' ' HA ' ' A' ' 38' ' ' ARG . 2.7 tpt180 -73.51 -44.08 58.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.149 0.425 . . . . 73.14 112.149 -172.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.532 ' HB2' ' HZ2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -61.41 -6.89 2.55 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.857 1.058 . . . . 62.41 113.857 -171.144 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.653 ' HD1' ' HH ' ' A' ' 60' ' ' TYR . 78.4 t80 -61.35 -32.32 72.22 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.339 -0.615 . . . . 72.45 109.339 174.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt 60.35 87.87 0.08 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 114.868 -1.06 . . . . 74.15 112.039 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -121.66 145.96 47.48 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 109.564 -0.532 . . . . 74.32 109.564 170.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -157.91 -37.43 0.07 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.021 -0.536 . . . . 65.45 110.997 -172.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 76.4 m -128.45 130.02 46.96 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.216 -0.661 . . . . 75.51 109.216 175.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 59.42 -155.86 0.35 Allowed 'General case' 0 CA--C 1.531 0.218 0 O-C-N 123.685 0.616 . . . . 73.11 110.663 -177.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -170.18 -124.36 0.74 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.75 -0.738 . . . . 72.45 112.116 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.7 tp -135.27 140.5 45.24 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.362 -0.607 . . . . 75.44 109.362 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.47 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 2.1 mp0 -85.59 174.35 9.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.843 0.354 . . . . 55.33 110.521 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -71.05 -52.77 17.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.924 -0.58 . . . . 71.51 111.61 -174.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -78.31 8.25 5.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.486 -0.325 . . . . 75.22 111.682 -175.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.47 ' HG2' ' HB2' ' A' ' 48' ' ' GLN . 6.9 mm-40 -93.1 -11.59 32.56 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.343 -0.614 . . . . 75.31 109.343 176.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.52 ' HG ' HG21 ' A' ' 86' ' ' VAL . 1.5 tm? -97.53 100.9 12.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.449 -0.796 . . . . 72.32 109.848 -177.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.5 p -127.29 178.08 6.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.105 -0.498 . . . . 74.44 110.765 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.675 ' HG2' ' HB2' ' A' ' 102' ' ' ASP . 2.1 mp0 -59.87 -35.7 75.36 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.983 0.421 . . . . 64.43 110.427 177.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.05 -41.95 97.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.722 -0.672 . . . . 72.25 110.316 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -61.52 -48.62 80.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.066 -0.516 . . . . 65.21 110.463 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.44 -45.27 92.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 71.45 111.234 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -67.92 -44.88 75.87 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.1 -0.5 . . . . 60.15 111.182 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -62.53 -43.42 98.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.311 -0.404 . . . . 42.13 110.722 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.653 ' HH ' ' HD1' ' A' ' 40' ' ' PHE . 9.0 t80 -67.69 -33.06 74.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 74.33 110.136 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.518 HD23 ' HZ ' ' A' ' 103' ' ' PHE . 53.4 tp -58.9 -48.0 82.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 73.31 110.066 174.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 74.2 mt -59.56 -44.11 92.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.578 -0.737 . . . . 72.23 110.474 175.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -55.75 -43.53 76.74 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.154 0.502 . . . . 74.51 110.708 175.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.523 ' O ' ' HB2' ' A' ' 68' ' ' LEU . 4.0 tpp -66.39 -45.66 79.27 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.736 -0.666 . . . . 74.41 110.858 -179.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 69' ' ' CYS . 13.2 tmtt? -71.66 -48.24 48.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.053 -0.522 . . . . 64.14 110.908 -177.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -82.97 -61.84 1.76 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.416 -0.357 . . . . 72.42 111.083 -172.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.7 m -72.02 -42.71 66.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.466 -0.334 . . . . 71.44 111.807 -172.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.523 ' HB2' ' O ' ' A' ' 64' ' ' MET . 90.3 mt -86.04 -19.05 30.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.689 -0.232 . . . . 65.41 111.195 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 10.0 t 64.73 34.9 9.19 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 123.677 0.611 . . . . 72.44 110.39 -179.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.499 ' HB2' ' HG3' ' A' ' 64' ' ' MET . 13.2 m120 -97.26 149.9 21.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.125 -0.488 . . . . 63.33 110.725 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.86 172.47 13.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.13 -0.486 . . . . 75.42 111.118 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -55.98 -47.97 76.71 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.924 -0.58 . . . . 71.51 111.378 -177.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.1 m -57.22 -46.98 82.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.759 -0.655 . . . . 65.11 110.963 -177.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.5 m -64.51 -42.21 95.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.989 -0.55 . . . . 74.54 110.857 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.422 ' CB ' ' HG2' ' A' ' 64' ' ' MET . . . -62.35 -47.84 82.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.896 -0.593 . . . . 74.35 111.717 -177.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -62.77 -47.47 83.38 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.347 -0.388 . . . . 71.21 111.734 -175.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -68.11 -24.8 65.06 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.918 -0.313 . . . . 52.11 111.402 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -73.74 -40.62 63.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.936 0.398 . . . . 64.41 110.276 173.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.4 mt -68.15 -28.86 67.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.033 -0.53 . . . . 60.34 110.88 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.725 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 75.5 m -54.53 -24.99 23.11 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.563 0.579 . . . . 55.54 112.563 177.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.594 HG23 ' HG2' ' A' ' 37' ' ' MET . 72.7 p -60.49 -53.33 58.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.048 0.451 . . . . 60.53 110.562 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 83.7 mt -70.41 -32.91 51.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.794 -0.639 . . . . 71.43 110.265 176.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.725 ' HB2' ' HA ' ' A' ' 80' ' ' SER . 25.8 mmtp -53.63 -51.63 62.47 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.372 -0.376 . . . . 72.24 111.348 176.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 80' ' ' SER . 72.7 mt -62.96 -34.51 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.883 0.373 . . . . 74.14 110.998 -178.012 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.729 ' HB2' HG22 ' A' ' 14' ' ' VAL . 83.4 t80 -70.2 -53.85 15.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.01 -0.541 . . . . 64.53 110.405 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.651 ' O ' HG13 ' A' ' 90' ' ' ILE . 78.5 t -64.1 -45.52 96.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.777 -0.647 . . . . 73.21 110.558 -178.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.577 ' HA ' HD13 ' A' ' 90' ' ' ILE . 4.4 m -57.62 -36.86 72.35 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.409 -0.359 . . . . 72.44 111.756 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.32 -32.82 69.04 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.204 0.526 . . . . 45.13 110.586 177.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.84 -23.07 55.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.795 -0.639 . . . . 64.33 111.103 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.651 HG13 ' O ' ' A' ' 86' ' ' VAL . 88.4 mt -74.83 -31.68 26.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.01 -0.541 . . . . 74.21 110.838 179.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.451 ' HD3' ' HA ' ' A' ' 91' ' ' LYS . 69.4 mmtt -75.46 -45.3 39.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.366 -0.379 . . . . 64.31 111.042 -175.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -163.63 71.8 0.26 Allowed 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.404 0.621 . . . . 74.54 110.184 173.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -139.36 -65.25 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.489 -0.778 . . . . 64.42 111.612 176.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -166.58 -36.78 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.007 0.432 . . . . 74.13 110.171 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 97.3 mmm -68.86 149.8 48.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.894 -0.594 . . . . 64.13 110.367 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -129.19 -47.59 1.21 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.386 0.612 . . . . 75.44 109.911 -177.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -98.06 120.8 39.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.682 -0.69 . . . . 61.33 109.343 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.563 ' HB3' HD12 ' A' ' 90' ' ' ILE . 4.1 p-10 -77.43 150.22 79.5 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 116.335 -0.393 . . . . 74.42 110.31 -177.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -85.34 -3.49 9.4 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.807 2.338 . . . . 65.44 113.186 -178.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.408 ' HB3' ' HE2' ' A' ' 83' ' ' LYS . 38.9 p90 -94.98 -27.91 15.41 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.385 -0.526 . . . . 75.22 112.27 -174.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.507 ' O ' ' HB3' ' A' ' 105' ' ' LEU . 18.7 mmtt -53.35 -48.92 68.12 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.02 0.438 . . . . 65.23 110.951 175.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.675 ' HB2' ' HG2' ' A' ' 54' ' ' GLU . 1.3 m-20 -88.92 -3.32 58.77 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.123 -0.49 . . . . 73.22 111.527 -174.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.518 ' HZ ' HD23 ' A' ' 61' ' ' LEU . 83.5 t80 -70.05 -39.53 75.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.475 -0.33 . . . . 75.33 110.657 -178.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -151.13 17.32 0.91 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.196 -1.002 . . . . 63.14 113.246 -178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.507 ' HB3' ' O ' ' A' ' 101' ' ' LYS . 3.2 tm? -127.43 111.22 13.59 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.522 -0.548 . . . . 44.03 109.522 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -68.44 138.29 55.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.546 -0.752 . . . . 53.32 112.314 -175.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -97.67 127.56 43.71 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.403 -0.962 . . . . 75.12 108.403 168.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -73.55 -33.97 64.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.731 0.3 . . . . 75.41 111.362 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -142.07 103.48 4.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.365 -0.38 . . . . 62.45 110.38 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -84.94 97.88 10.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.718 0.77 . . . . 71.42 110.289 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -176.86 131.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.073 -0.967 . . . . 72.53 109.024 -175.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 11.2 p80 . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.481 -0.771 . . . . 64.31 110.418 -176.841 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 120.928 0.395 . . . . 70.3 110.018 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -93.04 143.11 26.56 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.004 -0.739 . . . . 72.42 109.004 175.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -134.64 86.87 32.95 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 120.857 0.361 . . . . 75.43 110.854 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -82.22 81.47 2.51 Favored 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 122.578 2.185 . . . . 71.42 111.497 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.411 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 35.8 m -74.45 69.76 1.69 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.095 -0.502 . . . . 65.45 111.561 -176.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -139.13 15.22 2.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.698 -0.683 . . . . 74.1 110.69 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -65.05 141.05 58.88 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.787 -0.642 . . . . 72.42 111.136 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -76.85 -27.82 55.24 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.266 -0.879 . . . . 53.13 111.781 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.8 m -100.6 140.28 35.09 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.954 0.407 . . . . 75.23 111.374 -174.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.411 ' O ' HG21 ' A' ' 14' ' ' VAL . 32.8 p90 -58.78 -43.17 90.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.46 -0.791 . . . . 73.42 111.468 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -65.0 -26.32 68.24 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.931 0.396 . . . . 74.32 110.541 -178.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.08 -44.51 21.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.836 -0.62 . . . . 73.35 110.43 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.411 ' CE1' ' HB3' ' A' ' 5' ' ' SER . 49.4 t80 -63.22 -47.11 83.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.774 -0.648 . . . . 63.34 110.502 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.425 ' CG2' ' HB3' ' A' ' 85' ' ' TYR . 95.6 t -63.0 -44.59 99.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.827 -0.624 . . . . 71.34 111.008 -178.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' A' ' 19' ' ' LYS . . . -59.92 -45.02 93.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.628 -0.26 . . . . 64.52 111.497 -177.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -68.13 -44.88 75.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.269 -0.423 . . . . 74.43 110.88 -177.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -69.44 -39.38 77.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.817 0.341 . . . . 73.24 111.254 -177.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.609 ' HG2' ' HE1' ' A' ' 30' ' ' PHE . 34.4 ttm -64.85 -28.97 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.376 -0.375 . . . . 50.44 111.391 -176.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 93.8 mttt -54.43 -35.78 63.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.05 0.452 . . . . 71.45 111.048 175.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.4 m -95.43 -30.64 13.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.069 -0.514 . . . . 75.14 110.766 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.574 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 88.5 t80 -62.64 -30.12 71.13 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.289 -0.414 . . . . 75.21 111.356 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 p -68.08 -10.71 56.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.432 -0.349 . . . . 75.23 111.75 -178.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -69.61 -19.14 63.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.161 0.505 . . . . 75.25 110.569 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -120.47 30.52 6.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.948 -0.569 . . . . 70.14 110.708 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.53 ' HG ' HG23 ' A' ' 29' ' ' THR . 15.2 tp -141.85 142.56 33.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.947 -0.57 . . . . 73.31 109.886 178.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.535 ' HB2' HG21 ' A' ' 29' ' ' THR . 23.2 mt-10 -64.75 147.24 53.51 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.415 -0.357 . . . . 74.04 110.286 173.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.2 mt -65.43 -34.84 73.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.382 -0.372 . . . . 54.21 110.286 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.12 -55.96 27.93 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 121.07 -0.586 . . . . 38.21 112.547 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.535 HG21 ' HB2' ' A' ' 26' ' ' GLU . 8.6 t -66.31 -43.49 86.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.48 0.181 . . . . 74.43 110.843 178.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.609 ' HE1' ' HG2' ' A' ' 18' ' ' MET . 66.2 t80 -52.51 -53.39 46.62 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.539 -0.301 . . . . 75.24 111.222 175.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -61.37 -34.84 75.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 75.24 111.664 -177.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -64.87 -32.54 74.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.397 -0.365 . . . . 75.53 110.981 -176.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -123.12 37.0 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.348 0.594 . . . . 71.44 110.134 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -86.08 -53.97 4.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.451 -0.795 . . . . 75.11 111.681 -176.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 m -68.24 -72.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 63.43 111.376 -171.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 83.3 m 43.11 -87.08 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.762 1.023 . . . . 64.43 113.762 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.519 ' HE3' ' HB ' ' A' ' 81' ' ' THR . 64.6 mtt -64.14 -29.21 70.35 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.271 -0.422 . . . . 75.24 110.893 -176.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -63.94 -25.92 68.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.818 -0.628 . . . . 73.4 111.573 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.56 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 3.8 tmmm? -86.54 -31.78 21.06 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 121.37 0.605 . . . . 73.22 109.517 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -72.22 -8.38 54.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.502 -0.772 . . . . 74.24 110.661 -177.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 73.3 tttt 75.16 101.37 0.07 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.244 -0.889 . . . . 73.22 109.987 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -71.93 -176.92 1.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.332 -0.849 . . . . 73.5 111.99 -174.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 62.97 88.06 0.1 Allowed 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.03 -0.986 . . . . 74.01 110.39 -175.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.0 t -156.36 -164.39 1.66 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.571 -1.195 . . . . 72.22 108.215 -173.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -55.03 120.7 7.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.06 0.457 . . . . 74.44 110.895 178.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -78.31 77.41 1.71 Allowed Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.604 -0.725 . . . . 64.4 111.555 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 28.2 tp -59.86 125.61 24.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.815 0.341 . . . . 75.45 110.107 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -74.36 169.43 17.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.901 -0.591 . . . . 74.24 111.412 -175.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.564 ' HB2' ' HE2' ' A' ' 94' ' ' TYR . 47.0 m-85 -65.88 -49.04 69.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.521 -0.763 . . . . 75.15 110.845 -176.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.613 ' HA ' ' SD ' ' A' ' 95' ' ' MET . 26.4 t-80 -73.47 -11.32 60.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.869 -0.605 . . . . 71.51 111.066 -174.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -81.63 -11.78 58.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.894 0.378 . . . . 75.33 110.744 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.46 ' HG ' HG21 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -79.16 98.01 6.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.968 -0.56 . . . . 70.14 109.633 179.446 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.2 p -113.24 -178.84 3.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.887 -0.597 . . . . 72.0 111.867 -173.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -67.84 -38.1 82.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.741 -0.663 . . . . 74.13 109.763 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -57.23 -41.17 79.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.675 -0.693 . . . . 53.21 110.498 177.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -59.75 -51.66 68.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 75.32 110.025 177.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.28 -51.43 69.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.291 -0.413 . . . . 74.15 111.404 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.411 ' C ' ' HD3' ' A' ' 58' ' ' ARG . 3.2 tmt_? -59.19 -50.38 74.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 74.23 111.142 -176.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -68.57 -40.98 80.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.913 0.387 . . . . 64.22 111.06 -176.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -70.58 -34.15 71.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.133 -0.485 . . . . 74.53 110.401 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 58.5 tp -63.18 -50.39 70.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.915 -0.584 . . . . 70.43 110.444 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 46.0 mm -57.76 -46.18 86.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.129 -0.487 . . . . 71.1 110.541 178.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -58.51 -42.03 86.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.765 -0.652 . . . . 74.34 110.643 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.571 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 13.5 ttm -70.08 -41.66 73.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.616 -0.72 . . . . 72.1 110.938 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.588 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 7.5 tmtt? -63.39 -45.53 90.65 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.269 -0.878 . . . . 73.42 110.93 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -80.78 -64.24 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.083 0.468 . . . . 73.34 111.893 -177.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 31.7 m -74.45 -43.82 54.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.038 -0.528 . . . . 52.11 111.894 -171.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.43 HD12 ' HG3' ' A' ' 64' ' ' MET . 87.1 mt -87.15 -11.1 51.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.503 -0.317 . . . . 75.31 110.726 -177.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 65.6 m 66.53 26.81 9.83 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.925 -0.58 . . . . 65.22 112.556 173.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.588 ' O ' ' HA ' ' A' ' 65' ' ' LYS . 32.9 m-80 -97.73 152.14 19.43 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 121.049 -0.26 . . . . 73.4 110.601 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.2 -177.7 4.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.405 -0.361 . . . . 63.03 110.29 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -55.63 -57.69 10.92 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.685 0.278 . . . . 72.14 111.6 -177.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.411 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 61.5 m -63.65 -35.98 82.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.449 -0.341 . . . . 64.15 111.295 -177.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.36 -39.78 77.86 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.128 0.49 . . . . 64.43 110.252 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.51 -42.96 91.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.801 -0.636 . . . . 74.02 110.621 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -58.56 -35.36 72.24 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.124 -0.489 . . . . 75.45 111.099 178.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 73' ' ' SER . 28.4 mmt180 -63.28 -43.32 98.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.009 0.433 . . . . 62.33 110.868 177.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -73.15 -41.42 63.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.71 -0.677 . . . . 75.04 110.783 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 71.1 mt -65.59 -21.34 66.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.507 -0.77 . . . . 71.45 112.104 -177.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.6 ' O ' HG12 ' A' ' 84' ' ' ILE . 73.3 m -50.4 -32.32 17.3 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.124 0.416 . . . . 62.41 112.124 176.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.519 ' HB ' ' HE3' ' A' ' 37' ' ' MET . 37.5 p -63.63 -47.53 80.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.183 0.516 . . . . 73.53 110.917 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.63 HG23 ' HE2' ' A' ' 85' ' ' TYR . 72.8 mt -69.72 -36.59 70.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.75 -0.659 . . . . 71.22 109.97 177.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -54.07 -43.17 70.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.555 -0.748 . . . . 74.3 111.422 176.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.6 HG12 ' O ' ' A' ' 80' ' ' SER . 41.7 mm -54.73 -51.25 53.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 112.332 0.493 . . . . 73.14 112.332 -176.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.63 ' HE2' HG23 ' A' ' 82' ' ' ILE . 1.7 p90 -72.82 -28.99 62.88 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 120.045 -0.662 . . . . 74.14 110.629 -173.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.495 ' O ' HG13 ' A' ' 90' ' ' ILE . 86.9 t -75.83 -47.98 30.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.222 0.534 . . . . 71.34 110.188 176.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 m -62.04 -35.42 78.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.239 -0.892 . . . . 74.43 112.142 -176.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.09 83.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.145 0.498 . . . . 62.02 110.609 176.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.423 ' HB2' ' HB3' ' A' ' 94' ' ' TYR . . . -75.65 -28.36 58.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.723 -0.671 . . . . 63.41 110.835 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 86' ' ' VAL . 80.1 mt -66.72 -44.27 89.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.084 0.468 . . . . 73.23 110.257 177.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -65.09 -42.75 93.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.718 -0.673 . . . . 75.44 111.164 -178.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.45 ' HD2' ' HA ' ' A' ' 92' ' ' LYS . 38.0 tptt -69.29 -34.81 75.28 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.868 -0.333 . . . . 72.53 110.881 -178.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 116.71 17.22 6.06 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.448 -0.882 . . . . 70.12 113.144 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.564 ' HE2' ' HB2' ' A' ' 49' ' ' PHE . 87.7 t80 -87.23 -46.57 9.6 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.451 -0.574 . . . . 64.05 109.451 175.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.613 ' SD ' ' HA ' ' A' ' 50' ' ' HIS . 90.8 mmm -93.21 105.58 17.64 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.911 -0.586 . . . . 64.44 109.428 174.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -82.06 -33.58 29.82 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.552 -0.749 . . . . 75.5 111.271 -174.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -119.73 134.65 55.15 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.066 -0.515 . . . . 61.1 110.459 177.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -80.57 150.61 70.37 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.556 -0.747 . . . . 73.04 111.071 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -79.97 -4.06 13.1 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.957 2.438 . . . . 63.24 113.217 -178.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.693 ' HB2' ' HD2' ' A' ' 103' ' ' PHE . 29.6 p90 -109.25 19.08 19.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.439 1.114 . . . . 73.33 110.745 -178.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.561 ' HA ' HD23 ' A' ' 105' ' ' LEU . 12.4 mmtt -52.25 -25.56 9.66 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 112.926 -1.943 . . . . 74.35 113.06 179.179 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -74.08 -16.58 61.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.903 0.382 . . . . 74.32 111.273 -176.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.693 ' HD2' ' HB2' ' A' ' 100' ' ' PHE . 52.2 m-85 -74.82 -21.57 59.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.229 -0.441 . . . . 72.44 110.152 176.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 96.46 106.6 2.31 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.662 -0.78 . . . . 75.34 112.134 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.561 HD23 ' HA ' ' A' ' 101' ' ' LYS . 4.2 mm? -108.35 159.88 16.31 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 120.845 0.355 . . . . 71.25 110.21 -178.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -63.75 127.34 30.93 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.287 -0.87 . . . . 74.35 110.609 -177.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -83.06 73.21 10.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.325 0.583 . . . . 73.32 110.493 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.441 ' O ' ' HB2' ' A' ' 109' ' ' HIS . 6.6 t60 -87.29 72.62 9.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.36 -0.837 . . . . 74.42 109.362 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . 0.441 ' HB2' ' O ' ' A' ' 108' ' ' HIS . 7.0 m170 69.93 153.45 0.11 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 124.082 0.864 . . . . 73.14 111.222 -172.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -96.01 -12.57 24.76 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.855 -0.795 . . . . 63.02 108.855 175.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -153.98 142.88 21.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.648 -1.16 . . . . 65.44 108.515 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 16.7 p80 . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.147 -0.93 . . . . 74.23 110.13 177.392 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.747 0.308 . . . . 73.32 110.804 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.457 ' O ' ' HB2' ' A' ' 3' ' ' ASN . 61.8 m-80 -136.42 -46.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.547 -0.297 . . . . 74.55 110.437 173.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' A' ' 2' ' ' ASN . 1.0 OUTLIER 70.73 149.5 0.12 Allowed Pre-proline 0 N--CA 1.467 0.403 0 O-C-N 123.907 0.754 . . . . 74.03 110.486 -173.31 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.89 96.99 0.27 Allowed 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.684 2.256 . . . . 71.13 112.189 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.9 m -152.23 106.78 3.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.953 -0.567 . . . . 60.05 110.577 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -97.17 6.84 47.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.907 0.861 . . . . 71.15 110.457 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.647 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 52.6 m-85 -126.26 174.35 8.61 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.723 -1.126 . . . . 75.21 109.877 178.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -58.79 -44.53 90.75 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.997 0.427 . . . . 73.34 110.727 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.8 m -156.2 -178.53 7.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.855 -0.611 . . . . 74.44 110.52 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.445 ' O ' HG23 ' A' ' 14' ' ' VAL . 30.2 p90 -56.37 -41.16 75.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.868 -0.606 . . . . 74.14 111.497 179.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.786 ' HB2' ' HB3' ' A' ' 37' ' ' MET . 12.9 p-80 -62.79 -24.56 67.8 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.452 -0.34 . . . . 73.23 111.575 -174.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.647 ' HB2' ' HB3' ' A' ' 7' ' ' PHE . 7.4 m-20 -76.62 -45.85 28.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.928 0.394 . . . . 72.51 110.347 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -68.06 -43.52 78.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.941 -0.572 . . . . 74.43 110.18 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.489 ' CG2' ' HB2' ' A' ' 85' ' ' TYR . 86.8 t -61.14 -39.72 83.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.178 -0.465 . . . . 65.33 110.551 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.55 98.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.505 -0.316 . . . . 74.01 110.836 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -71.15 -38.11 72.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.998 0.427 . . . . 55.51 110.673 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -69.94 -42.55 73.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.047 0.451 . . . . 72.51 109.979 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.665 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 34.3 ttm -67.37 -35.08 78.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.981 -0.554 . . . . 73.03 110.043 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -55.83 -33.84 64.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.619 -0.718 . . . . 72.32 110.506 174.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.2 m -69.2 -52.83 23.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.653 -0.703 . . . . 74.53 111.611 -177.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.665 ' CE2' ' HA ' ' A' ' 18' ' ' MET . 16.2 p90 -90.03 3.55 52.87 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 120.73 -0.388 . . . . 65.44 111.548 -176.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.9 t -62.24 -10.68 11.5 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.063 0.459 . . . . 64.23 110.801 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -65.94 -30.59 71.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.678 -0.692 . . . . 74.03 110.389 178.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -102.55 -9.65 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 74.42 110.783 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.455 HD12 ' HE1' ' A' ' 21' ' ' TYR . 14.7 tp -89.23 128.25 35.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.497 -0.32 . . . . 74.1 110.21 -173.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.21 150.88 33.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.838 -0.619 . . . . 71.24 109.542 173.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.9 mm -67.19 -32.73 58.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.934 -0.575 . . . . 63.13 110.578 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.28 -54.01 28.67 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 121.203 -0.522 . . . . 72.31 113.303 -178.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.424 HG23 ' HG ' ' A' ' 25' ' ' LEU . 1.8 t -67.61 -52.06 42.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.018 0.409 . . . . 75.42 111.042 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.402 ' HB2' HD21 ' A' ' 25' ' ' LEU . 82.3 t80 -50.19 -49.69 51.7 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 123.203 0.314 . . . . 73.01 111.692 178.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -61.94 -21.87 65.15 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.215 0.821 . . . . 71.11 113.215 -173.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -85.79 -63.05 1.39 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.207 0.447 . . . . 63.44 112.207 -175.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -84.02 11.84 7.25 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.446 0.535 . . . . 74.03 112.446 -172.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.487 ' HD3' ' N ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -80.93 -33.29 34.16 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.057 0.455 . . . . 71.24 110.152 172.693 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.487 ' N ' ' HD3' ' A' ' 34' ' ' LYS . 15.6 m -75.5 -33.86 60.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.394 -0.821 . . . . 71.11 110.749 -179.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.0 m -55.75 -52.2 64.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.799 -0.637 . . . . 73.12 111.51 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.786 ' HB3' ' HB2' ' A' ' 11' ' ' HIS . 71.7 mtm -60.6 -26.99 67.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.259 -0.882 . . . . 74.33 111.978 -178.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.429 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 5.8 mpt_? -77.13 -38.32 52.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.114 0.483 . . . . 74.1 111.024 178.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -73.33 -51.37 17.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.698 -0.683 . . . . 75.43 112.265 -172.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -68.61 3.25 1.93 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.893 1.072 . . . . 72.21 113.893 -169.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 38' ' ' ARG . 23.6 pttm -85.19 7.36 22.2 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.908 -0.495 . . . . 70.42 111.614 -175.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.69 -34.35 77.66 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.925 0.342 . . . . 73.15 111.925 -173.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -77.34 -14.28 59.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.657 0.265 . . . . 74.41 111.0 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.8 t 58.4 35.1 24.54 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.839 -0.619 . . . . 73.11 110.473 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -110.73 142.22 42.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.131 -0.486 . . . . 71.21 110.401 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.11 -138.65 8.34 Favored Glycine 0 N--CA 1.439 -1.121 0 N-CA-C 110.898 -0.881 . . . . 63.42 110.898 172.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.536 ' HG ' ' HB2' ' A' ' 51' ' ' GLU . 12.7 tp -166.51 135.37 2.94 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.432 -0.581 . . . . 75.21 109.432 -179.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -81.84 168.18 18.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.222 0.534 . . . . 65.13 110.616 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -62.61 -42.54 99.64 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.223 -0.899 . . . . 72.12 111.488 -176.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -77.41 -10.69 59.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.858 -0.61 . . . . 52.44 111.333 -177.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.536 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . 48.4 mt-10 -84.45 -30.2 25.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.911 0.386 . . . . 74.3 110.164 177.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.45 98.89 2.35 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.226 -0.657 . . . . 71.14 109.226 178.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.9 p -137.46 172.33 13.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.75 -0.659 . . . . 74.44 110.672 -175.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.449 ' HG3' ' HA ' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -54.78 -42.37 71.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.137 0.494 . . . . 61.51 109.974 174.625 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -51.05 -46.8 61.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.983 -1.008 . . . . 63.3 111.26 176.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -61.66 -48.15 82.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.034 -0.53 . . . . 74.42 110.744 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.74 -42.92 84.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.476 -0.329 . . . . 73.42 111.151 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.455 ' O ' HG12 ' A' ' 62' ' ' ILE . 60.6 mtp180 -63.26 -55.62 23.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.026 0.441 . . . . 64.54 110.663 178.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -57.95 -44.73 87.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.249 -0.887 . . . . 75.24 111.715 -177.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -68.8 -36.77 78.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 62.32 110.367 -178.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 58.9 tp -58.74 -49.88 76.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 71.53 110.345 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.455 HG12 ' O ' ' A' ' 58' ' ' ARG . 51.6 mm -57.48 -47.92 83.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.582 -0.736 . . . . 63.32 110.512 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -56.43 -42.05 77.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.198 0.523 . . . . 74.45 110.824 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.794 ' HE2' ' HB1' ' A' ' 75' ' ' ALA . 3.2 ttp -68.55 -38.5 80.85 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.762 -0.653 . . . . 60.33 111.653 -177.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 69' ' ' CYS . 19.4 ptmt -84.83 -23.1 29.21 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.512 -0.475 . . . . 72.12 111.902 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -90.51 -62.05 1.54 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.67 -0.241 . . . . 72.52 110.912 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.9 m -74.4 -47.76 31.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.858 0.361 . . . . 74.34 111.01 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 64' ' ' MET . 96.9 mt -84.02 -18.09 38.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 75.5 110.904 -178.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 33.0 t 64.66 29.82 12.79 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.908 -0.587 . . . . 74.21 111.617 176.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.44 ' N ' HD21 ' A' ' 70' ' ' ASN . 0.9 OUTLIER -89.7 148.42 23.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.077 -0.389 . . . . 75.54 110.339 178.048 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.17 170.35 14.83 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.477 -0.329 . . . . 54.01 110.388 -178.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -59.97 -43.56 95.01 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.032 0.444 . . . . 70.43 110.882 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.637 ' O ' ' HD3' ' A' ' 77' ' ' ARG . 14.8 m -60.02 -25.58 65.41 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.136 -0.484 . . . . 64.34 110.749 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.2 m -86.79 -53.42 4.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.311 0.577 . . . . 73.3 110.781 175.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.794 ' HB1' ' HE2' ' A' ' 64' ' ' MET . . . -62.65 -41.77 99.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.378 -0.828 . . . . 72.3 112.437 -173.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.77 -34.22 71.19 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.884 0.474 . . . . 70.5 111.263 -179.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.637 ' HD3' ' O ' ' A' ' 73' ' ' SER . 10.3 mpt_? -77.72 -30.25 51.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.857 0.361 . . . . 74.1 110.408 -178.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.572 ' O ' HG23 ' A' ' 81' ' ' THR . 56.9 t30 -73.83 -43.99 57.04 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.338 -0.392 . . . . 53.43 110.0 176.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.8 mt -59.4 -32.41 70.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 73.31 110.486 176.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.458 ' O ' HG13 ' A' ' 84' ' ' ILE . 73.3 m -59.79 -26.6 65.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.994 -0.548 . . . . 75.21 112.237 177.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 78' ' ' ASN . 1.3 t -71.27 -36.57 71.77 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.842 -0.429 . . . . 75.51 109.842 -178.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 96.7 mt -75.98 -32.51 23.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 121.037 0.446 . . . . 74.51 109.861 174.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 87' ' ' SER . 18.6 tttt -57.2 -37.02 71.56 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.696 -0.684 . . . . 72.41 110.721 178.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 80' ' ' SER . 67.0 mt -58.86 -41.14 81.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.787 0.327 . . . . 62.5 110.627 178.039 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.489 ' HB2' ' CG2' ' A' ' 14' ' ' VAL . 65.8 t80 -69.7 -48.3 60.1 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.775 -0.454 . . . . 72.43 109.775 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.621 ' O ' HG13 ' A' ' 90' ' ' ILE . 80.0 t -60.01 -49.72 82.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.516 -0.765 . . . . 64.31 110.676 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.501 ' HA ' HD11 ' A' ' 90' ' ' ILE . 2.7 m -62.42 -38.13 88.5 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.559 -0.746 . . . . 73.3 111.632 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.37 -37.04 85.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.231 0.539 . . . . 71.44 110.034 175.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.74 -23.63 64.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.64 -0.709 . . . . 75.21 111.266 177.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.621 HG13 ' O ' ' A' ' 86' ' ' VAL . 62.6 mt -79.66 -38.93 19.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.094 0.473 . . . . 72.15 110.143 176.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -77.39 -45.12 26.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.87 -0.604 . . . . 73.34 111.299 -175.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -141.0 31.46 1.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.961 0.41 . . . . 63.13 111.829 -174.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -120.69 -97.43 1.58 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.385 -0.912 . . . . 74.11 112.73 -179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -148.34 -32.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.603 0.239 . . . . 64.33 110.926 -176.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.404 ' HB2' ' HA ' ' A' ' 90' ' ' ILE . 98.8 mmm -53.0 131.38 36.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.951 -0.568 . . . . 55.23 111.35 -177.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -78.13 -46.39 20.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.744 -0.662 . . . . 75.15 110.215 -176.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -141.29 172.51 12.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.037 -0.529 . . . . 75.13 110.082 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.455 ' OD2' ' HG2' ' A' ' 101' ' ' LYS . 4.1 p-10 -85.71 144.18 39.35 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.86 -0.609 . . . . 73.21 110.66 178.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.01 -4.72 15.2 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.805 2.337 . . . . 65.51 113.786 -173.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.59 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 52.8 p90 -102.6 -0.25 32.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.63 0.729 . . . . 72.35 111.35 -178.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.915 ' HA ' ' HE2' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -55.98 -44.74 78.86 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.8 -1.091 . . . . 73.43 110.732 175.306 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.551 ' HA ' ' O ' ' A' ' 106' ' ' GLU . 18.3 t70 -106.66 17.67 22.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.7 0.762 . . . . 65.03 109.904 -177.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.59 ' HB2' ' HA ' ' A' ' 100' ' ' PHE . 20.6 t80 -58.6 -40.33 82.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.157 -0.929 . . . . 74.22 111.759 -175.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -173.53 -65.16 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 119.892 -1.147 . . . . 73.24 113.425 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.8 tt -58.36 -45.05 88.93 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.04 0.448 . . . . 75.45 110.735 -175.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.551 ' O ' ' HA ' ' A' ' 102' ' ' ASP . 32.9 mt-10 -109.58 132.24 54.32 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.96 -0.385 . . . . 73.54 109.96 178.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -127.21 146.61 50.35 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.329 -0.396 . . . . 73.34 110.409 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 62.75 45.83 5.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.854 -0.612 . . . . 65.4 109.871 178.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . 0.502 ' O ' ' HB3' ' A' ' 110' ' ' HIS . 27.4 t-80 68.46 2.92 3.55 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.714 -0.676 . . . . 75.25 111.402 178.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.55 ' HB2' ' HB3' ' A' ' 106' ' ' GLU . 21.3 t-80 70.48 127.73 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 122.714 0.406 . . . . 75.13 110.43 -176.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -56.91 112.39 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 75.5 110.054 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 6.3 t60 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.625 -0.702 . . . . 74.44 109.693 -176.216 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 121.027 0.441 . . . . 75.23 110.041 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -162.27 -158.2 0.51 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.854 -0.795 . . . . 74.1 108.854 -178.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 45.2 t30 66.02 84.28 0.18 Allowed Pre-proline 0 N--CA 1.464 0.264 0 CA-C-O 121.156 0.503 . . . . 74.42 110.254 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -84.68 -10.41 8.52 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.794 2.33 . . . . 62.32 113.386 -175.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 p -79.62 50.95 1.2 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.353 0.597 . . . . 75.54 110.672 -177.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -95.22 4.01 53.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.626 0.727 . . . . 72.42 111.014 -175.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.572 ' HB3' ' CB ' ' A' ' 12' ' ' ASP . 3.7 m-85 -92.88 124.42 36.85 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.588 -0.733 . . . . 72.42 109.19 176.28 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.657 ' HZ2' ' HB2' ' A' ' 8' ' ' LYS . 9.8 mtmp? -89.92 -28.28 19.28 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.315 -0.402 . . . . 73.34 111.18 -177.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.552 ' HA ' ' HA2' ' A' ' 46' ' ' GLY . 11.2 m -144.1 175.69 9.86 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.9 0.381 . . . . 62.23 111.827 -166.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.644 ' HE1' ' H ' ' A' ' 44' ' ' CYS . 47.4 p90 -59.12 -38.32 79.32 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.787 -0.642 . . . . 64.14 111.554 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.689 ' HD2' ' HB3' ' A' ' 43' ' ' TYR . 19.5 p80 -64.85 -24.49 67.56 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 120.797 -0.361 . . . . 72.41 110.423 -178.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.572 ' CB ' ' HB3' ' A' ' 7' ' ' PHE . 23.5 m-20 -80.27 -48.29 13.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.117 0.484 . . . . 73.2 110.361 176.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -62.44 -49.02 77.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.714 -0.676 . . . . 74.51 111.092 -178.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.5 t -64.94 -34.46 70.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.045 -0.525 . . . . 72.34 110.572 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.63 -41.19 98.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.562 0.22 . . . . 54.34 111.083 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -68.24 -44.58 75.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.357 -0.383 . . . . 54.52 110.444 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -62.35 -43.24 99.29 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.219 0.533 . . . . 74.12 110.209 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.504 ' HG3' ' HE1' ' A' ' 30' ' ' PHE . 34.2 tpp -61.08 -47.21 87.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.237 -0.892 . . . . 75.34 110.16 178.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -57.96 -38.25 75.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.347 -0.842 . . . . 54.33 110.668 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 84.9 m -60.16 -51.35 69.98 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.177 -0.465 . . . . 62.11 112.058 -176.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.445 ' HE1' ' SD ' ' A' ' 18' ' ' MET . 4.2 p90 -84.22 -13.94 51.35 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.895 -0.503 . . . . 73.31 110.906 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.5 t -65.82 -11.55 47.26 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.083 -0.508 . . . . 70.55 111.462 177.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 23' ' ' ARG . 50.4 mtp180 -64.46 -22.06 66.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.963 0.411 . . . . 75.55 111.176 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -87.02 -41.51 13.81 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.091 -0.504 . . . . 63.2 111.36 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 2.4 pp -91.29 173.29 8.0 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 121.431 0.634 . . . . 73.21 111.916 -172.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -88.22 168.4 12.77 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.25 -0.887 . . . . 74.33 110.846 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.1 mm -66.79 -29.29 45.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.915 -0.584 . . . . 73.02 110.464 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.17 -51.73 48.57 Favored Glycine 0 CA--C 1.522 0.469 0 CA-C-N 116.036 -0.529 . . . . 42.34 113.494 -178.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.9 t -79.22 -36.52 39.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.796 0.331 . . . . 75.43 110.629 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.504 ' HE1' ' HG3' ' A' ' 18' ' ' MET . 37.6 t80 -54.34 -53.3 55.78 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.288 -0.414 . . . . 74.4 111.443 175.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.688 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 36.1 ptt180 -66.66 -25.54 66.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 73.05 111.129 -176.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -60.29 -34.68 74.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.325 -0.398 . . . . 75.35 111.043 -176.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -111.03 5.81 20.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.99 0.424 . . . . 75.33 110.693 177.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.688 ' HB3' ' HA ' ' A' ' 31' ' ' ARG . 79.6 tttt -96.3 -42.48 8.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.95 -0.568 . . . . 74.11 111.317 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.6 t -62.64 -29.51 70.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.472 -0.785 . . . . 75.34 112.22 -167.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 56.3 m -61.12 -62.44 1.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.87 0.367 . . . . 42.03 110.858 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 48.8 ttm -68.74 -28.9 67.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.857 -0.61 . . . . 74.23 110.982 -178.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.531 ' HG3' ' HE2' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -65.21 -44.23 88.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.273 -0.421 . . . . 71.31 110.958 -177.565 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -57.96 -67.31 0.35 Allowed 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.74 -0.664 . . . . 62.52 111.937 -177.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.539 ' HD1' ' HB3' ' A' ' 42' ' ' GLU . 7.9 t80 -71.85 -22.24 61.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.971 -0.558 . . . . 75.24 111.197 -176.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.5 pttt 46.72 35.35 3.03 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.093 0.957 . . . . 71.23 111.718 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.539 ' HB3' ' HD1' ' A' ' 40' ' ' PHE . 6.0 pt-20 -64.29 152.04 42.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.274 -0.876 . . . . 73.1 112.213 -175.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.689 ' HB3' ' HD2' ' A' ' 11' ' ' HIS . 27.8 p90 -155.21 139.02 16.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.581 -0.736 . . . . 71.11 110.753 -176.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.644 ' H ' ' HE1' ' A' ' 10' ' ' PHE . 48.2 t -98.41 60.79 1.38 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.089 -0.708 . . . . 71.34 109.089 174.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 68.65 -70.35 0.13 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.403 -0.817 . . . . 71.01 111.115 -176.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.552 ' HA2' ' HA ' ' A' ' 9' ' ' SER . . . -140.26 -130.33 2.64 Favored Glycine 0 N--CA 1.442 -0.955 0 N-CA-C 110.996 -0.842 . . . . 42.14 110.996 177.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.583 HD21 HD23 ' A' ' 52' ' ' LEU . 2.5 tm? -176.35 112.34 0.1 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.67 0.748 . . . . 72.42 111.097 170.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -126.55 -177.6 4.06 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 114.356 -1.293 . . . . 74.01 108.061 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -66.25 -34.58 78.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.139 0.495 . . . . 75.01 110.61 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -73.48 -8.03 54.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.941 -0.572 . . . . 74.04 111.47 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -110.25 6.17 22.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.965 0.412 . . . . 64.4 111.017 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.583 HD23 HD21 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -128.62 87.19 2.55 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.023 -0.732 . . . . 74.41 109.023 178.011 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.478 ' O ' HD23 ' A' ' 57' ' ' LEU . 38.7 p -132.19 179.66 5.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.088 -0.506 . . . . 74.41 111.178 -174.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.521 ' CG ' ' HA ' ' A' ' 103' ' ' PHE . 6.7 tm-20 -57.9 -45.99 85.61 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.698 -0.482 . . . . 73.42 109.698 172.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.91 -36.44 79.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.683 -0.69 . . . . 54.33 110.662 -178.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.498 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 87.9 t80 -63.16 -51.42 66.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 73.22 110.336 176.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 53' ' ' THR . 4.3 mm? -61.28 -40.44 94.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.266 -0.424 . . . . 72.22 110.912 178.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -60.13 -53.72 54.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.603 -0.726 . . . . 75.34 110.998 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.77 -38.08 88.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 71.52 111.046 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.498 ' HB2' ' O ' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -71.3 -28.75 64.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.913 -0.585 . . . . 74.33 111.19 -176.467 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.7 tp -64.95 -48.15 75.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.173 0.511 . . . . 65.43 109.961 173.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.6 mm -59.4 -50.06 81.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.469 -0.787 . . . . 72.24 109.8 175.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -55.38 -38.31 68.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.449 -0.796 . . . . 74.05 111.17 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.592 ' HG2' ' CB ' ' A' ' 75' ' ' ALA . 22.1 tpp -62.76 -47.89 81.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.902 -0.59 . . . . 75.23 111.569 -178.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 12.5 tmtt? -83.03 -42.79 17.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.7 -0.682 . . . . 71.22 110.479 -174.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -73.9 -61.13 1.95 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.637 -0.711 . . . . 74.14 111.368 -176.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.3 m -80.35 -47.7 14.08 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.306 0.484 . . . . 73.04 112.306 -173.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.422 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 1.8 tt -80.24 -88.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.741 -0.384 . . . . 73.41 111.15 -171.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 68' ' ' LEU . 63.3 m -174.89 -49.09 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.134 0.492 . . . . 73.11 111.005 -171.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.683 ' HB3' ' HB ' ' A' ' 74' ' ' THR . 20.7 m-80 -61.05 140.11 57.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.985 -1.007 . . . . 75.24 112.619 -166.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.56 -177.81 6.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.175 -0.92 . . . . 64.31 109.577 174.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -50.01 -57.36 7.75 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.885 0.374 . . . . 72.51 111.483 -175.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.9 m -57.42 -46.32 83.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.793 -0.639 . . . . 62.02 111.529 -176.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.683 ' HB ' ' HB3' ' A' ' 70' ' ' ASN . 1.4 m -71.34 -35.35 71.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.906 0.384 . . . . 54.32 110.819 -178.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.592 ' CB ' ' HG2' ' A' ' 64' ' ' MET . . . -59.27 -38.93 81.36 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.991 -0.55 . . . . 63.1 110.131 176.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -58.39 -35.01 71.36 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.377 -0.829 . . . . 73.33 110.971 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -70.71 -46.0 63.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 74.44 111.079 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -70.14 -21.77 63.05 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.079 0.466 . . . . 74.32 110.775 -177.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 93.0 mt -86.79 -31.92 20.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.027 0.441 . . . . 72.43 110.547 174.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.572 ' O ' HG13 ' A' ' 84' ' ' ILE . 34.9 t -64.0 -33.87 76.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.037 -0.529 . . . . 74.25 111.137 -179.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.2 p -60.75 -48.69 80.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.049 0.452 . . . . 61.54 110.479 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.4 mt -63.0 -40.3 88.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.607 -0.724 . . . . 74.44 110.221 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 87' ' ' SER . 21.2 tttm -59.21 -35.49 73.7 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.719 -0.673 . . . . 70.54 111.346 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 80' ' ' SER . 76.6 mt -59.95 -39.84 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.951 0.405 . . . . 73.23 110.439 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -72.94 -43.94 61.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 75.12 110.153 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.62 HG13 ' SD ' ' A' ' 95' ' ' MET . 90.6 t -62.43 -51.78 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.882 -0.599 . . . . 74.52 111.015 178.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.458 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 1.3 m -57.53 -35.61 70.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.706 -0.679 . . . . 70.25 111.454 179.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.61 -33.7 64.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.427 . . . . 73.53 110.953 177.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.587 ' HB1' ' HB3' ' A' ' 94' ' ' TYR . . . -67.7 -25.81 65.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.134 -0.484 . . . . 53.23 111.2 179.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 86' ' ' VAL . 58.9 mt -71.13 -39.52 73.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.084 0.469 . . . . 62.51 109.916 176.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.481 ' O ' ' HD3' ' A' ' 91' ' ' LYS . 8.1 tmtt? -66.82 -38.11 85.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.755 -0.657 . . . . 63.1 109.3 176.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -68.05 -32.63 73.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.528 -0.76 . . . . 73.34 110.765 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.69 24.85 7.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.894 -0.67 . . . . 65.15 112.345 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.587 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 66.5 t80 -90.36 -46.28 8.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.005 0.431 . . . . 74.15 110.07 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.62 ' SD ' HG13 ' A' ' 86' ' ' VAL . 87.2 mtp -109.9 149.1 30.39 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.144 -0.48 . . . . 71.21 110.593 178.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -77.43 -35.39 54.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.779 -0.646 . . . . 73.13 111.719 -176.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -155.72 157.67 36.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.265 -0.425 . . . . 74.01 111.457 -174.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.59 144.21 93.77 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.381 -0.827 . . . . 73.21 110.578 174.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -64.89 -27.43 58.87 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.381 2.054 . . . . 65.42 110.499 171.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -60.91 -29.73 69.76 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.104 -0.953 . . . . 72.32 110.838 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -72.08 -45.44 60.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.163 -0.471 . . . . 71.11 111.039 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -83.7 -11.14 57.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.932 -0.576 . . . . 63.32 110.673 -176.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.521 ' HA ' ' CG ' ' A' ' 54' ' ' GLU . 38.4 t80 -68.56 -18.95 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.54 -0.755 . . . . 71.15 110.913 -179.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.06 -132.22 2.98 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.585 -0.817 . . . . 36.91 112.233 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -152.17 113.09 4.2 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.985 -0.376 . . . . 74.01 109.985 -176.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -91.6 -75.51 0.47 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.12 0.486 . . . . 75.34 109.954 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -153.84 125.61 7.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.342 -0.845 . . . . 65.51 108.775 -178.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 38.5 t60 -69.6 126.59 30.21 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.319 -0.623 . . . . 74.44 109.319 177.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -53.91 129.87 35.44 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.414 0.446 . . . . 71.53 110.622 -177.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.474 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 54.7 t60 -74.5 -83.91 0.05 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.624 -0.262 . . . . 73.31 110.872 -178.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.474 ' HB2' ' O ' ' A' ' 110' ' ' HIS . 24.3 t-80 172.04 147.22 0.04 OUTLIER 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.858 -0.423 . . . . 73.43 109.858 -176.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.653 -0.689 . . . . 72.03 109.848 177.834 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 110.052 -0.351 . . . . 61.04 110.052 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -132.83 -62.75 0.8 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.231 -0.44 . . . . 73.41 109.925 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.445 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 16.8 m120 -91.65 144.2 29.13 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.925 -0.579 . . . . 75.45 110.211 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 3' ' ' ASN . 2.8 Cg_exo -75.7 165.74 29.68 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.847 2.364 . . . . 63.23 111.604 176.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 m -75.09 77.26 2.26 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.228 0.537 . . . . 64.31 110.339 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -99.74 4.07 45.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.543 0.687 . . . . 62.23 110.842 -177.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -89.18 120.59 30.7 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.139 -0.937 . . . . 71.22 109.611 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -78.13 -25.99 47.65 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.328 -0.396 . . . . 71.13 111.43 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.8 p -157.85 -173.44 4.37 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.077 0.465 . . . . 52.44 111.484 -174.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.422 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.5 p90 -57.84 -40.63 80.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.263 -0.881 . . . . 74.22 111.771 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -73.69 -23.36 59.8 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 120.699 -0.4 . . . . 74.35 111.286 -174.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.79 -41.8 51.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.95 0.405 . . . . 64.22 110.334 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.58 ' CD1' ' HB2' ' A' ' 85' ' ' TYR . 24.4 t80 -62.83 -42.73 99.85 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.417 -0.586 . . . . 74.12 109.417 177.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.512 HG22 ' HE1' ' A' ' 37' ' ' MET . 54.3 t -56.83 -55.34 20.52 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.304 0 CA-C-N 115.198 -0.91 . . . . 73.5 111.184 177.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.06 -28.99 63.05 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.143 0.423 . . . . 54.24 112.143 -175.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.3 t -78.92 -45.19 21.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.717 -0.22 . . . . 74.11 111.238 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -77.44 -40.32 43.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.228 0.537 . . . . 74.52 110.422 -177.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.583 ' HB3' ' HE1' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -62.67 -28.34 69.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.385 -0.825 . . . . 75.32 111.474 178.248 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -49.83 -32.71 14.84 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.929 -0.578 . . . . 72.13 110.972 175.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.5 m -57.7 -56.07 26.67 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.294 -0.412 . . . . 75.43 112.089 -178.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.583 ' HE2' HD21 ' A' ' 25' ' ' LEU . 31.1 p90 -89.79 -7.06 55.25 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 121.041 -0.264 . . . . 71.23 111.12 -176.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.4 t -58.3 -21.02 47.46 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.488 -0.324 . . . . 72.44 111.468 176.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -68.23 -23.16 64.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.055 0.455 . . . . 70.11 110.833 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -112.81 13.29 19.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.964 -0.562 . . . . 71.23 110.422 -174.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.583 HD21 ' HE2' ' A' ' 21' ' ' TYR . 16.2 tp -127.94 139.91 52.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.83 -0.623 . . . . 70.45 109.703 -179.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -65.03 142.54 58.38 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.205 -0.452 . . . . 65.52 110.773 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.5 mm -61.03 -35.61 66.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.768 -0.651 . . . . 71.33 110.196 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.29 -47.76 79.87 Favored Glycine 0 CA--C 1.519 0.317 0 CA-C-N 115.826 -0.625 . . . . 74.12 112.685 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.496 HG23 ' HG ' ' A' ' 25' ' ' LEU . 8.8 t -79.44 -43.14 23.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.579 -0.365 . . . . 75.34 110.869 -178.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.583 ' HE1' ' HB3' ' A' ' 18' ' ' MET . 83.4 t80 -54.71 -44.31 73.36 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.821 0.344 . . . . 75.41 111.921 177.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.426 ' HB2' ' OG ' ' A' ' 35' ' ' SER . 22.2 ptt180 -69.59 -19.21 63.66 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.658 0.244 . . . . 65.23 111.658 -175.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -56.94 -24.01 49.68 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.819 0.342 . . . . 72.01 110.964 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -104.83 -60.86 1.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.19 -0.459 . . . . 75.11 109.78 176.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -51.05 -54.37 25.36 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.303 -0.862 . . . . 74.42 112.782 -175.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.426 ' OG ' ' HB2' ' A' ' 31' ' ' ARG . 27.3 m -74.82 -23.68 58.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.66 0.267 . . . . 51.43 111.548 -173.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.485 ' O ' ' HB2' ' A' ' 39' ' ' LYS . 69.5 m -80.39 -45.43 17.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.914 0.388 . . . . 73.45 111.544 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.512 ' HE1' HG22 ' A' ' 14' ' ' VAL . 81.8 mtp -61.79 -27.12 68.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.107 -0.497 . . . . 72.01 111.282 179.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -78.94 -26.15 43.6 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.054 0.39 . . . . 74.2 112.054 176.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 1.018 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -52.7 -63.05 1.27 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 114.323 1.231 . . . . 73.11 114.323 -169.68 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -46.56 -51.07 16.36 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.881 0.738 . . . . 72.14 111.587 -173.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.0 tttm 48.11 94.43 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.824 1.046 . . . . 72.23 113.824 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -90.0 -85.23 0.22 Allowed 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.812 -0.555 . . . . 74.52 110.105 170.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -116.45 15.24 15.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.186 -0.461 . . . . 72.3 109.978 176.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 66.3 m 72.58 -0.38 3.33 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.142 -0.935 . . . . 74.34 110.416 -173.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.23 150.99 20.92 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.919 -1.141 . . . . 73.43 107.919 175.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 175.55 98.83 0.11 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.27 -0.967 . . . . 55.41 113.202 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.583 HD13 HD22 ' A' ' 52' ' ' LEU . 3.0 tm? 74.61 127.34 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.62 0.724 . . . . 74.41 111.735 171.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.491 HE21 ' C ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -113.49 -174.55 2.48 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.623 -0.717 . . . . 63.41 109.928 177.426 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -82.88 -23.5 33.59 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 113.441 0.904 . . . . 73.52 113.441 -168.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -89.39 -27.94 20.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.311 0.577 . . . . 73.55 110.534 -178.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -87.36 -3.04 59.02 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.365 -0.834 . . . . 74.11 110.781 177.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.583 HD22 HD13 ' A' ' 47' ' ' LEU . 3.2 tm? -81.81 105.94 13.34 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.081 -0.711 . . . . 74.13 109.081 175.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.496 ' O ' HD23 ' A' ' 57' ' ' LEU . 77.9 p -135.04 174.02 11.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.98 -0.554 . . . . 72.11 110.466 -178.038 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.578 ' HG2' ' HD1' ' A' ' 103' ' ' PHE . 9.2 tm-20 -57.74 -38.74 75.87 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.22 -0.659 . . . . 74.35 109.22 171.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.85 -41.94 88.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.491 -0.777 . . . . 72.2 110.647 176.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.475 ' CE2' ' HG ' ' A' ' 47' ' ' LEU . 71.0 t80 -66.67 -44.66 81.24 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.877 -0.329 . . . . 73.45 110.653 179.371 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.53 HD11 HD23 ' A' ' 79' ' ' LEU . 4.3 mm? -54.59 -42.22 70.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.227 0.537 . . . . 70.0 110.101 176.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.443 ' HD3' ' N ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -66.86 -43.49 83.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.445 -0.798 . . . . 74.31 111.387 176.358 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.443 ' N ' ' HD3' ' A' ' 58' ' ' ARG . 31.4 t70 -69.04 -42.77 75.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.85 0.357 . . . . 72.52 111.169 -177.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -66.73 -32.57 73.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.297 -0.411 . . . . 74.42 109.932 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 50.3 tp -59.2 -49.68 76.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.901 -0.59 . . . . 62.51 110.204 173.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.97 -46.7 95.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.685 -0.688 . . . . 75.53 110.715 177.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -57.56 -37.79 73.72 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.018 -0.537 . . . . 74.02 110.601 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.698 ' HG2' ' HB2' ' A' ' 75' ' ' ALA . 8.4 tpp -62.2 -42.86 99.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.696 -0.684 . . . . 73.41 110.791 178.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -78.82 -41.0 31.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.94 -0.573 . . . . 71.51 110.543 -177.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -74.47 -65.04 0.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.993 -0.549 . . . . 74.03 111.561 -176.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.5 m -80.99 -49.84 10.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.247 -0.433 . . . . 72.21 111.778 -174.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 64' ' ' MET . 87.1 mt -77.75 -14.47 59.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.649 -0.25 . . . . 74.13 111.36 -174.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 60.6 m 65.15 27.69 12.32 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.645 0.59 . . . . 70.51 111.946 174.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -104.86 151.14 24.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.203 0.525 . . . . 73.54 111.198 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.41 165.97 23.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.454 -0.794 . . . . 73.24 111.708 -176.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -56.33 -39.01 72.12 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.692 -0.685 . . . . 74.01 111.179 -178.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.1 m -59.66 -41.0 89.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.766 0.317 . . . . 42.01 111.139 -178.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.3 m -72.99 -42.14 63.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.017 0.437 . . . . 61.31 110.211 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.698 ' HB2' ' HG2' ' A' ' 64' ' ' MET . . . -61.53 -47.61 84.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.879 -0.6 . . . . 72.13 111.262 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -57.79 -39.58 77.85 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.974 -0.557 . . . . 62.23 111.35 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -70.41 -38.97 74.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.202 -0.454 . . . . 71.12 111.234 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.404 ' O ' HG13 ' A' ' 82' ' ' ILE . 96.0 m-20 -65.57 -38.91 90.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.036 0.446 . . . . 70.21 110.314 176.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.57 HD22 HD13 ' A' ' 82' ' ' ILE . 98.3 mt -68.93 -33.14 73.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.749 -0.66 . . . . 75.45 110.369 177.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.565 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 16.0 t -62.79 -33.33 74.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.043 -0.526 . . . . 75.53 111.178 178.228 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.57 -27.27 58.52 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.777 -0.369 . . . . 74.31 110.92 175.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.57 HD13 HD22 ' A' ' 79' ' ' LEU . 60.9 mt -66.56 -46.39 86.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 73.11 111.044 178.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.565 ' HG3' ' O ' ' A' ' 80' ' ' SER . 3.2 pptp? -59.06 -28.76 66.77 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.741 -0.208 . . . . 74.54 111.137 179.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.491 HD11 ' HZ2' ' A' ' 83' ' ' LYS . 46.8 mm -61.05 -52.96 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 121.071 -0.252 . . . . 62.31 111.247 177.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.58 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 1.9 p90 -73.52 -32.95 64.52 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 120.584 -0.446 . . . . 74.23 110.472 -176.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.544 ' O ' HG13 ' A' ' 90' ' ' ILE . 73.2 t -64.19 -48.86 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.68 -0.489 . . . . 74.01 109.68 175.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.47 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 1.7 m -58.01 -38.6 76.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.594 -0.73 . . . . 75.21 111.169 176.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.5 -33.79 76.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.036 0.446 . . . . 63.21 111.198 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.54 -28.17 58.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.312 -0.404 . . . . 63.42 110.912 177.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.57 HG12 ' HB3' ' A' ' 95' ' ' MET . 75.5 mt -70.18 -41.63 78.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.469 -0.332 . . . . 72.41 111.058 -179.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -65.75 -34.5 78.34 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.842 -0.343 . . . . 72.43 111.074 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -89.59 -1.12 57.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.197 0.522 . . . . 74.03 110.932 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.03 17.84 73.61 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.83 -0.623 . . . . 71.23 113.912 172.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -83.05 -29.6 28.69 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.601 -0.889 . . . . 72.32 108.601 175.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.57 ' HB3' HG12 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -111.2 124.45 52.24 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 107.884 -1.154 . . . . 72.11 107.884 172.018 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -81.85 -37.18 27.36 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 113.404 0.89 . . . . 74.31 113.404 -168.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -139.3 147.42 41.59 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.45 -0.5 . . . . 74.23 111.22 -170.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.13 139.32 65.0 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 116.003 -0.544 . . . . 70.53 111.297 -178.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.414 ' HD2' ' H ' ' A' ' 100' ' ' PHE . 40.6 Cg_endo -96.08 -23.94 0.13 Allowed 'Trans proline' 0 N--CA 1.448 -1.191 0 C-N-CA 123.142 2.562 . . . . 72.12 111.889 170.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.682 ' HA ' ' HB3' ' A' ' 103' ' ' PHE . 98.0 m-85 -84.58 -15.25 46.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.995 -0.548 . . . . 74.33 110.84 -174.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.92 -38.49 91.15 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 109.325 -0.62 . . . . 71.5 109.325 175.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.7 -28.93 22.81 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 115.822 -0.626 . . . . 74.34 110.624 175.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.682 ' HB3' ' HA ' ' A' ' 100' ' ' PHE . 71.4 t80 -61.67 -35.47 78.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.536 -0.756 . . . . 75.32 109.871 177.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -72.94 -69.83 1.33 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.662 -0.78 . . . . 51.5 111.159 171.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 52.1 tp 178.29 143.2 0.11 Allowed 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.617 -0.512 . . . . 73.14 109.617 177.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.07 90.4 3.62 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.947 -0.76 . . . . 74.55 108.947 176.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -83.48 115.15 21.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.945 -0.57 . . . . 75.15 110.512 -175.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -73.78 75.07 1.59 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.574 -0.739 . . . . 75.5 111.244 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -82.31 107.16 14.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.442 -0.799 . . . . 73.53 109.024 173.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.0 t60 62.43 -140.52 0.42 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.398 -0.964 . . . . 71.33 108.398 -177.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 58.4 m170 69.21 15.77 8.57 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.691 0.281 . . . . 73.42 111.66 173.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.456 -0.783 . . . . 72.0 109.814 178.492 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 121.024 0.44 . . . . 74.12 110.708 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -84.57 156.11 21.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.167 -0.469 . . . . 62.54 109.773 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.4 t30 58.15 79.93 0.3 Allowed Pre-proline 0 C--N 1.33 -0.274 0 O-C-N 123.623 0.577 . . . . 53.53 109.724 -172.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -64.67 -50.05 2.72 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.822 2.348 . . . . 74.25 112.166 -176.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 m -87.72 110.13 20.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.074 -0.512 . . . . 72.15 110.474 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -85.6 6.4 27.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.65 0.738 . . . . 71.31 110.987 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.438 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 1.6 p90 -118.03 108.08 14.8 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.297 -0.865 . . . . 75.34 111.551 -177.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -94.69 -16.39 23.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.118 -0.947 . . . . 74.14 109.678 172.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 m -102.33 145.47 29.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.044 -0.98 . . . . 74.24 111.515 -171.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.483 ' O ' HG22 ' A' ' 14' ' ' VAL . 35.2 p90 -55.33 -42.52 73.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.103 -0.499 . . . . 72.12 110.851 177.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -66.5 -32.51 73.92 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.585 -0.28 . . . . 75.45 111.629 -178.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.438 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 1.1 m-20 -80.49 -34.69 35.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.652 -0.249 . . . . 73.32 111.085 179.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.496 ' CD2' ' HD1' ' A' ' 85' ' ' TYR . 65.8 t80 -60.0 -49.3 78.2 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.705 -0.48 . . . . 75.35 109.705 174.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 10' ' ' PHE . 84.9 t -58.65 -45.09 90.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.818 -0.628 . . . . 50.24 110.668 178.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.35 97.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.412 -0.358 . . . . 54.13 111.421 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.87 -44.32 73.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 120.757 0.313 . . . . 75.25 110.852 -179.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -64.82 -34.43 78.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.518 0.675 . . . . 75.22 109.801 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.449 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 30.4 ttm -71.19 -26.75 63.09 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.184 -0.916 . . . . 72.32 111.231 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -50.87 -48.7 60.17 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.72 0.295 . . . . 73.23 111.414 175.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.9 m -69.67 -33.63 72.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.37 0.605 . . . . 43.0 110.24 177.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.449 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 80.3 t80 -66.96 -30.58 70.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.6 -0.727 . . . . 75.31 110.493 177.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.501 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 31.9 t -71.15 -14.48 62.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.789 -0.641 . . . . 75.34 111.158 -178.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -63.02 -31.8 73.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.329 0.585 . . . . 71.34 109.543 173.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -105.78 13.32 29.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.467 -0.788 . . . . 70.24 110.141 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.633 ' HG ' HG21 ' A' ' 29' ' ' THR . 13.7 tp -124.75 142.51 51.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.169 -0.469 . . . . 64.05 110.061 -176.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.53 154.97 41.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.78 0.324 . . . . 73.44 110.287 173.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.7 mt -65.88 -34.53 70.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.895 -0.593 . . . . 74.42 110.183 178.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.3 -58.82 12.38 Favored Glycine 0 CA--C 1.518 0.27 0 CA-C-N 115.836 -0.62 . . . . 52.33 112.594 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.633 HG21 ' HG ' ' A' ' 25' ' ' LEU . 1.8 t -66.0 -42.5 89.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.474 0.137 . . . . 75.4 111.011 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -51.5 -53.14 40.64 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 111.633 0.235 . . . . 72.21 111.633 176.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.885 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 36.2 ptt180 -71.48 -20.57 62.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.45 0.167 . . . . 75.33 111.301 -175.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -66.68 -24.71 66.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.156 0.503 . . . . 71.51 110.345 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -132.36 39.52 3.38 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.994 -0.743 . . . . 70.34 108.994 176.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.885 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 78.1 tttt -72.42 -69.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.798 -1.092 . . . . 74.25 111.399 -175.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.9 p -93.28 -71.87 0.63 Allowed 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 120.929 -0.308 . . . . 70.41 111.04 -177.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 61.2 m 44.81 -86.78 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.868 0.867 . . . . 73.45 112.818 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.563 ' HB3' HD22 ' A' ' 78' ' ' ASN . 22.8 ptt? -70.96 -26.59 63.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 63.14 111.15 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -75.43 -29.66 59.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.934 0.873 . . . . 74.3 109.635 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -36.35 24.31 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.276 -1.329 . . . . 51.41 111.416 -179.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.511 ' HZ ' ' HE1' ' A' ' 63' ' ' TYR . 14.7 t80 -73.18 -28.67 62.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.117 -0.492 . . . . 74.23 109.952 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.489 ' HD2' ' O ' ' A' ' 40' ' ' PHE . 5.2 mptp? -139.23 100.21 3.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.84 -0.618 . . . . 75.33 110.709 -178.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -64.88 -68.19 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.619 0.723 . . . . 73.05 109.328 175.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -123.6 126.08 45.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.0 -1.0 . . . . 73.3 108.937 176.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.409 ' C ' ' HG2' ' A' ' 45' ' ' GLU . 2.9 p -146.35 -85.92 0.11 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.414 -0.357 . . . . 64.44 111.087 -172.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.415 ' HB2' ' H ' ' A' ' 46' ' ' GLY . 1.5 pm0 43.29 -153.94 0.02 OUTLIER 'General case' 0 C--N 1.346 0.44 0 C-N-CA 123.513 0.725 . . . . 72.23 112.559 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.415 ' H ' ' HB2' ' A' ' 45' ' ' GLU . . . 92.04 -13.44 66.96 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.465 -0.874 . . . . 74.23 111.603 -177.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.425 HD23 ' C ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -87.29 156.22 19.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.909 0.385 . . . . 61.04 110.21 176.303 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -110.72 -178.97 3.62 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.728 -0.669 . . . . 74.11 111.641 -173.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -67.55 -53.23 30.16 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.001 -1.0 . . . . 73.31 111.414 -175.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -85.99 3.06 43.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.414 0.625 . . . . 72.34 109.72 -176.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -81.34 -31.06 33.61 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.914 -0.772 . . . . 74.32 108.914 173.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.602 HD13 ' HG3' ' A' ' 99' ' ' PRO . 0.2 OUTLIER -74.15 85.48 1.86 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.442 -0.799 . . . . 71.44 109.077 177.282 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.42 ' O ' HD21 ' A' ' 57' ' ' LEU . 6.1 p -133.71 -177.46 4.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.757 -0.656 . . . . 62.22 111.354 -174.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -52.66 -43.74 65.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.021 -0.536 . . . . 75.41 110.637 177.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -56.96 -39.05 73.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.84 -0.618 . . . . 64.05 111.247 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -69.98 -51.83 29.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 74.42 110.681 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.42 HD21 ' O ' ' A' ' 53' ' ' THR . 4.3 mm? -59.49 -37.01 77.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.961 -0.563 . . . . 74.11 110.55 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.451 ' O ' HG12 ' A' ' 62' ' ' ILE . 24.6 ttt180 -58.82 -52.71 64.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.489 -0.778 . . . . 74.34 110.582 178.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -71.08 -42.3 69.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 74.14 111.489 -176.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.442 ' HD2' HD22 ' A' ' 79' ' ' LEU . 61.3 t80 -64.92 -37.7 88.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.357 -0.383 . . . . 75.12 110.167 -178.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.5 tp -59.5 -52.8 64.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.883 -0.599 . . . . 73.21 110.061 175.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.451 HG12 ' O ' ' A' ' 58' ' ' ARG . 46.4 mm -59.03 -44.32 91.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.702 -0.681 . . . . 75.05 111.464 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.511 ' HE1' ' HZ ' ' A' ' 40' ' ' PHE . 45.0 t80 -60.57 -43.49 97.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.31 0.576 . . . . 75.32 110.467 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.845 ' HE1' ' HB2' ' A' ' 75' ' ' ALA . 9.2 ttp -69.15 -42.21 76.25 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.464 -0.789 . . . . 72.44 111.331 -177.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.733 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -75.85 -15.79 60.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.459 -0.337 . . . . 71.44 111.876 -177.061 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -99.15 -63.41 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.071 0.463 . . . . 51.43 111.26 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.3 m -75.66 -43.4 47.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.839 -0.618 . . . . 75.14 112.082 -172.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.549 HD11 ' HG3' ' A' ' 64' ' ' MET . 66.1 mt -78.41 0.24 26.5 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.943 -0.303 . . . . 73.11 111.467 -175.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 58.2 m 62.18 28.3 16.99 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.956 -0.565 . . . . 71.33 112.221 171.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.733 ' O ' ' HA ' ' A' ' 65' ' ' LYS . 37.6 m-80 -121.43 151.36 40.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.834 -0.432 . . . . 63.55 109.834 175.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.26 166.67 21.15 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.744 0.307 . . . . 72.43 110.909 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -58.47 -35.07 71.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.073 -0.512 . . . . 73.41 111.184 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.8 m -56.49 -38.45 71.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.854 0.359 . . . . 52.41 110.822 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.7 m -80.42 -43.33 21.14 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.151 0.501 . . . . 65.13 110.198 177.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.845 ' HB2' ' HE1' ' A' ' 64' ' ' MET . . . -59.78 -35.86 75.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.498 -0.774 . . . . 65.12 111.882 -177.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -60.97 -32.96 72.49 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.405 -0.361 . . . . 63.43 111.429 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -68.14 -38.7 82.45 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.237 -0.282 . . . . 74.02 110.237 176.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.563 HD22 ' HB3' ' A' ' 37' ' ' MET . 0.2 OUTLIER -70.43 -24.49 62.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.356 0.598 . . . . 72.52 109.891 179.058 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.442 HD22 ' HD2' ' A' ' 60' ' ' TYR . 87.5 mt -81.49 -33.27 32.03 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.168 0.509 . . . . 52.53 110.307 175.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.8 m -68.37 -23.35 64.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.811 -0.631 . . . . 70.51 111.907 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.8 p -73.46 -37.12 65.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.013 0.435 . . . . 65.14 110.277 175.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.36 -32.39 57.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.971 -0.558 . . . . 71.31 109.713 174.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.516 ' O ' ' HB2' ' A' ' 87' ' ' SER . 2.2 tmtp? -61.2 -30.78 70.63 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 115.885 -0.598 . . . . 74.44 110.348 177.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 51.4 mm -65.64 -38.38 82.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 120.863 0.363 . . . . 71.41 110.171 176.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.496 ' HD1' ' CD2' ' A' ' 13' ' ' PHE . 68.4 t80 -68.84 -49.78 55.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 74.11 110.185 177.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.617 ' O ' HG13 ' A' ' 90' ' ' ILE . 86.7 t -60.19 -46.1 95.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.578 -0.737 . . . . 73.03 110.923 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.619 ' HA ' HD11 ' A' ' 90' ' ' ILE . 0.4 OUTLIER -59.75 -39.27 84.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.088 -0.505 . . . . 75.02 111.743 -179.74 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.87 92.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.279 0.561 . . . . 74.34 110.144 176.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.571 ' HA ' ' HA3' ' A' ' 93' ' ' GLY . . . -71.08 -21.89 62.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.325 -0.852 . . . . 61.43 111.391 178.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.619 HD11 ' HA ' ' A' ' 87' ' ' SER . 97.4 mt -73.51 -41.92 56.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.522 -0.308 . . . . 74.02 111.127 178.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -72.61 -47.58 46.63 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 120.729 -0.388 . . . . 74.53 110.774 -175.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -153.64 67.45 0.76 Allowed 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 123.527 0.517 . . . . 72.23 110.193 177.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.571 ' HA3' ' HA ' ' A' ' 89' ' ' ALA . . . -138.11 -83.98 0.12 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.52 -0.848 . . . . 73.22 112.538 177.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -169.28 -16.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.046 0.45 . . . . 75.11 110.715 -173.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 99.3 mmm -82.3 137.98 34.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.926 -0.579 . . . . 74.33 110.955 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -78.58 -48.94 14.17 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.799 -0.637 . . . . 73.22 109.344 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -148.56 178.15 8.87 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.622 -0.881 . . . . 63.41 108.622 175.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.428 ' HB3' HD12 ' A' ' 90' ' ' ILE . 6.3 p-10 -89.82 146.52 35.53 Favored Pre-proline 0 N--CA 1.441 -0.883 0 N-CA-C 110.003 -0.369 . . . . 75.14 110.003 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.602 ' HG3' HD13 ' A' ' 52' ' ' LEU . 35.8 Cg_endo -65.05 -18.25 61.4 Favored 'Trans proline' 0 N--CA 1.467 -0.085 0 C-N-CA 122.649 2.233 . . . . 74.11 111.874 177.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.441 ' HZ ' ' HB3' ' A' ' 79' ' ' LEU . 76.1 m-85 -76.4 -18.86 58.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.0 -0.545 . . . . 75.15 110.673 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.528 ' HD2' ' C ' ' A' ' 101' ' ' LYS . 0.6 OUTLIER -68.64 -36.98 79.31 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 121.739 0.781 . . . . 73.24 108.997 175.805 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -103.81 6.58 36.75 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.179 -0.919 . . . . 74.25 110.173 -175.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -81.07 79.69 7.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.431 -0.804 . . . . 73.41 109.862 -177.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 118.62 -85.23 0.39 Allowed Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.2 -0.909 . . . . 61.32 111.456 -179.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.7 tp 53.58 90.66 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.187 0.595 . . . . 71.04 111.87 177.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -73.27 170.22 15.46 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.867 -0.333 . . . . 61.34 110.181 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 57.0 t60 61.1 75.31 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.568 0.699 . . . . 73.14 109.97 -168.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.527 ' O ' ' HB2' ' A' ' 109' ' ' HIS . 6.2 p-80 -141.16 146.24 36.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.484 -0.78 . . . . 73.12 109.457 176.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . 0.527 ' HB2' ' O ' ' A' ' 108' ' ' HIS . 9.8 m80 72.95 -171.2 0.14 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.773 0.671 . . . . 73.35 109.767 -174.188 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 62.53 51.93 3.09 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.09 0.404 . . . . 73.22 112.09 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -77.06 -36.83 55.65 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.286 -1.005 . . . . 73.35 108.286 172.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 25.5 p-80 . . . . . 0 C--O 1.241 0.65 0 CA-C-N 114.547 -1.206 . . . . 73.02 108.524 171.509 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.889 0.376 . . . . 71.11 110.186 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 67.53 88.03 0.11 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.324 -0.853 . . . . 72.41 109.861 -172.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -68.99 143.03 93.99 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.738 -0.664 . . . . 75.01 110.591 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -69.09 102.38 0.91 Allowed 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.73 2.286 . . . . 73.23 110.937 174.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 m 66.76 78.44 0.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.586 -0.734 . . . . 64.13 110.914 -175.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -84.18 3.78 33.53 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 122.304 1.049 . . . . 73.21 108.899 174.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -126.45 153.47 45.01 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 113.882 -1.508 . . . . 64.22 107.865 172.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -22.86 66.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.938 0.399 . . . . 70.4 111.746 -176.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.7 t -140.3 152.39 45.82 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.19 -0.459 . . . . 54.21 110.357 175.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.609 ' O ' HG21 ' A' ' 14' ' ' VAL . 92.3 m-85 -65.84 -28.4 68.95 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 109.546 -0.538 . . . . 73.33 109.546 175.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -56.78 -39.64 74.46 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.917 -0.583 . . . . 72.21 110.277 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.92 -38.07 79.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.442 -0.799 . . . . 64.35 110.897 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -70.23 -45.44 66.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.947 -0.57 . . . . 70.14 110.215 177.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.609 HG21 ' O ' ' A' ' 10' ' ' PHE . 96.0 t -60.28 -46.96 94.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.023 -0.535 . . . . 75.25 110.778 178.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.498 ' HA ' ' HB3' ' A' ' 18' ' ' MET . . . -56.66 -33.31 66.24 Favored 'General case' 0 C--N 1.332 -0.169 0 O-C-N 123.416 0.448 . . . . 71.22 111.8 -177.029 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 t -61.23 -46.12 91.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.849 0.357 . . . . 74.43 110.556 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -77.94 -38.45 45.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.124 0.487 . . . . 64.53 110.271 176.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.593 ' SD ' ' HE1' ' A' ' 21' ' ' TYR . 52.4 tpp -57.33 -42.61 82.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.296 -0.865 . . . . 71.21 112.092 -175.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.586 ' HD2' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -62.11 -21.41 64.97 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 111.787 0.291 . . . . 71.54 111.787 -175.622 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.5 m -58.48 -60.24 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.61 -0.268 . . . . 73.53 111.171 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.593 ' HE1' ' SD ' ' A' ' 18' ' ' MET . 1.4 p90 -83.08 -26.23 31.27 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 120.771 -0.372 . . . . 75.14 110.464 -178.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.608 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 49.3 m -68.84 -18.05 64.1 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.01 0.433 . . . . 74.43 111.009 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 19' ' ' LYS . 2.5 tmt_? -64.42 -25.34 67.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.888 -0.597 . . . . 72.21 109.441 176.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -105.77 21.88 16.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.022 -0.535 . . . . 63.3 110.659 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.608 ' HG ' ' HA ' ' A' ' 22' ' ' SER . 66.5 mt -103.16 165.73 10.85 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 109.673 -0.492 . . . . 62.31 109.673 175.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -80.76 165.78 21.6 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.001 -0.545 . . . . 73.45 109.978 172.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.3 mm -59.18 -43.4 89.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.008 -0.542 . . . . 71.33 110.445 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.31 -35.03 91.01 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.9 -0.667 . . . . 51.24 112.415 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.549 HG23 HD12 ' A' ' 25' ' ' LEU . 33.9 m -76.02 -46.38 29.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.785 0.326 . . . . 73.1 110.874 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.441 ' CD1' ' HE2' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -57.85 -49.24 77.35 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.945 -0.391 . . . . 62.21 109.945 176.058 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.617 ' HA ' ' CG ' ' A' ' 34' ' ' LYS . 46.4 ttt180 -67.62 -21.37 65.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.129 -0.487 . . . . 72.33 111.472 -178.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -59.85 -23.07 63.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.034 -0.53 . . . . 75.15 111.077 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -132.16 39.84 3.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.202 0.525 . . . . 73.43 110.698 177.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.617 ' CG ' ' HA ' ' A' ' 31' ' ' ARG . 42.8 mmtt -93.02 -71.02 0.67 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.81 -0.632 . . . . 72.31 111.181 176.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.3 m -72.0 -20.75 61.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.735 -0.666 . . . . 75.42 112.129 -171.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.2 m -54.15 -58.45 7.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.799 0.333 . . . . 71.14 111.444 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 83.8 mtp -67.57 -25.45 65.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.973 0.416 . . . . 54.34 110.964 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.18 -43.86 73.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.904 -0.589 . . . . 74.21 111.423 -174.102 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -81.47 -13.25 58.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.451 -0.34 . . . . 74.12 111.725 -175.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -81.01 4.14 20.68 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.14 0.422 . . . . 73.14 112.14 -176.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.575 ' C ' ' HD3' ' A' ' 41' ' ' LYS . 10.6 tmtt? -88.66 93.64 9.63 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.566 0.698 . . . . 75.11 110.032 -178.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -97.72 -64.9 1.0 Allowed 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.895 -1.048 . . . . 75.25 108.641 164.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -138.19 112.3 8.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.544 -0.753 . . . . 74.11 110.977 178.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.6 p -91.62 79.5 5.45 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.21 -0.663 . . . . 73.31 109.21 172.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -70.43 178.83 2.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.901 -1.045 . . . . 71.45 111.073 -172.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -74.48 84.94 0.74 Allowed Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 116.142 -0.481 . . . . 74.22 112.146 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.564 HD23 ' HB2' ' A' ' 52' ' ' LEU . 9.8 tt -85.45 108.86 18.08 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.431 -0.385 . . . . 74.02 110.459 178.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -82.32 176.85 9.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 73.41 110.563 176.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -58.91 -40.5 84.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.932 -0.576 . . . . 63.44 111.835 -177.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -90.84 8.81 32.99 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.074 0.464 . . . . 72.24 110.808 -177.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -89.98 -24.87 21.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.399 -0.593 . . . . 74.12 109.399 174.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.564 ' HB2' HD23 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -88.34 88.47 7.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.697 -0.853 . . . . 71.54 108.697 175.448 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.46 ' O ' HD23 ' A' ' 57' ' ' LEU . 72.7 p -124.07 177.25 5.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.328 -0.396 . . . . 63.13 111.239 -175.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.56 -37.14 82.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.976 -0.557 . . . . 73.45 109.658 173.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -60.89 -44.33 97.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.577 -0.738 . . . . 71.04 110.149 177.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -59.83 -51.54 69.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.885 -0.598 . . . . 75.22 110.561 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.539 HD12 HD22 ' A' ' 79' ' ' LEU . 4.2 mm? -58.23 -43.15 87.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.885 0.374 . . . . 72.34 110.875 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.434 ' O ' HG12 ' A' ' 62' ' ' ILE . 53.8 ttt180 -64.82 -49.86 68.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.723 -0.671 . . . . 73.22 111.28 -178.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -69.69 -38.69 77.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.305 -0.407 . . . . 72.33 111.037 -176.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -64.94 -37.2 86.86 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.615 -0.513 . . . . 75.11 109.615 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.2 tp -61.27 -52.44 64.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.466 -0.788 . . . . 73.34 110.504 175.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.434 HG12 ' O ' ' A' ' 58' ' ' ARG . 49.5 mm -60.09 -44.37 94.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.776 -0.647 . . . . 74.12 110.984 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -58.65 -45.13 89.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.041 0.448 . . . . 74.13 110.638 178.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.715 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 30.5 ttm -65.08 -49.72 68.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.423 0.63 . . . . 74.14 110.615 -179.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -58.22 -51.05 71.37 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.953 -1.021 . . . . 75.23 111.045 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -81.45 -64.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.809 0.67 . . . . 73.54 112.809 -173.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 62.3 m -73.37 -42.7 61.86 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.833 0.309 . . . . 73.31 111.833 -171.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.459 HD11 ' HA ' ' A' ' 64' ' ' MET . 84.3 mt -84.52 -15.43 45.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.744 0.306 . . . . 70.13 110.558 -179.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 33.0 t 62.34 42.24 9.36 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.525 -0.761 . . . . 73.42 110.957 178.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.715 ' HB2' ' HG2' ' A' ' 64' ' ' MET . 4.1 m-20 -91.66 147.24 23.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.323 -0.399 . . . . 53.51 110.08 174.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.74 166.8 22.87 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.093 -0.503 . . . . 72.55 110.754 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -53.8 -52.98 58.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.079 -0.51 . . . . 63.22 111.555 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.1 m -65.69 -30.57 71.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.886 0.374 . . . . 74.15 111.029 -177.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.5 m -69.35 -40.63 77.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.217 0.532 . . . . 74.13 110.253 178.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.658 ' HA ' ' SD ' ' A' ' 64' ' ' MET . . . -71.01 -42.22 69.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.849 -0.614 . . . . 63.23 110.701 178.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -57.71 -47.3 82.77 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.723 -0.672 . . . . 63.53 111.375 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -67.63 -29.32 68.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.648 0.261 . . . . 73.41 110.961 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -70.71 -49.7 44.17 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 120.967 0.413 . . . . 70.52 110.161 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.539 HD22 HD12 ' A' ' 57' ' ' LEU . 90.3 mt -62.0 -29.99 70.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.833 -0.621 . . . . 75.24 110.68 178.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.531 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 75.7 m -55.1 -47.59 74.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.864 -0.607 . . . . 73.23 111.6 176.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.3 p -61.71 -36.39 80.8 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.144 0.497 . . . . 73.23 110.903 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.414 HG23 ' HE2' ' A' ' 85' ' ' TYR . 65.1 mt -67.76 -52.65 37.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.679 -0.691 . . . . 62.25 110.515 178.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.531 ' HG3' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -62.74 -29.27 70.56 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.525 -0.307 . . . . 64.4 111.218 -178.366 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 80' ' ' SER . 68.3 mt -61.68 -51.18 75.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 121.186 -0.205 . . . . 73.24 111.073 175.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.414 ' HE2' HG23 ' A' ' 82' ' ' ILE . 1.2 p90 -73.24 -34.83 66.09 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 120.4 -0.52 . . . . 73.03 110.557 -176.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.615 ' O ' HG13 ' A' ' 90' ' ' ILE . 77.5 t -63.93 -44.73 98.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.811 -0.44 . . . . 74.32 109.811 175.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.627 ' HA ' HD13 ' A' ' 90' ' ' ILE . 3.2 m -61.62 -37.8 85.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.537 -0.756 . . . . 64.02 111.334 178.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.05 -36.82 84.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.109 0.48 . . . . 75.22 110.188 175.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.2 -22.22 64.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.58 -0.736 . . . . 72.24 111.305 177.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.627 HD13 ' HA ' ' A' ' 87' ' ' SER . 69.1 mt -77.94 -30.6 16.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.004 0.43 . . . . 72.1 110.525 177.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -69.09 -44.51 72.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 71.15 111.152 -176.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -157.38 60.35 0.5 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.28 0.562 . . . . 72.52 110.06 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -138.13 -99.33 0.49 Allowed Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.396 -0.907 . . . . 74.53 112.516 178.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -149.69 -29.86 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.898 0.38 . . . . 73.44 110.9 -173.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 93.4 mmm -62.45 126.3 26.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.49 . . . . 72.32 110.709 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -59.06 -51.85 68.29 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.788 0.804 . . . . 72.44 111.18 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -167.06 158.93 12.69 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.026 -1.443 . . . . 73.14 108.505 -157.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.402 ' OD1' ' HE2' ' A' ' 101' ' ' LYS . 3.9 p-10 -81.36 142.16 50.19 Favored Pre-proline 0 N--CA 1.444 -0.747 0 CA-C-O 121.445 0.64 . . . . 52.33 111.963 -173.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.533 ' HG3' HD12 ' A' ' 52' ' ' LEU . 94.9 Cg_endo -83.68 -2.48 10.4 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 123.42 2.746 . . . . 64.04 110.543 171.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.684 ' HA ' ' HD2' ' A' ' 103' ' ' PHE . 7.4 t80 -94.02 9.1 38.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.307 -1.315 . . . . 74.04 109.764 -178.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.429 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 17.3 mmtt -48.16 -51.68 23.98 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 114.779 -1.1 . . . . 71.22 112.254 -176.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.95 -18.26 37.85 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.283 -0.417 . . . . 74.2 111.508 -175.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.684 ' HD2' ' HA ' ' A' ' 100' ' ' PHE . 99.2 m-85 -73.43 -28.58 62.06 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.203 -0.665 . . . . 63.44 109.203 176.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -85.43 -67.19 1.4 Allowed Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 110.515 -1.034 . . . . 65.22 110.515 170.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.4 tt 55.2 95.47 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.872 0.869 . . . . 75.35 112.07 174.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -98.21 126.03 43.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.228 -0.442 . . . . 73.53 110.812 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -91.22 116.11 28.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.989 -0.55 . . . . 73.44 109.733 174.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -76.16 162.46 27.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.83 -0.623 . . . . 64.21 110.879 -175.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -110.27 121.75 46.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.018 -0.537 . . . . 75.23 109.592 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -68.36 133.19 48.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.02 0.438 . . . . 74.21 110.849 -176.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -78.17 -51.45 10.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.695 -0.684 . . . . 74.3 109.227 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 . . . . . 0 C--O 1.248 0.982 0 CA-C-N 115.505 -0.771 . . . . 75.24 108.935 175.761 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.628 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 121.454 0.645 . . . . 72.52 111.118 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -93.95 -18.65 21.69 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.202 -0.908 . . . . 74.5 110.95 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.814 ' HA ' ' HA2' ' A' ' 46' ' ' GLY . 23.2 t -111.75 152.31 27.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.145 -0.479 . . . . 75.51 111.273 -173.311 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.498 ' O ' HG23 ' A' ' 14' ' ' VAL . 31.0 p90 -54.78 -41.99 71.2 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.769 -0.651 . . . . 74.42 111.703 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.708 ' HB2' ' HB3' ' A' ' 37' ' ' MET . 3.1 p-80 -72.34 -25.23 61.46 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.01 0.433 . . . . 72.24 110.9 -176.142 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.628 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 3.9 m-20 -80.02 -37.01 34.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.301 -0.409 . . . . 72.33 110.395 174.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.557 ' CD1' ' HB2' ' A' ' 85' ' ' TYR . 19.5 t80 -62.01 -49.52 75.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.738 -0.664 . . . . 74.35 109.775 178.299 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.7 HG22 ' HB3' ' A' ' 85' ' ' TYR . 92.0 t -59.46 -46.9 92.4 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.303 0 CA-C-N 115.765 -0.652 . . . . 73.13 110.598 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.58 -33.2 67.93 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.933 0.345 . . . . 55.42 111.933 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.414 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 35.6 t -83.67 -51.12 7.54 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 121.066 -0.254 . . . . 74.14 111.222 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -65.74 -28.15 68.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.677 0.275 . . . . 70.35 110.691 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 50.1 tpp -52.14 -28.32 17.54 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 115.787 -0.642 . . . . 63.44 111.881 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.464 ' HA ' ' OG ' ' A' ' 22' ' ' SER . 22.2 ptmt -50.77 -30.39 13.96 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.821 0.343 . . . . 73.4 111.485 178.223 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 m -71.45 -24.34 62.0 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.279 0.561 . . . . 74.45 110.683 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -101.72 -33.52 9.82 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.873 -0.603 . . . . 74.42 111.361 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.464 ' OG ' ' HA ' ' A' ' 19' ' ' LYS . 38.1 p -66.79 -24.17 66.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.017 0.436 . . . . 73.14 111.026 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -17.81 64.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.429 0.633 . . . . 71.03 109.817 175.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 -127.31 23.27 6.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.538 -0.755 . . . . 73.13 110.463 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' A' ' 25' ' ' LEU . 9.3 tp -124.18 172.62 8.9 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.179 -1.045 . . . . 71.53 108.179 177.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.448 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -93.16 167.67 11.62 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 109.549 -0.538 . . . . 74.31 109.549 169.746 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.658 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 50.0 mm -77.41 -27.43 15.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 116.3 -0.409 . . . . 73.44 110.764 -173.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.25 -59.22 7.86 Favored Glycine 0 C--N 1.331 0.285 0 CA-C-N 116.079 -0.509 . . . . 61.21 113.543 -175.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.438 HG22 ' OE2' ' A' ' 26' ' ' GLU . 10.3 t -72.65 -41.4 65.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.99 0.395 . . . . 61.53 111.051 -178.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -50.09 -53.67 25.65 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 111.974 0.361 . . . . 73.21 111.974 176.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.658 ' HG2' ' O ' ' A' ' 27' ' ' ILE . 2.1 ptm180 -67.84 -28.92 67.97 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.662 0.268 . . . . 72.12 111.504 -176.311 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -70.67 -42.59 70.56 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.912 -0.315 . . . . 75.02 111.192 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -77.51 -25.63 50.47 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.647 -0.421 . . . . 73.31 110.396 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -58.88 -49.38 78.0 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.677 -0.692 . . . . 72.24 111.334 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.5 m -67.85 -36.14 79.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.102 0.477 . . . . 62.34 110.936 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.6 m -64.16 -55.68 20.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.655 . . . . 73.51 111.7 -176.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.708 ' HB3' ' HB2' ' A' ' 11' ' ' HIS . 73.0 mtm -60.9 -26.4 67.42 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.733 0.642 . . . . 74.22 112.733 -174.004 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.418 ' HD3' ' HA ' ' A' ' 38' ' ' ARG . 13.6 tpp180 -71.27 -51.33 25.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.88 0.371 . . . . 53.13 111.216 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -79.89 -6.42 57.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.149 0.499 . . . . 61.31 111.08 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.28 4.32 2.32 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.673 -0.694 . . . . 74.12 111.94 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -77.76 17.96 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.228 0.455 . . . . 75.52 112.228 -176.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.406 ' HG3' ' CD1' ' A' ' 43' ' ' TYR . 9.3 pt-20 -70.35 -36.3 74.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.707 0.289 . . . . 72.43 110.791 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.406 ' CD1' ' HG3' ' A' ' 42' ' ' GLU . 46.4 m-85 -83.86 -19.22 35.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.453 -0.34 . . . . 74.42 110.847 178.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.6 m 61.52 -164.42 0.24 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.751 -0.658 . . . . 63.3 110.945 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 72.1 158.91 0.2 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.369 0.604 . . . . 73.4 111.638 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.814 ' HA2' ' HA ' ' A' ' 9' ' ' SER . . . -89.84 -46.54 4.2 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.792 -0.64 . . . . 74.04 112.803 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.0 tt 72.27 108.61 0.07 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.155 0.582 . . . . 65.23 110.405 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -97.47 -168.96 1.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.744 -0.662 . . . . 53.43 111.533 -176.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.698 ' HE1' ' HB1' ' A' ' 89' ' ' ALA . 56.1 m-85 -57.13 -38.73 73.89 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.456 -0.793 . . . . 51.14 111.546 -177.393 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -80.05 -20.76 44.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.323 -0.399 . . . . 63.13 111.922 -172.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -86.46 -16.34 37.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.111 0.482 . . . . 73.25 110.466 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.49 ' CD1' ' HG3' ' A' ' 99' ' ' PRO . 1.2 tm? -85.21 97.21 9.78 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.687 -0.688 . . . . 52.23 109.417 178.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.474 ' O ' HD23 ' A' ' 57' ' ' LEU . 40.2 p -120.06 166.78 12.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.349 -0.387 . . . . 71.4 111.38 -177.03 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.57 ' HB3' ' HB2' ' A' ' 103' ' ' PHE . 2.6 mp0 -62.79 -38.75 91.86 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.129 -0.487 . . . . 63.14 109.925 176.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -67.79 -33.13 74.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.947 -0.569 . . . . 75.25 110.409 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -62.37 -51.0 69.36 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.953 -0.388 . . . . 64.4 109.953 175.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 53' ' ' THR . 4.5 mm? -58.35 -39.26 79.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.976 -0.556 . . . . 72.11 110.569 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 58' ' ' ARG . 28.8 ttt-85 -62.19 -53.79 50.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.8 -0.636 . . . . 53.23 111.128 176.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -63.4 -43.15 98.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 42.52 111.211 -176.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.7 -28.95 62.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.305 -0.407 . . . . 74.23 110.818 -177.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 58.5 tp -58.56 -52.19 66.69 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.21 -0.663 . . . . 60.35 109.21 171.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.428 ' O ' ' HB3' ' A' ' 66' ' ' LYS . 70.8 mt -59.7 -48.99 85.44 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.383 0 CA-C-N 115.204 -0.907 . . . . 55.13 110.535 177.1 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -55.74 -45.37 78.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.04 0.448 . . . . 60.21 111.663 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.488 ' O ' ' HB2' ' A' ' 68' ' ' LEU . 16.2 ttp -69.81 -40.79 75.71 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.136 0.493 . . . . 73.44 111.474 -176.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.546 ' O ' ' HA ' ' A' ' 69' ' ' CYS . 86.1 tttt -73.91 -40.78 62.89 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.822 -0.626 . . . . 64.32 111.36 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 67.1 tttt -85.41 -64.65 1.12 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.957 -0.565 . . . . 63.4 112.181 -174.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.5 m -74.08 -48.54 29.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.348 -0.387 . . . . 73.12 111.449 -173.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 64' ' ' MET . 89.9 mt -75.56 -26.68 58.18 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.019 -0.363 . . . . 64.01 110.019 178.348 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 8.5 t 63.91 85.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.423 -0.808 . . . . 63.41 111.169 177.488 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -139.56 166.54 24.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.532 -0.758 . . . . 71.54 109.997 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.9 162.95 25.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.457 -0.338 . . . . 65.11 110.735 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -59.79 -40.38 88.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.367 -0.379 . . . . 74.11 110.827 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.7 m -62.48 -42.01 99.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.871 0.367 . . . . 72.1 110.581 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.7 m -65.09 -44.76 87.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.955 -0.566 . . . . 72.12 110.394 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.81 -49.36 70.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.641 -0.709 . . . . 74.12 111.577 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -61.83 -39.09 90.58 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.929 0.395 . . . . 70.52 110.557 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -65.08 -43.91 90.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 75.24 111.567 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -69.21 -37.03 77.88 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.038 0.447 . . . . 70.05 110.938 -178.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.425 HD22 HD13 ' A' ' 57' ' ' LEU . 50.5 mt -69.58 -37.67 77.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.319 -0.401 . . . . 64.12 111.017 177.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.546 ' O ' HG12 ' A' ' 84' ' ' ILE . 13.0 p -71.85 -14.24 61.9 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.965 -0.294 . . . . 70.21 110.602 177.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.597 HG22 HG11 ' A' ' 14' ' ' VAL . 42.3 m -71.64 -40.52 69.64 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.381 -0.6 . . . . 65.32 109.381 173.343 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.55 HG23 ' HE2' ' A' ' 85' ' ' TYR . 94.7 mt -67.32 -40.41 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.702 -0.681 . . . . 54.51 109.205 172.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 87' ' ' SER . 14.0 tmtt? -55.44 -29.84 59.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.361 -0.836 . . . . 73.43 110.545 177.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.546 HG12 ' O ' ' A' ' 80' ' ' SER . 34.0 mm -57.04 -55.49 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.66 -0.245 . . . . 62.11 111.555 177.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.7 ' HB3' HG22 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -71.77 -33.16 68.39 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 120.488 -0.485 . . . . 72.12 109.909 -176.559 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.524 ' O ' HG13 ' A' ' 90' ' ' ILE . 74.6 t -59.92 -51.01 77.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.927 -0.579 . . . . 75.11 109.858 175.076 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.469 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 0.5 OUTLIER -62.62 -36.59 83.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.399 -0.819 . . . . 71.24 111.649 179.629 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.74 -43.42 98.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.18 0.514 . . . . 74.33 110.129 174.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.698 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -67.59 -22.58 65.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.435 -0.802 . . . . 63.15 111.085 177.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 86' ' ' VAL . 91.9 mt -81.4 -43.28 20.16 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-O 121.079 0.466 . . . . 70.52 110.781 175.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -68.54 -44.4 74.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.847 -0.615 . . . . 72.24 112.029 -172.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -139.29 19.08 2.58 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.798 0.332 . . . . 72.02 111.165 -177.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -105.89 -111.62 3.61 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.314 -0.946 . . . . 54.25 112.63 -177.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.12 -3.34 0.76 Allowed 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 120.691 0.281 . . . . 74.13 111.614 -175.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.515 ' SD ' HG13 ' A' ' 86' ' ' VAL . 7.2 ttt -89.96 139.49 30.55 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.5 -0.555 . . . . 73.44 109.5 -178.111 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -91.13 -45.58 8.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.178 0.513 . . . . 74.21 110.988 -173.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -133.89 149.12 51.31 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.88 -0.6 . . . . 70.43 110.555 -175.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -86.6 151.36 52.86 Favored Pre-proline 0 N--CA 1.446 -0.662 0 CA-C-N 115.796 -0.638 . . . . 73.32 109.781 176.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.49 ' HG3' ' CD1' ' A' ' 52' ' ' LEU . 28.7 Cg_endo -61.8 -35.49 78.72 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.619 2.213 . . . . 74.13 112.162 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.423 ' HA ' ' HB3' ' A' ' 103' ' ' PHE . 68.8 m-85 -70.43 -12.58 61.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.219 -0.446 . . . . 53.01 111.989 -176.28 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -72.46 -39.83 67.45 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 110.015 -0.365 . . . . 71.03 110.015 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -93.52 -30.6 14.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.3 0.572 . . . . 74.03 110.783 176.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.57 ' HB2' ' HB3' ' A' ' 54' ' ' GLU . 65.5 t80 . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 115.491 -0.777 . . . . 60.4 111.224 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 . . . . . 0 N--CA 1.444 -0.74 0 N-CA-C 109.589 -0.523 . . . . 71.4 109.589 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.703 ' HE3' ' HE1' ' A' ' 43' ' ' TYR . 49.3 mtmt -89.21 9.91 24.0 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.82 -0.627 . . . . 62.11 112.553 -171.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.2 p -147.84 151.01 35.23 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 116.026 -0.534 . . . . 73.32 110.049 171.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.609 ' O ' HG23 ' A' ' 14' ' ' VAL . 65.8 m-85 -63.42 -27.91 69.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.36 -0.382 . . . . 54.32 110.011 175.323 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -65.02 -41.22 95.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.943 -0.571 . . . . 75.21 110.062 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -78.39 -35.26 47.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.445 -0.798 . . . . 74.33 110.07 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -62.64 -38.92 92.17 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.304 -0.862 . . . . 55.42 110.851 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.67 HG11 ' HB ' ' A' ' 81' ' ' THR . 32.7 t -54.55 -40.34 49.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.19 -0.459 . . . . 73.14 111.527 178.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.28 -35.64 74.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.444 -0.344 . . . . 62.44 111.294 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.0 t -71.41 -40.65 70.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.391 -0.368 . . . . 72.34 110.483 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -72.86 -39.86 66.13 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.839 -0.43 . . . . 73.4 109.839 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.439 ' HA ' ' CZ ' ' A' ' 21' ' ' TYR . 44.8 tpp -53.29 -49.48 66.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.544 -0.753 . . . . 72.01 110.151 175.271 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.423 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 86.0 tttt -51.0 -36.01 36.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.127 -0.942 . . . . 74.21 111.75 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.7 m -54.06 -52.92 59.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.879 -0.601 . . . . 63.01 111.804 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.439 ' CZ ' ' HA ' ' A' ' 18' ' ' MET . 20.5 p90 -93.9 -8.79 39.23 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.891 -0.324 . . . . 75.43 111.6 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.423 ' HB2' ' HA ' ' A' ' 19' ' ' LYS . 71.0 m -70.67 -8.55 52.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.028 0.442 . . . . 65.34 110.594 173.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.476 ' O ' ' HD3' ' A' ' 23' ' ' ARG . 4.1 tmt_? -55.49 -28.65 55.84 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.776 -0.647 . . . . 73.11 110.555 176.193 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -81.22 -13.14 58.84 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.015 0.436 . . . . 71.3 110.933 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.0 mp -93.03 153.74 18.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.91 -0.586 . . . . 71.32 110.178 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.89 155.48 40.76 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 115.649 -0.705 . . . . 73.43 109.49 174.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.7 mt -59.44 -35.12 56.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.093 0.473 . . . . 74.35 109.858 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.29 -36.56 83.76 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.541 -0.754 . . . . 74.2 112.89 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.9 m -79.12 -46.15 18.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.075 0.438 . . . . 64.53 110.472 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -58.15 -43.85 87.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.665 -0.698 . . . . 75.32 112.432 -177.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -61.26 -20.28 62.67 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.338 0.495 . . . . 72.42 112.338 -176.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -54.69 -50.86 67.25 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 111.91 0.337 . . . . 74.3 111.91 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.608 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 76.9 t60 -110.31 -0.88 17.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.029 0.442 . . . . 75.05 110.721 -174.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -66.98 -51.88 49.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.197 0.522 . . . . 72.11 111.36 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.38 15.79 6.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.856 -0.611 . . . . 75.24 112.615 -172.316 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.608 ' SG ' ' HA ' ' A' ' 33' ' ' HIS . 68.7 m -77.98 -66.92 0.78 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.803 0.335 . . . . 75.02 111.257 -178.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.423 ' HG3' ' HG3' ' A' ' 42' ' ' GLU . 4.6 mpp? -65.63 -30.44 71.16 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.148 -0.478 . . . . 74.01 111.647 -174.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.08 -36.56 77.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.159 -0.473 . . . . 71.21 112.016 -178.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -75.13 -48.06 25.57 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 120.968 0.413 . . . . 74.54 110.783 -177.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -72.33 -21.06 61.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.822 -0.626 . . . . 74.44 111.027 -176.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 58.4 mttp 67.42 72.36 0.34 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.296 -0.866 . . . . 75.43 110.176 -174.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.423 ' HG3' ' HG3' ' A' ' 37' ' ' MET . 6.1 mm-40 -71.5 122.28 20.16 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.551 -0.75 . . . . 72.24 110.273 177.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.703 ' HE1' ' HE3' ' A' ' 8' ' ' LYS . 63.4 m-85 -125.36 135.98 52.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.069 0.462 . . . . 74.24 110.748 178.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.2 m -141.65 92.83 2.5 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.711 -0.677 . . . . 74.44 109.307 178.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.15 46.61 1.33 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.674 0.75 . . . . 71.34 109.596 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 176.66 -127.2 1.19 Allowed Glycine 0 N--CA 1.439 -1.164 0 CA-C-N 115.089 -0.959 . . . . 75.03 110.848 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.515 HD22 ' HB3' ' A' ' 51' ' ' GLU . 3.0 tm? 66.54 119.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.939 0.876 . . . . 73.42 110.078 -176.237 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.481 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 12.9 mm100 -111.39 167.75 10.06 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.504 -0.771 . . . . 62.55 110.003 -174.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -62.94 -38.51 91.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.592 -0.276 . . . . 44.45 111.005 -177.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -92.42 6.81 45.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.064 0.459 . . . . 74.53 110.56 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.515 ' HB3' HD22 ' A' ' 47' ' ' LEU . 11.3 tt0 -94.16 -28.24 15.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.012 0.434 . . . . 75.21 110.359 178.072 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.665 ' HG ' HG21 ' A' ' 86' ' ' VAL . 1.0 OUTLIER -78.97 84.28 5.01 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.973 -0.751 . . . . 75.01 108.973 177.272 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.525 ' O ' HD23 ' A' ' 57' ' ' LEU . 25.6 p -128.93 -175.76 3.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.697 -0.683 . . . . 52.02 111.221 -175.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -57.64 -40.83 80.16 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.236 -0.438 . . . . 71.41 110.455 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.35 -44.77 95.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.794 -0.639 . . . . 72.13 111.084 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -64.16 -45.91 86.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 75.35 110.355 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 53' ' ' THR . 4.3 mm? -60.15 -45.86 91.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 71.12 110.828 178.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -60.9 -48.27 82.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 70.21 111.198 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -67.1 -43.72 81.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.238 -0.437 . . . . 65.31 111.222 -177.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -69.88 -33.54 72.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 75.22 110.506 -177.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.6 tp -59.24 -49.27 78.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.914 -0.584 . . . . 62.43 110.444 175.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.2 mt -59.83 -44.66 94.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.707 -0.679 . . . . 64.12 110.603 177.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -60.48 -37.14 80.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.229 0.537 . . . . 74.51 110.524 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.499 ' O ' ' HB2' ' A' ' 68' ' ' LEU . 6.8 tpp -65.69 -40.21 92.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.617 -0.72 . . . . 73.24 110.859 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 69' ' ' CYS . 8.6 tmtt? -82.13 -36.26 27.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.848 -0.615 . . . . 74.11 110.939 -176.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -81.79 -64.24 1.22 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.384 -0.371 . . . . 63.22 111.532 -177.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.5 m -77.63 -48.83 15.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.256 -0.429 . . . . 72.02 111.354 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.499 ' HB2' ' O ' ' A' ' 64' ' ' MET . 77.8 mt -78.1 -20.5 52.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.346 -0.388 . . . . 71.31 110.415 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 60.2 m 61.56 31.68 18.8 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.636 -0.711 . . . . 74.31 112.032 174.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -93.99 154.08 17.85 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.817 -0.438 . . . . 50.13 109.817 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.69 154.0 38.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.319 -0.401 . . . . 53.41 110.303 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.461 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 6.4 p-10 -59.85 -28.81 67.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.461 -0.336 . . . . 53.45 111.655 -177.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.0 m -61.11 -35.51 77.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.794 0.331 . . . . 61.25 110.797 176.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.2 m -85.04 -43.18 14.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 44.34 110.246 177.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.461 ' HB3' ' HA ' ' A' ' 72' ' ' ASP . . . -55.22 -45.04 75.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.654 -0.703 . . . . 43.3 111.606 -178.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.452 ' HA ' ' OE1' ' A' ' 76' ' ' GLN . 12.7 mm-40 -65.05 -33.16 75.37 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 116.224 -0.444 . . . . 73.31 111.472 -178.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -72.52 -38.56 68.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.605 0.24 . . . . 73.22 110.883 176.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -60.15 -40.06 88.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.35 0.595 . . . . 72.23 110.226 176.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 92.9 mt -75.07 -37.22 61.69 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.522 -0.763 . . . . 72.04 110.771 177.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.417 ' O ' HG13 ' A' ' 84' ' ' ILE . 33.4 t -63.14 -35.48 80.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.504 . . . . 40.55 111.492 -178.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.67 ' HB ' HG11 ' A' ' 14' ' ' VAL . 11.3 p -66.08 -32.34 73.75 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.474 -0.49 . . . . 73.21 110.766 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.8 mt -70.75 -40.09 76.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.032 -0.729 . . . . 75.21 109.032 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.485 ' HE2' ' OD2' ' A' ' 98' ' ' ASP . 11.9 tmtt? -56.4 -38.62 71.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.525 -1.216 . . . . 73.45 110.826 178.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 80' ' ' SER . 82.3 mt -59.72 -42.6 89.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.682 0.277 . . . . 65.24 110.971 178.306 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.431 ' HB2' HG22 ' A' ' 14' ' ' VAL . 91.1 t80 -68.81 -46.55 68.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.012 0.434 . . . . 72.14 110.526 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.665 HG21 ' HG ' ' A' ' 52' ' ' LEU . 84.0 t -61.91 -46.08 97.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.79 -0.641 . . . . 53.21 110.974 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 m -63.29 -37.02 85.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.793 -0.64 . . . . 70.33 111.485 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.89 -35.83 80.9 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.275 0.559 . . . . 63.24 110.144 175.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.01 -22.01 66.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.488 -0.778 . . . . 54.33 111.287 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.735 HG12 ' HB3' ' A' ' 95' ' ' MET . 62.0 mt -76.89 -32.82 20.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.903 0.382 . . . . 74.02 110.576 177.109 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -67.44 -44.05 79.66 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.156 -0.475 . . . . 54.14 111.473 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -160.97 57.43 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.085 -0.507 . . . . 71.23 110.04 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -142.68 -99.4 0.32 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 119.962 -1.113 . . . . 75.34 113.541 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.63 -26.06 0.69 Allowed 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 120.619 0.247 . . . . 61.13 111.594 -170.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.735 ' HB3' HG12 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -84.75 172.25 11.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.367 -0.378 . . . . 51.23 110.297 -176.433 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.499 ' HA ' HG23 ' A' ' 90' ' ' ILE . 30.4 tt0 -152.0 -43.11 0.11 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.023 0.439 . . . . 71.44 110.966 -175.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -108.37 115.04 29.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.893 -0.594 . . . . 61.43 110.793 -173.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.485 ' OD2' ' HE2' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -61.23 140.93 94.33 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 120.782 0.325 . . . . 64.33 111.13 177.614 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -75.14 -31.82 5.72 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.432 2.088 . . . . 54.13 112.108 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.803 ' HA ' ' HB3' ' A' ' 103' ' ' PHE . 21.1 m-85 -71.98 -10.84 60.34 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.237 -0.438 . . . . 64.55 111.504 -177.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.19 -35.75 76.59 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 109.497 -0.557 . . . . 71.5 109.497 176.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -96.75 -25.18 15.61 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.155 -0.475 . . . . 71.13 110.559 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.803 ' HB3' ' HA ' ' A' ' 100' ' ' PHE . 67.5 t80 . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 115.384 -0.825 . . . . 74.25 110.767 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.591 ' HB2' ' HB3' ' A' ' 12' ' ' ASP . 3.5 p90 . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 121.292 0.568 . . . . 74.42 110.943 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -102.03 -13.31 17.59 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.33 -0.85 . . . . 74.21 109.758 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.456 ' HB2' ' HB2' ' A' ' 12' ' ' ASP . 50.3 m -72.83 140.4 47.6 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.476 -1.238 . . . . 43.15 111.499 -174.054 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -52.91 -57.16 11.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.303 -0.862 . . . . 75.44 110.427 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.579 ' CE1' ' HB2' ' A' ' 42' ' ' GLU . 15.7 p-80 -59.9 -25.36 65.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.529 -0.76 . . . . 61.23 111.891 -178.192 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.591 ' HB3' ' HB2' ' A' ' 7' ' ' PHE . 4.0 m-20 -81.03 -50.21 9.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.385 -0.371 . . . . 71.41 111.144 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -62.46 -43.27 99.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 63.01 110.46 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.758 HG11 ' HB ' ' A' ' 81' ' ' THR . 88.9 t -65.74 -39.37 84.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 62.24 110.957 -178.203 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.63 84.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.36 . . . . 40.45 111.19 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.4 t -74.94 -43.21 55.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.048 -0.524 . . . . 60.44 110.511 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -69.04 -37.97 78.88 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.394 -0.366 . . . . 73.23 111.261 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 40.8 tpp -61.74 -30.19 70.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.431 . . . . 74.45 110.51 -178.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -57.24 -38.48 73.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.923 -0.58 . . . . 64.41 110.817 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.9 m -82.62 -30.82 29.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.967 -0.561 . . . . 62.0 110.468 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -65.48 -17.33 64.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.836 -0.62 . . . . 71.54 110.392 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.524 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 42.3 t -61.55 -12.4 15.25 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.938 -0.574 . . . . 73.1 111.856 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -64.63 -17.3 63.9 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.851 0.358 . . . . 64.44 110.924 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 24' ' ' ARG . 9.3 ptm180 -131.46 19.49 4.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.247 -0.433 . . . . 74.45 110.416 175.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.62 ' HG ' HG23 ' A' ' 29' ' ' THR . 15.2 tp -137.24 121.7 18.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.088 -0.506 . . . . 72.43 110.159 -177.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -63.76 156.99 25.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.929 0.395 . . . . 71.35 111.053 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.5 mm -62.86 -37.73 79.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.702 -0.681 . . . . 73.3 110.908 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -55.52 -50.2 61.34 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 121.013 -0.613 . . . . 72.45 112.596 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.62 HG23 ' HG ' ' A' ' 25' ' ' LEU . 1.8 t -77.71 -41.49 37.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.819 -0.224 . . . . 74.21 110.872 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -49.98 -52.72 31.55 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 122.479 0.312 . . . . 71.32 111.054 176.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -69.78 -32.51 71.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.926 -0.579 . . . . 64.31 111.605 -177.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 16.1 t-80 -71.43 -4.88 28.89 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 120.918 0.389 . . . . 70.52 111.416 -174.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -143.77 30.88 1.31 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.317 0.58 . . . . 72.21 109.719 171.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -95.71 -73.09 0.6 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.395 -0.821 . . . . 45.54 110.543 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.484 ' O ' ' HB2' ' A' ' 39' ' ' LYS . 17.3 m -74.66 -15.99 60.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.396 -0.82 . . . . 65.34 111.605 -174.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 69.0 m -45.87 -56.16 5.76 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.337 0.398 . . . . 54.21 112.007 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.475 ' HB3' ' HB2' ' A' ' 11' ' ' HIS . 66.9 mtm -55.18 -52.88 61.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.327 -0.851 . . . . 73.13 111.982 -176.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -77.65 -40.54 41.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.597 0.592 . . . . 72.32 112.597 -174.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -65.42 -59.26 4.2 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 112.161 0.43 . . . . 73.14 112.161 -171.322 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -65.14 -48.89 71.97 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.886 -0.326 . . . . 65.14 110.93 -175.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.568 ' HG2' ' HB2' ' A' ' 43' ' ' TYR . 41.1 ttmt 179.58 102.45 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.747 -0.661 . . . . 70.54 109.604 -175.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.579 ' HB2' ' CE1' ' A' ' 11' ' ' HIS . 4.2 pt-20 -59.94 -53.96 51.68 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.826 -0.624 . . . . 74.32 111.443 -179.088 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.568 ' HB2' ' HG2' ' A' ' 41' ' ' LYS . 10.1 t80 59.58 -161.83 0.26 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.83 0.347 . . . . 60.42 111.429 168.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 55.9 m 77.17 -73.98 0.08 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.029 0.931 . . . . 61.41 112.046 177.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 64.55 -75.32 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.55 0.531 . . . . 74.45 111.258 -175.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -142.61 49.22 0.74 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.988 -0.625 . . . . 53.42 112.4 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.64 129.33 39.37 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.443 -0.577 . . . . 72.1 109.443 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -95.95 173.47 7.42 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.3 0.571 . . . . 75.44 111.795 -173.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -58.97 -30.26 67.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.249 -0.887 . . . . 74.31 111.427 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -64.78 -29.29 70.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.38 -0.827 . . . . 70.3 111.05 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -87.08 -22.66 25.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.961 0.41 . . . . 73.02 110.83 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -83.81 90.56 7.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.1 -0.5 . . . . 71.22 110.212 -177.134 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.7 p -129.13 -179.88 5.38 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.067 -0.515 . . . . 72.13 111.225 -177.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -61.22 -42.05 97.92 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.978 -0.749 . . . . 73.42 108.978 171.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.99 -41.9 93.04 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.149 -0.932 . . . . 73.3 111.054 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.486 ' HD2' HD22 ' A' ' 57' ' ' LEU . 70.9 t80 -57.92 -51.62 68.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.97 0.414 . . . . 74.21 110.375 178.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.486 HD22 ' HD2' ' A' ' 56' ' ' PHE . 4.5 mm? -62.45 -40.59 97.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.654 -0.703 . . . . 73.23 111.142 179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -43.97 81.48 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.636 -0.711 . . . . 74.15 111.318 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -71.9 -36.71 70.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.231 -0.44 . . . . 75.53 110.971 -177.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -61.64 -38.62 88.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.045 0.45 . . . . 70.25 110.04 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.714 HD11 ' HA ' ' A' ' 72' ' ' ASP . 30.6 tp -65.59 -47.24 76.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.785 -0.643 . . . . 63.34 110.763 176.156 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 78.0 mt -57.23 -45.76 84.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.88 -0.6 . . . . 74.11 110.6 176.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -61.88 -39.21 91.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.281 0.562 . . . . 73.44 110.139 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.623 ' HG2' ' HB2' ' A' ' 75' ' ' ALA . 24.8 tpp -58.99 -43.83 91.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.37 -0.832 . . . . 71.21 110.728 176.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -75.87 -40.86 53.78 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.955 -1.021 . . . . 64.2 111.363 -175.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -81.11 -63.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.147 0.498 . . . . 75.03 111.859 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.5 m -78.98 -33.66 44.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.885 -0.598 . . . . 71.03 112.173 -170.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 64' ' ' MET . 88.5 mt -93.38 -89.08 0.21 Allowed 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.212 -0.595 . . . . 65.21 111.934 -175.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 68' ' ' LEU . 14.9 m 179.07 -42.21 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.768 0.318 . . . . 73.13 111.292 -170.528 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.544 ' HB3' ' HB ' ' A' ' 74' ' ' THR . 38.0 m-80 -69.85 152.43 44.55 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.002 -0.544 . . . . 72.13 112.092 -168.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -98.06 -170.69 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.511 -0.768 . . . . 53.34 111.302 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.714 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -52.49 -67.55 0.24 Allowed 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.06 0.763 . . . . 43.44 113.06 -176.078 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.543 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 24.2 t -57.71 -40.45 79.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.634 0.254 . . . . 75.41 111.14 -177.029 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.544 ' HB ' ' HB3' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -58.91 -42.96 90.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.147 0.499 . . . . 62.45 110.768 179.62 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.623 ' HB2' ' HG2' ' A' ' 64' ' ' MET . . . -71.29 -36.96 71.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.026 -0.534 . . . . 74.13 111.026 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -60.04 -38.01 81.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.634 -0.257 . . . . 72.34 110.937 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 73' ' ' SER . 33.0 mmt180 -59.55 -39.86 85.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.32 0.581 . . . . 71.1 110.509 175.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -78.17 -39.07 41.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.499 -0.773 . . . . 74.2 111.618 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 79' ' ' LEU . 36.2 mt -63.55 -22.85 67.12 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 111.845 0.313 . . . . 72.32 111.845 -177.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.478 ' O ' HG12 ' A' ' 84' ' ' ILE . 49.7 m -52.67 -28.17 20.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.299 -0.41 . . . . 65.22 111.774 174.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.758 ' HB ' HG11 ' A' ' 14' ' ' VAL . 51.9 p -63.44 -54.74 31.83 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.988 0.423 . . . . 61.05 111.038 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 55.0 mt -59.92 -38.65 77.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.791 -0.64 . . . . 73.51 110.555 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -55.29 -41.28 72.08 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 115.671 -0.695 . . . . 74.0 111.177 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 80' ' ' SER . 47.0 mm -59.87 -47.11 92.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.594 0.235 . . . . 73.35 111.215 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -70.13 -48.53 57.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.971 0.415 . . . . 75.0 110.692 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 90' ' ' ILE . 71.7 t -61.0 -41.67 90.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.85 -0.614 . . . . 61.21 110.306 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.3 m -57.08 -42.22 80.29 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.913 -0.585 . . . . 43.44 111.695 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.94 93.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.208 0.528 . . . . 62.14 110.7 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.416 ' HB1' ' HB3' ' A' ' 94' ' ' TYR . . . -70.84 -35.32 72.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.61 -0.723 . . . . 72.52 111.134 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 86' ' ' VAL . 78.0 mt -68.52 -40.01 81.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.863 0.363 . . . . 63.14 110.397 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -61.53 -38.29 86.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.95 -0.568 . . . . 71.22 110.885 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -77.99 -41.35 36.25 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.808 -0.357 . . . . 74.31 110.447 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 121.16 17.12 4.14 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.357 -0.925 . . . . 32.4 113.175 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.416 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 40.6 t80 -79.07 -39.82 32.85 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.959 -0.756 . . . . 72.41 108.959 175.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 75.5 mmm -98.82 116.5 31.2 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.382 -0.826 . . . . 64.34 108.802 171.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -82.58 -31.17 29.13 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.11 0.481 . . . . 72.33 111.524 -171.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -127.55 135.53 50.46 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.959 -0.564 . . . . 73.24 111.073 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.411 ' OD1' ' HD2' ' A' ' 99' ' ' PRO . 0.4 OUTLIER -67.07 141.47 96.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 61.31 110.28 172.277 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.411 ' HD2' ' OD1' ' A' ' 98' ' ' ASP . 58.4 Cg_endo -74.29 -29.04 9.97 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.209 1.94 . . . . 74.54 111.518 175.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.776 ' HA ' ' HD1' ' A' ' 103' ' ' PHE . 93.4 m-85 -86.1 -8.79 57.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.699 -0.682 . . . . 71.04 111.104 -178.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.458 ' HE3' ' HB3' ' A' ' 101' ' ' LYS . 0.9 OUTLIER -65.58 -30.12 70.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.899 -0.592 . . . . 63.34 110.974 -177.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -99.46 10.11 41.99 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.113 0.412 . . . . 74.54 112.113 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.776 ' HD1' ' HA ' ' A' ' 100' ' ' PHE . 30.8 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.373 0.606 . . . . 63.01 109.774 172.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.492 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . 72.2 m-85 . . . . . 0 N--CA 1.447 -0.608 0 CA-C-O 121.734 0.778 . . . . 70.4 111.622 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.792 ' HD3' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -91.06 -22.26 20.83 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.649 -1.16 . . . . 64.44 112.2 -170.619 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.733 ' HB2' ' HB2' ' A' ' 12' ' ' ASP . 20.1 m -123.86 163.52 21.08 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.268 -0.424 . . . . 54.04 111.751 -174.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.496 ' O ' HG23 ' A' ' 14' ' ' VAL . 18.0 m-85 -68.37 -54.85 14.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.677 -0.692 . . . . 72.51 109.84 -176.515 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.506 ' HB3' ' CD ' ' A' ' 42' ' ' GLU . 68.3 t60 -71.8 -22.22 61.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.399 -0.818 . . . . 75.41 109.834 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.733 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 38.8 t70 -65.18 -46.59 80.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.574 -0.739 . . . . 71.31 109.583 176.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.549 ' HD1' ' HB2' ' A' ' 85' ' ' TYR . 25.8 t80 -66.01 -44.35 85.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.599 -0.728 . . . . 73.42 109.697 175.084 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.602 HG22 ' HB3' ' A' ' 85' ' ' TYR . 58.0 t -56.39 -48.78 79.39 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-N 115.57 -0.741 . . . . 62.53 111.561 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.84 -47.41 84.95 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.736 0.273 . . . . 54.21 111.736 -174.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.8 t -64.27 -41.88 96.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.432 -0.349 . . . . 55.22 110.995 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -71.76 -44.29 64.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.22 -0.445 . . . . 63.01 110.398 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.843 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 31.9 ttm -68.06 -28.29 67.25 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.855 -0.611 . . . . 73.52 110.952 -177.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -52.3 -42.66 63.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 64.42 110.211 175.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.7 m -85.81 -40.56 15.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.387 0.613 . . . . 75.32 110.459 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.843 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 73.5 t80 -63.42 -16.53 60.82 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.227 -0.897 . . . . 65.22 111.912 -177.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.2 p -62.75 -18.38 62.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.525 -0.307 . . . . 62.02 111.394 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -69.61 -10.84 59.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.099 0.476 . . . . 74.31 111.319 177.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -109.52 2.61 20.55 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.153 -0.476 . . . . 75.51 110.02 176.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.46 ' HG ' HG23 ' A' ' 29' ' ' THR . 1.8 mp -120.27 132.82 55.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.719 -0.673 . . . . 74.53 111.701 -175.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -76.83 160.8 28.96 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.13 -0.693 . . . . 73.55 109.13 169.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.9 mm -64.71 -35.89 76.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.729 -0.214 . . . . 74.01 110.596 -177.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.512 ' HA2' ' NE ' ' A' ' 31' ' ' ARG . . . -55.91 -46.62 83.38 Favored Glycine 0 C--N 1.333 0.403 0 CA-C-N 116.125 -0.489 . . . . 74.44 113.042 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.46 HG23 ' HG ' ' A' ' 25' ' ' LEU . 8.9 t -79.5 -33.65 41.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.672 0.273 . . . . 73.14 111.062 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -59.68 -52.42 65.57 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.425 -0.352 . . . . 62.22 111.151 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.512 ' NE ' ' HA2' ' A' ' 28' ' ' GLY . 37.8 ptt180 -65.1 -24.45 67.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.002 -0.545 . . . . 75.33 111.22 -177.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -64.57 -15.99 61.92 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.995 -0.548 . . . . 73.15 111.498 -173.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -142.0 34.14 1.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.156 0.503 . . . . 73.54 110.732 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -95.62 -53.37 3.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.735 -0.666 . . . . 75.11 111.713 -177.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.1 m -70.3 -33.84 72.03 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.865 0.691 . . . . 71.35 112.865 -171.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 35.3 m -51.43 -69.68 0.11 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.406 0.891 . . . . 51.12 113.406 -169.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 65.7 mtm -67.11 -25.77 66.37 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.741 0.305 . . . . 65.33 111.468 -175.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -61.11 -52.0 66.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.278 0.561 . . . . 75.44 110.491 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.495 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -66.42 -38.26 87.06 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 114.998 -1.001 . . . . 74.33 110.579 -177.348 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.43 ' O ' ' HB3' ' A' ' 41' ' ' LYS . 87.8 t80 -55.21 -32.38 62.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.349 -0.842 . . . . 75.04 112.255 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 40' ' ' PHE . 56.6 tptt 69.52 103.71 0.06 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.352 0.596 . . . . 73.54 110.674 -176.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.548 ' HB3' ' HB3' ' A' ' 9' ' ' SER . 32.2 mm-40 -60.44 -80.25 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.045 -0.98 . . . . 70.02 112.327 -177.541 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.1 t80 53.31 40.33 31.15 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.266 -0.879 . . . . 71.02 111.012 -174.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.627 ' HB2' ' HA ' ' A' ' 9' ' ' SER . 58.2 m -89.09 148.05 23.91 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.034 -0.728 . . . . 64.24 109.034 174.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -110.56 30.55 6.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.059 0.457 . . . . 70.54 111.389 -170.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 129.57 136.29 4.05 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.512 -0.851 . . . . 64.13 112.471 177.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.613 HD21 ' HB2' ' A' ' 52' ' ' LEU . 3.0 tm? -121.33 126.35 49.25 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.167 0.508 . . . . 73.12 110.006 178.178 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -114.35 -177.83 3.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.659 -0.7 . . . . 70.42 110.319 -178.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.509 ' HE1' ' H ' ' A' ' 97' ' ' ASN . 44.8 t80 -67.56 -57.37 6.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.21 -0.45 . . . . 63.12 110.229 178.305 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -87.71 68.18 9.39 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.694 0.759 . . . . 63.31 109.856 178.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -152.01 -49.3 0.11 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.54 -1.209 . . . . 74.34 108.209 174.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.613 ' HB2' HD21 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -85.69 82.29 8.28 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 107.902 -1.147 . . . . 52.31 107.902 170.366 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.488 ' O ' HD23 ' A' ' 57' ' ' LEU . 41.2 p -122.58 -176.82 3.47 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.808 -0.633 . . . . 74.22 111.365 -173.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.559 ' CD ' ' H ' ' A' ' 54' ' ' GLU . 1.4 mp0 -53.13 -39.09 63.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.718 -0.674 . . . . 73.22 110.188 177.087 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -67.37 -38.52 84.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.125 -0.943 . . . . 74.13 110.741 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -69.32 -40.07 77.85 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.905 -0.405 . . . . 73.23 109.905 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.541 HD13 HD22 ' A' ' 79' ' ' LEU . 3.8 mm? -57.48 -50.81 71.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.007 -0.542 . . . . 74.12 110.975 177.31 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.511 ' O ' HG12 ' A' ' 62' ' ' ILE . 28.8 ptt180 -68.93 -37.11 78.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.451 -0.34 . . . . 63.4 110.802 -178.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -65.4 -44.25 88.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.842 0.353 . . . . 72.34 110.708 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -66.58 -37.82 85.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 71.03 109.772 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.3 tp -59.54 -53.92 52.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.626 -0.715 . . . . 61.44 110.149 174.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.511 HG12 ' O ' ' A' ' 58' ' ' ARG . 40.3 mm -56.7 -48.37 80.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.009 -0.542 . . . . 73.33 111.14 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.411 ' O ' ' HB ' ' A' ' 67' ' ' THR . 70.8 t80 -60.33 -45.55 93.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.134 0.492 . . . . 72.11 110.973 -178.244 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.481 ' CE ' ' HA ' ' A' ' 75' ' ' ALA . 12.5 ttp -71.47 -42.97 67.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.881 -0.599 . . . . 74.23 111.69 -177.158 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -72.26 -49.0 38.31 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.082 -0.508 . . . . 52.43 110.866 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -84.57 -62.96 1.42 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.783 -0.189 . . . . 73.34 110.971 -174.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 63' ' ' TYR . 78.4 m -68.23 -49.82 58.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.751 0.31 . . . . 75.34 111.631 -174.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 64' ' ' MET . 93.6 mt -78.68 -8.02 58.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.707 0.289 . . . . 72.44 110.484 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 60.2 m 63.2 27.78 15.68 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.611 -0.722 . . . . 73.04 112.392 173.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -88.74 169.91 11.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.822 0.344 . . . . 75.3 110.942 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.32 168.34 11.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.933 -0.576 . . . . 75.12 110.121 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -69.62 -28.46 65.94 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.194 -0.202 . . . . 72.43 111.359 -177.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.4 m -57.04 -44.26 82.78 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.942 0.401 . . . . 71.13 110.532 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.0 m -69.46 -44.0 72.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.0 -0.545 . . . . 72.02 110.043 178.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.481 ' HA ' ' CE ' ' A' ' 64' ' ' MET . . . -60.71 -45.81 92.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.541 -0.754 . . . . 61.1 111.382 -179.087 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -62.88 -36.21 82.56 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.32 -0.4 . . . . 74.51 111.241 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.14 -46.03 75.32 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.032 0.444 . . . . 65.12 110.452 178.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.404 ' HB2' ' HE1' ' A' ' 64' ' ' MET . 6.9 m-20 -63.5 -44.03 95.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.881 -0.6 . . . . 71.43 110.826 178.541 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.541 HD22 HD13 ' A' ' 57' ' ' LEU . 72.7 mt -64.2 -33.91 76.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.227 -0.442 . . . . 61.23 110.696 178.178 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.459 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 23.0 t -70.82 -24.47 62.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.666 0.269 . . . . 73.44 110.587 178.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.4 m -74.56 -41.58 60.28 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.466 -0.568 . . . . 63.43 109.466 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.702 HG23 ' HE2' ' A' ' 85' ' ' TYR . 85.9 mt -62.6 -39.39 84.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.39 -0.823 . . . . 74.31 109.524 172.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.484 ' O ' ' HB2' ' A' ' 87' ' ' SER . 2.3 tmtt? -54.39 -32.23 56.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.374 -0.83 . . . . 75.34 111.061 178.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 80' ' ' SER . 76.7 mt -62.25 -52.44 60.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 111.384 0.142 . . . . 54.54 111.384 -178.156 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.702 ' HE2' HG23 ' A' ' 82' ' ' ILE . 1.1 p90 -72.97 -31.91 64.86 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.45 -0.5 . . . . 74.21 110.167 -177.382 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 90' ' ' ILE . 76.1 t -65.02 -50.76 73.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 62.45 110.096 176.339 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.484 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 0.5 OUTLIER -58.54 -37.78 76.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.992 -0.549 . . . . 74.52 111.239 178.818 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.91 -42.74 80.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.033 0.444 . . . . 55.43 110.496 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.651 ' HA ' ' HA3' ' A' ' 93' ' ' GLY . . . -68.46 -27.17 65.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.785 -0.643 . . . . 71.54 111.53 -179.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 86' ' ' VAL . 93.4 mt -79.01 -31.74 14.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.096 0.474 . . . . 64.14 110.308 177.257 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.3 tttt -76.4 -43.27 41.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.836 -0.62 . . . . 74.51 109.628 -176.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 92' ' ' LYS . 38.1 tptt -170.19 75.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.8 -0.636 . . . . 75.14 110.388 170.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.651 ' HA3' ' HA ' ' A' ' 89' ' ' ALA . . . -146.51 -63.88 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.284 -0.96 . . . . 74.52 113.324 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -161.49 -51.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 71.35 110.736 -173.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.486 ' HG2' ' HA ' ' A' ' 49' ' ' PHE . 90.1 mtp -76.0 163.97 26.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.975 -0.557 . . . . 74.13 110.967 -177.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -128.09 -36.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.104 -0.498 . . . . 63.04 111.471 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.509 ' H ' ' HE1' ' A' ' 49' ' ' PHE . 91.1 m-20 -114.68 141.39 47.87 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.175 -0.466 . . . . 73.21 110.04 -177.082 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.57 ' OD1' ' HD2' ' A' ' 99' ' ' PRO . 0.4 OUTLIER -77.99 141.38 63.17 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.883 -0.599 . . . . 75.24 110.422 179.297 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.57 ' HD2' ' OD1' ' A' ' 98' ' ' ASP . 29.9 Cg_endo -65.28 -53.66 0.78 Allowed 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.622 2.215 . . . . 64.21 112.866 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.601 ' HA ' ' HB3' ' A' ' 103' ' ' PHE . 13.4 p90 -66.53 -25.0 66.46 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.969 0.414 . . . . 65.44 111.26 -172.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.546 ' O ' ' HD2' ' A' ' 101' ' ' LYS . 0.4 OUTLIER -63.91 -39.93 95.32 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.856 -0.611 . . . . 62.02 109.558 178.624 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.83 15.16 29.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.542 0.687 . . . . 64.12 109.764 -177.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.601 ' HB3' ' HA ' ' A' ' 100' ' ' PHE . 6.5 t80 . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 115.175 -0.92 . . . . 75.24 110.364 -175.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.699 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 5.0 m-85 . . . . . 0 N--CA 1.441 -0.91 0 N-CA-C 109.765 -0.457 . . . . 65.51 109.765 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 8' ' ' LYS . 35.7 mtpt -96.48 -17.63 20.41 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.212 -0.449 . . . . 53.21 111.738 -177.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 t -146.77 170.78 16.28 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.751 -0.379 . . . . 65.22 111.378 -172.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.467 ' O ' HG23 ' A' ' 14' ' ' VAL . 43.4 p90 -61.35 -37.77 84.54 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.893 -0.594 . . . . 75.43 111.101 -176.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -63.27 -25.27 68.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.847 0.356 . . . . 75.14 110.906 -177.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.699 ' HB2' ' HB3' ' A' ' 7' ' ' PHE . 42.2 m-20 -80.53 -45.67 17.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.166 -0.47 . . . . 74.41 110.617 177.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -63.64 -48.37 77.52 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.665 -0.698 . . . . 72.54 110.93 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 10' ' ' PHE . 90.8 t -58.74 -41.28 82.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.972 -0.558 . . . . 72.41 110.665 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.05 -29.3 70.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.415 -0.357 . . . . 62.5 111.751 -176.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.2 t -82.66 -38.96 22.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.964 0.411 . . . . 52.03 110.746 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -76.72 -37.62 55.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.987 0.422 . . . . 70.32 110.811 -177.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 49.8 ttm -61.01 -28.97 69.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.736 -0.665 . . . . 72.23 111.486 -176.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -49.63 -35.98 22.95 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.061 0.458 . . . . 74.34 111.865 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.3 m -79.79 -39.57 30.58 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.179 -0.464 . . . . 73.22 110.966 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -69.3 -33.08 72.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 62.34 111.024 -177.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.6 p -66.85 -12.62 59.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.927 0.394 . . . . 62.34 111.323 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -76.78 -28.83 55.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.847 0.356 . . . . 71.33 110.471 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -107.88 13.04 26.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.461 0.648 . . . . 64.34 110.491 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.8 tp -115.31 135.73 53.84 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.99 -1.115 . . . . 52.4 107.99 173.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.429 ' CG ' HG22 ' A' ' 29' ' ' THR . 10.7 pt-20 -60.24 146.29 44.27 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 109.715 -0.476 . . . . 75.24 109.715 176.546 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.8 mm -68.96 -27.55 35.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 116.017 -0.538 . . . . 73.0 110.437 -175.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.01 -48.21 63.67 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.182 -0.533 . . . . 62.41 112.76 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.429 HG22 ' CG ' ' A' ' 26' ' ' GLU . 7.6 t -79.3 -47.96 14.96 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 121.031 -0.268 . . . . 74.32 110.99 -179.299 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -51.07 -45.89 61.57 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.322 0.49 . . . . 70.11 112.322 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -65.57 -21.71 66.62 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.986 0.365 . . . . 73.22 111.986 -174.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -69.49 -29.21 66.81 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.855 0.359 . . . . 61.15 111.27 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.502 ' HD2' HG21 ' A' ' 81' ' ' THR . 15.4 t60 -139.61 50.37 1.77 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.054 -0.721 . . . . 74.34 109.054 -174.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -89.32 -50.37 6.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.175 -0.92 . . . . 52.35 112.067 -170.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.5 m -103.57 2.81 33.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.901 0.381 . . . . 74.24 111.098 -174.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.1 m -62.07 -60.4 3.66 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.633 0.605 . . . . 74.25 112.633 -174.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -51.3 -38.68 54.2 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.731 0.641 . . . . 73.24 112.731 -171.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -66.98 -45.49 77.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.942 0.401 . . . . 74.33 111.271 -174.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -91.7 -30.96 16.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.86 -0.609 . . . . 74.12 112.191 -174.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -64.72 -24.64 67.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.232 0.539 . . . . 74.53 110.346 -178.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.434 ' HG2' ' CZ ' ' A' ' 10' ' ' PHE . 9.8 tptp -126.54 88.73 2.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.845 -0.616 . . . . 63.52 109.722 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.78 -4.73 52.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.775 -0.648 . . . . 61.41 110.657 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -125.07 -172.74 2.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.158 -0.474 . . . . 71.14 110.223 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 82.6 m 68.74 91.64 0.09 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.406 0.622 . . . . 73.24 111.324 -178.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -118.3 169.45 9.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.47 -0.786 . . . . 71.35 110.234 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.0 47.34 83.59 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.783 -0.722 . . . . 53.43 111.765 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.5 tt -93.93 112.15 23.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.9 0.381 . . . . 64.14 110.135 -176.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -96.47 176.14 6.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.879 -0.601 . . . . 60.34 110.184 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -58.02 -33.33 68.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.609 -0.723 . . . . 61.13 112.17 -176.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -67.05 -9.81 43.19 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.241 0.459 . . . . 74.12 112.241 -177.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -90.05 -23.51 21.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 73.43 110.856 177.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -99.35 90.86 4.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.295 0.569 . . . . 62.22 109.847 -177.102 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.435 ' O ' HD23 ' A' ' 57' ' ' LEU . 38.7 p -126.73 175.18 8.18 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.738 -0.665 . . . . 65.43 110.227 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.456 ' HB2' ' HB3' ' A' ' 102' ' ' ASP . 7.6 tm-20 -59.45 -35.46 74.09 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.394 -0.595 . . . . 71.41 109.394 173.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -57.48 -43.55 84.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.462 -0.79 . . . . 71.42 110.081 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -62.61 -47.56 83.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.635 -0.711 . . . . 75.52 110.782 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 53' ' ' THR . 4.4 mm? -59.75 -42.88 94.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.98 0.419 . . . . 53.34 110.579 178.211 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -61.68 -48.66 79.81 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.696 -0.684 . . . . 55.12 110.665 177.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -61.99 -41.39 98.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.718 -0.673 . . . . 74.34 111.199 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -65.74 -36.14 82.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.953 -0.567 . . . . 74.33 109.902 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 49.8 tp -62.14 -48.78 78.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.019 -0.537 . . . . 62.22 110.532 175.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 77.5 mt -60.25 -47.82 90.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.572 -0.74 . . . . 63.0 110.545 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -57.19 -39.76 76.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.936 -0.575 . . . . 72.35 110.529 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.46 ' HG2' ' HB2' ' A' ' 75' ' ' ALA . 7.5 tpp -65.0 -57.06 9.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.703 -0.681 . . . . 61.11 110.766 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -65.22 -38.14 89.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.847 -0.615 . . . . 63.54 110.812 -173.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -78.32 -63.36 1.42 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.813 -0.63 . . . . 65.41 111.286 -178.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 56.0 m -80.23 -46.01 17.01 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.603 0.594 . . . . 51.21 112.603 -173.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 73.8 mt -94.06 4.8 53.38 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.752 0.279 . . . . 73.15 111.752 -171.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 18.0 t 67.43 -164.77 0.21 Allowed 'General case' 0 CA--C 1.535 0.379 0 O-C-N 123.429 0.455 . . . . 65.4 110.198 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 73.27 -173.2 0.14 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.05 0.54 . . . . 71.14 110.625 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -126.78 -172.79 2.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.229 -0.441 . . . . 75.13 110.829 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -55.66 -38.43 69.58 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.947 -0.57 . . . . 74.55 111.856 -177.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.2 m -55.04 -44.71 74.93 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.773 0.32 . . . . 62.22 111.432 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.3 m -77.8 -28.17 50.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.225 0.536 . . . . 71.13 111.047 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.46 ' HB2' ' HG2' ' A' ' 64' ' ' MET . . . -71.97 -43.24 65.47 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.41 -0.359 . . . . 71.51 110.707 177.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -62.2 -44.48 96.49 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.008 -0.542 . . . . 61.31 111.48 -176.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -26.81 68.64 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.681 0.276 . . . . 74.34 111.011 -179.228 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -77.32 -49.69 14.44 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 121.036 0.446 . . . . 62.13 110.297 175.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 75' ' ' ALA . 96.3 mt -59.08 -31.18 68.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.378 -0.828 . . . . 61.52 111.465 -178.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.577 ' HA ' ' HB3' ' A' ' 83' ' ' LYS . 69.8 m -59.38 -28.78 67.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.087 -0.506 . . . . 72.42 112.227 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.502 HG21 ' HD2' ' A' ' 33' ' ' HIS . 74.7 p -66.83 -44.33 81.39 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.52 -0.472 . . . . 75.0 110.756 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.5 mt -71.17 -36.82 64.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 75.2 109.596 174.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.577 ' HB3' ' HA ' ' A' ' 80' ' ' SER . 76.5 tttt -53.56 -47.97 69.56 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.469 -0.787 . . . . 74.31 111.78 178.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.524 HG12 ' O ' ' A' ' 80' ' ' SER . 44.7 mm -55.52 -41.3 62.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.493 0.187 . . . . 74.24 111.19 -177.443 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -70.58 -48.14 56.75 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.696 -0.401 . . . . 63.34 110.093 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.656 ' O ' HG13 ' A' ' 90' ' ' ILE . 79.5 t -59.88 -54.97 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.974 -0.557 . . . . 74.21 110.769 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.816 ' HA ' HD12 ' A' ' 90' ' ' ILE . 2.3 m -55.41 -44.28 76.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.785 -0.643 . . . . 75.33 111.583 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.02 91.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.811 0.339 . . . . 63.22 110.607 177.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.06 -24.7 67.8 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.163 -0.471 . . . . 72.33 111.406 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.816 HD12 ' HA ' ' A' ' 87' ' ' SER . 76.1 mt -64.53 -53.05 47.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.361 178.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -77.33 -29.12 53.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.708 -0.678 . . . . 71.24 110.509 -178.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -66.18 -43.31 87.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.993 -0.549 . . . . 61.53 110.754 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 134.92 50.69 0.08 OUTLIER Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.128 -1.034 . . . . 40.31 113.915 175.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -140.78 -70.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 117.001 0.4 . . . . 73.2 110.675 172.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.479 ' HG3' HG13 ' A' ' 86' ' ' VAL . 81.7 mmm -65.29 140.15 58.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.01 0.433 . . . . 73.42 110.817 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -75.13 -48.41 23.86 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.748 -0.66 . . . . 70.45 111.076 -176.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -146.78 158.69 43.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.021 -0.536 . . . . 75.55 111.146 -173.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.05 142.1 87.23 Favored Pre-proline 0 N--CA 1.45 -0.474 0 CA-C-N 115.519 -0.764 . . . . 73.43 110.239 178.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.06 -36.07 2.73 Favored 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 122.458 2.105 . . . . 64.33 112.536 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.788 ' HA ' ' HD2' ' A' ' 103' ' ' PHE . 51.2 p90 -74.95 -17.85 60.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.563 0.697 . . . . 75.25 110.843 -178.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.422 ' HE3' ' HB3' ' A' ' 101' ' ' LYS . 0.6 OUTLIER -71.89 -25.22 61.84 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.228 -0.897 . . . . 74.44 110.404 179.202 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.456 ' HB3' ' HB2' ' A' ' 54' ' ' GLU . 33.4 t70 -95.22 7.24 46.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.97 -0.559 . . . . 70.44 111.381 -173.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.788 ' HD2' ' HA ' ' A' ' 100' ' ' PHE . 5.7 m-85 . . . . . 0 C--N 1.326 -0.425 0 N-CA-C 112.652 0.612 . . . . 44.04 112.652 -177.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.429 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 0.2 OUTLIER . . . . . 0 CA--C 1.511 -0.556 0 CA-C-O 121.787 0.803 . . . . 72.32 111.948 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.427 ' H ' ' HG2' ' A' ' 8' ' ' LYS . 18.8 pttm -95.49 -36.03 11.46 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 113.796 -1.547 . . . . 74.45 111.218 -176.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.46 ' CB ' ' HA3' ' A' ' 46' ' ' GLY . 49.5 m -126.24 169.29 13.02 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.376 0.51 . . . . 60.21 112.376 -168.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -56.28 -43.47 78.85 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 115.416 -0.811 . . . . 75.52 111.952 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.3 p80 -65.47 -25.54 67.54 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.775 -0.37 . . . . 64.12 111.243 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.429 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 22.5 m-20 -81.1 -46.19 15.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.09 0.472 . . . . 70.11 110.107 176.24 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.431 ' CD1' ' HD1' ' A' ' 85' ' ' TYR . 61.0 t80 -60.44 -52.59 64.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.558 -0.746 . . . . 64.22 110.992 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.7 t -61.02 -33.78 57.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.242 -0.435 . . . . 71.44 110.811 -177.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.97 95.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 72.13 110.821 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.0 t -79.46 -38.95 33.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.235 -0.438 . . . . 60.23 110.684 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -72.05 -38.11 69.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.426 -0.352 . . . . 53.31 110.792 -176.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 35.7 tpp -60.1 -38.81 84.05 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.754 -0.461 . . . . 75.22 109.754 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.542 ' HD3' ' O ' ' A' ' 19' ' ' LYS . 1.7 tmtp? -73.61 -22.66 59.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.645 -0.707 . . . . 74.32 110.109 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.9 m -63.39 -56.42 16.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.357 -0.383 . . . . 52.03 110.812 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -88.15 -3.27 58.9 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 120.808 -0.357 . . . . 75.42 111.365 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.841 ' HA ' ' HB2' ' A' ' 25' ' ' LEU . 43.2 t -56.03 -18.78 10.41 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.302 -0.408 . . . . 71.41 111.022 173.108 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -51.82 -35.88 45.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.984 -0.553 . . . . 73.41 111.047 175.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.3 mtt-85 -112.64 8.43 19.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.256 -0.429 . . . . 73.42 111.342 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.841 ' HB2' ' HA ' ' A' ' 22' ' ' SER . 3.8 mp -86.87 121.28 29.14 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.691 -0.485 . . . . 71.21 109.691 176.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -68.51 165.58 18.76 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.912 -0.585 . . . . 72.51 110.377 175.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.444 HG22 ' HD2' ' A' ' 31' ' ' ARG . 58.8 mt -61.03 -35.72 67.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.568 -0.742 . . . . 73.05 111.089 -175.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.52 -60.75 8.11 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-N 116.136 -0.484 . . . . 34.44 113.508 -177.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.7 t -66.99 -37.1 83.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.042 0.421 . . . . 72.1 111.387 -177.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -63.99 -45.91 86.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.58 -0.282 . . . . 54.44 111.543 -175.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.444 ' HD2' HG22 ' A' ' 27' ' ' ILE . 16.1 ptm180 -74.3 -20.28 60.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.709 0.29 . . . . 72.22 111.462 -176.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.83 -59.12 3.3 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.244 0.461 . . . . 71.01 112.244 -175.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -100.16 23.08 10.47 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.894 0.331 . . . . 53.41 111.894 -173.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -73.35 -48.37 34.81 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 121.014 0.435 . . . . 70.13 111.568 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 m -72.48 -22.56 61.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.021 -0.536 . . . . 51.04 111.888 -174.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.531 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 60.9 m -56.13 -60.34 3.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.83 0.347 . . . . 51.34 111.684 -175.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 54.0 ttp -72.03 -27.3 62.62 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.255 -0.43 . . . . 63.32 110.859 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 38' ' ' ARG . 8.7 mtt180 -72.05 -26.98 62.4 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.787 0.662 . . . . 72.2 112.787 -174.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 36' ' ' CYS . 59.1 pttt -72.38 -22.03 61.2 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.753 -0.779 . . . . 73.25 109.9 177.11 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -88.91 1.07 55.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.453 0.644 . . . . 74.31 110.095 177.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 24.6 ttpp -75.32 6.09 4.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.706 -0.679 . . . . 73.25 111.542 -175.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -100.11 9.13 43.31 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.466 0.651 . . . . 73.01 109.98 174.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -90.62 103.68 16.35 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.456 -0.942 . . . . 73.32 108.456 173.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.1 t -63.05 -37.41 87.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 75.21 111.155 -173.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -83.17 -157.09 0.21 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.154 0.502 . . . . 54.23 110.288 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.46 ' HA3' ' CB ' ' A' ' 9' ' ' SER . . . -169.96 -128.23 1.0 Allowed Glycine 0 N--CA 1.438 -1.229 0 C-N-CA 120.528 -0.844 . . . . 72.02 112.007 178.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.543 ' HG ' ' HB2' ' A' ' 51' ' ' GLU . 9.3 tt -169.67 127.76 0.93 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.035 -0.728 . . . . 60.2 109.035 -174.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -101.05 -177.57 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.621 -0.263 . . . . 73.33 111.029 -177.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -55.15 -37.35 66.87 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.299 -0.409 . . . . 74.22 112.006 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -72.92 -30.42 63.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.171 -0.468 . . . . 75.03 111.126 -177.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.543 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . 11.4 mp0 -86.49 -11.36 51.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.101 -0.499 . . . . 63.44 110.572 -176.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.449 ' CD1' ' HG3' ' A' ' 99' ' ' PRO . 0.8 OUTLIER -74.01 94.84 2.42 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.316 -0.624 . . . . 61.11 109.316 178.732 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.0 p -125.67 162.92 23.93 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.058 -0.519 . . . . 70.4 110.842 -177.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.47 -36.79 74.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 72.22 110.241 176.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -57.5 -42.92 83.68 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.145 -0.479 . . . . 64.22 111.248 -177.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.436 ' HD2' HD22 ' A' ' 57' ' ' LEU . 76.1 t80 -62.26 -51.6 67.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.828 0.347 . . . . 75.41 110.304 178.269 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.436 HD22 ' HD2' ' A' ' 56' ' ' PHE . 4.4 mm? -60.69 -45.06 95.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.783 -0.644 . . . . 71.22 110.974 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -65.01 -50.3 66.84 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.307 -0.86 . . . . 74.55 111.008 -177.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -64.21 -37.79 88.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.082 -0.508 . . . . 64.21 111.177 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.417 ' HD2' HD21 ' A' ' 79' ' ' LEU . 49.8 t80 -71.29 -37.23 71.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 73.43 110.368 -179.296 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.503 HD22 ' HZ ' ' A' ' 103' ' ' PHE . 49.1 tp -57.27 -53.4 58.5 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.163 -0.471 . . . . 74.14 110.14 175.106 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.9 mt -60.42 -48.69 87.35 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.459 0 CA-C-N 115.643 -0.708 . . . . 75.22 110.177 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -53.98 -41.7 68.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.101 0.477 . . . . 73.31 111.26 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.505 ' HE1' ' HB3' ' A' ' 78' ' ' ASN . 6.2 ttp -70.38 -40.89 73.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.922 -0.581 . . . . 75.22 111.723 -176.666 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.689 ' HA ' ' H ' ' A' ' 70' ' ' ASN . 21.9 ptmt -83.73 -24.69 31.06 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 111.825 0.306 . . . . 72.34 111.825 -178.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -93.88 -63.92 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.567 -0.288 . . . . 74.35 111.75 -175.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.3 m -79.24 -39.1 33.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.954 0.407 . . . . 71.42 111.042 -174.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 64' ' ' MET . 87.8 mt -88.74 -14.17 37.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.29 -0.414 . . . . 74.51 110.644 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 45.6 t 54.29 76.82 0.22 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.728 -0.669 . . . . 72.23 111.636 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.689 ' H ' ' HA ' ' A' ' 65' ' ' LYS . 4.1 m-20 -120.87 162.07 20.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.162 -0.472 . . . . 72.03 109.981 176.326 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.56 162.91 24.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.291 -0.413 . . . . 64.31 110.43 177.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.97 -47.3 85.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.263 -0.426 . . . . 62.13 110.877 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.4 m -66.85 -20.14 65.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.579 . . . . 63.55 111.514 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.9 m -83.54 -48.05 10.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.189 0.519 . . . . 72.0 110.238 178.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.46 -46.9 84.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.696 -0.684 . . . . 53.54 111.116 -178.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -59.88 -36.13 76.29 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.924 -0.58 . . . . 72.45 111.047 178.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -66.79 -41.4 87.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.113 0.482 . . . . 75.51 110.517 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.505 ' HB3' ' HE1' ' A' ' 64' ' ' MET . 8.3 t30 -70.03 -37.54 75.63 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.807 -0.633 . . . . 64.21 110.193 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.417 HD21 ' HD2' ' A' ' 60' ' ' TYR . 65.0 mt -65.18 -34.1 77.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.794 -0.639 . . . . 55.54 111.077 176.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.495 ' HA ' ' HB3' ' A' ' 83' ' ' LYS . 68.3 m -60.0 -21.74 61.69 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.373 -0.376 . . . . 75.01 111.831 177.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.2 m -73.09 -43.31 61.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 72.45 110.486 178.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.7 mt -70.9 -32.87 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.463 0.649 . . . . 65.5 109.279 174.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.495 ' HB3' ' HA ' ' A' ' 80' ' ' SER . 78.2 tttt -52.4 -38.85 60.0 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.031 -0.986 . . . . 75.21 111.933 175.101 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 50.1 mm -57.87 -37.9 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.363 . . . . 73.2 110.454 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.431 ' HD1' ' CD1' ' A' ' 13' ' ' PHE . 79.1 t80 -68.24 -50.45 53.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.319 0.58 . . . . 74.41 109.97 177.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 90' ' ' ILE . 48.2 t -58.75 -55.56 22.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 114.96 -1.018 . . . . 75.42 111.056 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 m -61.54 -35.36 77.53 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.047 -0.979 . . . . 53.23 112.128 -175.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.99 -36.38 75.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.962 0.411 . . . . 74.23 110.753 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.77 -25.62 61.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 74.44 111.17 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.59 HD13 ' HB3' ' A' ' 98' ' ' ASP . 66.6 mt -82.76 -33.08 10.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.06 0.457 . . . . 71.42 110.839 176.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -69.4 -45.29 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.822 -0.626 . . . . 64.2 110.133 -175.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -163.47 68.64 0.2 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.215 0.531 . . . . 60.03 109.736 172.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -136.29 -76.66 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.457 -0.878 . . . . 65.31 112.49 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -157.46 -40.82 0.07 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.743 0.306 . . . . 75.02 111.134 -175.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 83.5 mtp -73.16 137.47 45.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 73.23 111.267 -175.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -96.12 -47.27 6.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 74.35 110.638 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -107.55 157.82 17.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.123 -0.49 . . . . 61.43 109.952 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.59 ' HB3' HD13 ' A' ' 90' ' ' ILE . 3.5 p-10 -108.44 153.52 42.01 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 115.443 -0.799 . . . . 55.51 110.982 -175.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.449 ' HG3' ' CD1' ' A' ' 52' ' ' LEU . 73.9 Cg_endo -75.07 -20.07 17.08 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.644 2.229 . . . . 63.25 113.007 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.816 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 40.7 p90 -85.28 -5.68 59.3 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.431 0.634 . . . . 63.35 111.473 -176.317 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -61.57 -43.48 98.78 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.085 -0.962 . . . . 75.2 109.998 168.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.7 6.83 32.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.315 -0.857 . . . . 71.23 111.009 -178.236 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.816 ' HB2' ' HA ' ' A' ' 100' ' ' PHE . 66.7 t80 . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 121.621 0.724 . . . . 74.02 110.194 -177.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 120.812 0.339 . . . . 73.23 111.257 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.669 ' HD2' ' HG2' ' A' ' 42' ' ' GLU . 3.5 ptpt -54.01 -38.46 65.14 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.987 -0.552 . . . . 70.51 110.955 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.538 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 32.0 t -162.08 164.91 27.84 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.855 -0.794 . . . . 71.21 108.855 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.563 ' O ' HG23 ' A' ' 14' ' ' VAL . 80.4 m-85 -63.44 -28.66 70.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.542 -0.299 . . . . 74.42 111.116 -178.205 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -64.61 -38.6 91.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 60.42 110.78 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -70.81 -35.23 72.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.415 0.626 . . . . 75.32 110.099 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -64.31 -39.22 93.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.349 -0.841 . . . . 72.03 110.09 174.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.638 HG11 ' HB ' ' A' ' 81' ' ' THR . 69.2 t -55.43 -47.87 77.74 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.165 0 CA-C-N 116.015 -0.538 . . . . 64.23 110.312 175.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.63 -44.09 93.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.399 . . . . 63.43 111.075 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.5 t -61.81 -40.89 96.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.959 -0.564 . . . . 64.13 110.992 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -75.72 -34.38 60.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.984 0.421 . . . . 71.01 110.238 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.68 ' HA ' ' CE1' ' A' ' 21' ' ' TYR . 39.0 ttm -64.7 -44.55 89.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.67 -0.695 . . . . 75.14 111.496 -175.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -65.8 -22.64 66.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.939 0.399 . . . . 73.11 110.501 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.3 m -76.73 -52.46 9.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.189 -0.459 . . . . 63.42 110.896 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.68 ' CE1' ' HA ' ' A' ' 18' ' ' MET . 3.8 p90 -80.46 0.83 31.82 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 120.766 -0.374 . . . . 74.55 110.76 -178.243 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.5 t -57.72 -25.35 60.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 73.44 110.828 175.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.3 mtm105 -67.71 -19.79 65.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.171 0.51 . . . . 75.55 110.87 177.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -108.76 13.23 25.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.814 -0.63 . . . . 73.44 110.088 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.614 ' HG ' HG23 ' A' ' 29' ' ' THR . 15.4 tp -127.05 141.4 51.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.311 -0.404 . . . . 71.22 110.361 -176.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.433 ' HB3' HG22 ' A' ' 29' ' ' THR . 0.5 OUTLIER -62.35 151.01 37.98 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.099 -0.5 . . . . 73.31 109.819 174.005 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.7 mt -67.29 -42.04 87.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 116.133 -0.485 . . . . 74.23 110.524 -177.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.67 -42.1 96.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.115 -0.564 . . . . 61.44 112.89 -177.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.614 HG23 ' HG ' ' A' ' 25' ' ' LEU . 7.8 t -78.08 -40.38 38.62 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 122.706 -0.291 . . . . 74.03 110.813 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.612 ' HE1' ' HG2' ' A' ' 18' ' ' MET . 88.3 t80 -56.06 -52.45 64.21 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.094 0.474 . . . . 71.52 110.324 173.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 31' ' ' ARG . 14.8 ttt-85 -55.08 -34.98 64.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.365 -0.834 . . . . 74.42 111.428 177.594 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -68.22 -16.99 64.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.497 -0.774 . . . . 61.34 112.241 -172.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -144.77 28.79 1.26 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.251 0.463 . . . . 75.21 112.251 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -90.87 -33.66 15.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.853 0.359 . . . . 73.01 111.756 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -80.67 -21.15 41.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.034 -0.53 . . . . 72.15 111.879 -174.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 63.4 m -51.37 -61.68 2.09 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 112.921 0.712 . . . . 65.32 112.921 -172.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -61.84 -36.35 80.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.481 -0.327 . . . . 74.15 111.525 -175.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.795 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -69.81 -47.85 61.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.151 -0.477 . . . . 54.3 111.164 -174.899 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -67.73 -30.36 69.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.14 -0.482 . . . . 61.45 110.583 -176.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -63.53 -31.25 72.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.783 -0.644 . . . . 75.43 110.476 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' HE2' ' HB3' ' A' ' 41' ' ' LYS . 48.7 mtpt 53.5 90.24 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.907 0.755 . . . . 71.44 110.119 -172.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.669 ' HG2' ' HD2' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -74.68 111.28 9.72 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.669 -0.696 . . . . 70.34 112.404 -170.856 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -107.68 14.47 25.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.232 -0.894 . . . . 63.53 108.895 169.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.9 t -62.55 109.17 1.3 Allowed 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.536 -1.211 . . . . 55.55 110.543 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -136.16 137.01 40.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.762 -0.654 . . . . 73.34 110.479 -176.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.66 10.65 32.6 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.87 -0.681 . . . . 53.12 112.458 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.515 HD23 ' HB2' ' A' ' 51' ' ' GLU . 1.2 tt -85.77 111.63 20.32 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.633 -0.506 . . . . 65.33 109.633 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.648 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 2.8 mp0 -83.28 -173.84 4.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.672 -0.24 . . . . 75.54 110.574 177.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.468 ' HB3' ' SD ' ' A' ' 95' ' ' MET . 92.5 m-85 -76.83 -47.73 20.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.956 0.407 . . . . 64.14 110.473 -176.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -81.55 2.74 27.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.819 0.342 . . . . 70.32 110.66 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.648 ' HG2' ' HB2' ' A' ' 48' ' ' GLN . 17.8 mm-40 -85.8 -14.38 45.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.356 0.598 . . . . 62.23 109.64 174.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.09 82.56 7.67 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.608 -0.886 . . . . 75.23 108.608 175.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.469 ' O ' HD23 ' A' ' 57' ' ' LEU . 26.6 p -121.54 179.12 4.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.782 -0.645 . . . . 62.13 111.706 -174.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 99' ' ' PRO . 59.0 mp0 -56.91 -36.41 70.14 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.468 -0.787 . . . . 62.34 110.664 176.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.35 -40.51 85.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.756 -0.656 . . . . 74.11 110.358 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -63.32 -46.43 86.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 64.32 110.222 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 53' ' ' THR . 4.3 mm? -57.23 -43.73 83.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.312 -0.404 . . . . 74.15 110.867 178.081 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -65.12 -50.48 65.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.19 -0.459 . . . . 74.15 110.838 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.05 -43.22 99.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.093 -0.503 . . . . 74.24 111.211 -178.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -68.95 -34.24 75.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.869 -0.605 . . . . 72.43 110.246 -178.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.662 ' HB2' HD11 ' A' ' 79' ' ' LEU . 52.5 tp -59.58 -51.12 71.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 74.12 110.11 174.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.3 mt -58.89 -46.54 91.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.28 -0.873 . . . . 72.51 110.853 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -61.7 -40.27 94.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.927 0.394 . . . . 75.01 110.671 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.579 ' O ' ' HB2' ' A' ' 68' ' ' LEU . 5.4 tpp -62.9 -45.76 91.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.694 -0.684 . . . . 64.12 110.675 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -76.77 -32.59 57.82 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.379 -0.828 . . . . 74.31 111.114 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -80.65 -64.43 1.19 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.327 -0.397 . . . . 74.23 111.715 -176.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.7 m -79.95 -46.84 16.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.523 -0.308 . . . . 71.3 111.799 -173.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.579 ' HB2' ' O ' ' A' ' 64' ' ' MET . 80.3 mt -74.7 -14.09 60.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.568 -0.287 . . . . 65.24 111.173 -176.134 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.1 t 68.58 20.67 8.28 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.27 0.557 . . . . 64.24 110.952 175.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -80.98 148.65 29.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.22 -0.445 . . . . 74.41 109.851 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.65 161.11 30.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.284 -0.416 . . . . 71.31 110.404 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.66 -52.59 55.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.013 -0.54 . . . . 71.44 110.798 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.546 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 13.6 m -64.14 -34.84 78.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.716 -0.675 . . . . 65.51 111.184 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.5 m -67.84 -39.5 83.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.11 0.481 . . . . 42.13 110.501 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.76 -33.46 75.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.989 -0.551 . . . . 71.4 110.332 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -62.0 -37.38 84.63 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.856 -0.611 . . . . 54.11 110.332 174.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 73' ' ' SER . 28.6 mmt180 -64.35 -45.42 87.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 73.21 109.815 176.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -63.5 -37.88 89.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.332 -0.849 . . . . 74.4 111.375 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.662 HD11 ' HB2' ' A' ' 61' ' ' LEU . 88.9 mt -71.72 -35.48 70.19 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.94 0.4 . . . . 70.23 110.732 177.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.591 ' O ' HG12 ' A' ' 84' ' ' ILE . 31.5 t -65.19 -25.53 67.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.977 -0.556 . . . . 71.32 111.391 -177.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.638 ' HB ' HG11 ' A' ' 14' ' ' VAL . 70.6 p -63.3 -49.83 72.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.099 0.476 . . . . 62.35 110.461 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.654 HG23 ' HE2' ' A' ' 85' ' ' TYR . 70.2 mt -63.55 -41.03 91.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.633 -0.712 . . . . 71.24 110.136 177.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 87' ' ' SER . 14.7 tmtt? -57.89 -31.77 67.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.536 -0.756 . . . . 75.02 111.241 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.591 HG12 ' O ' ' A' ' 80' ' ' SER . 45.3 mm -60.38 -51.82 68.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 C-N-CA 120.987 -0.285 . . . . 34.13 111.148 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.654 ' HE2' HG23 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -74.15 -34.75 63.94 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.567 -0.453 . . . . 74.11 110.349 -176.822 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 90' ' ' ILE . 69.8 t -64.21 -45.54 96.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.816 0.341 . . . . 73.0 110.123 177.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.487 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 0.6 OUTLIER -56.22 -34.58 66.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.933 -0.576 . . . . 63.11 111.082 177.082 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.36 -38.87 63.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 32.44 110.727 177.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.67 -24.68 64.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.981 -0.554 . . . . 64.11 111.468 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 86' ' ' VAL . 63.4 mt -81.18 -30.06 11.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.091 0.472 . . . . 73.01 110.085 175.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.01 -44.14 63.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.951 -0.568 . . . . 61.12 109.765 -176.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 92' ' ' LYS . 46.1 tptt -167.06 71.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.299 0.571 . . . . 74.23 110.267 174.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -140.0 -77.45 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.391 -0.822 . . . . 74.44 112.412 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -160.79 -35.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.782 0.325 . . . . 74.55 110.929 -177.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.468 ' SD ' ' HB3' ' A' ' 49' ' ' PHE . 88.8 mmm -66.67 121.57 15.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.156 -0.474 . . . . 72.14 111.07 -179.084 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -83.18 -41.78 18.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.757 -0.656 . . . . 64.51 110.628 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -116.32 164.36 14.64 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.297 -0.865 . . . . 74.41 111.241 -169.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.902 ' HB2' ' HB2' ' A' ' 101' ' ' LYS . 4.0 m-20 -95.41 143.86 26.83 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.203 -0.908 . . . . 71.11 111.462 -173.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.461 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 5.4 Cg_exo -81.92 -1.78 11.01 Favored 'Trans proline' 0 C--O 1.225 -0.146 0 C-N-CA 124.085 3.19 . . . . 54.22 111.685 173.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.665 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 29.8 p90 -128.3 25.56 5.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.497 1.142 . . . . 72.54 110.32 177.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.902 ' HB2' ' HB2' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -81.27 -38.13 27.36 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 113.3 -1.773 . . . . 74.42 110.385 -179.354 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -105.23 9.31 34.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 75.42 110.59 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.665 ' HB2' ' HA ' ' A' ' 100' ' ' PHE . 15.1 t80 . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.043 -0.526 . . . . 72.53 111.2 -171.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 . . . . . 0 N--CA 1.444 -0.741 0 CA-C-O 121.047 0.451 . . . . 73.11 110.325 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -97.62 -21.25 17.15 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.608 -0.724 . . . . 65.0 111.336 -177.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.485 ' HB2' ' OD1' ' A' ' 12' ' ' ASP . 19.3 m -101.09 142.11 33.0 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.893 -0.594 . . . . 53.41 111.199 -173.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -58.57 -45.76 88.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.88 -0.6 . . . . 75.34 111.865 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.498 ' HB2' ' HA ' ' A' ' 38' ' ' ARG . 4.2 p80 -68.51 -21.53 64.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.832 0.349 . . . . 70.23 110.859 -177.664 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.485 ' OD1' ' HB2' ' A' ' 9' ' ' SER . 3.2 m-20 -81.67 -49.95 9.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.899 -0.591 . . . . 51.42 110.926 175.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.632 ' CD1' ' HB2' ' A' ' 85' ' ' TYR . 7.6 t80 -59.8 -47.19 86.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.656 -0.702 . . . . 73.2 110.617 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.7 t -59.52 -40.76 82.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.266 -0.425 . . . . 70.22 111.018 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.17 -38.51 91.33 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.96 0.41 . . . . 72.34 110.875 -178.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -74.5 -42.75 58.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.033 -0.53 . . . . 73.21 110.864 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -68.68 -34.67 76.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.019 0.437 . . . . 75.41 109.95 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.465 ' O ' ' HB2' ' A' ' 22' ' ' SER . 33.4 tpp -63.47 -36.39 83.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.819 -0.628 . . . . 73.15 109.909 176.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -69.41 -31.39 69.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.565 -0.743 . . . . 72.32 109.973 175.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.3 m -63.64 -57.13 11.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 73.43 111.418 -177.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -89.7 5.78 44.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.106 0.479 . . . . 72.5 111.289 -177.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.556 ' HA ' ' HB2' ' A' ' 25' ' ' LEU . 42.3 t -60.52 -10.42 5.02 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.841 -0.618 . . . . 75.22 111.445 173.217 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -55.66 -25.69 40.66 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.596 0.358 . . . . 74.34 111.874 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -118.14 19.56 13.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.983 0.421 . . . . 63.22 110.845 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.556 ' HB2' ' HA ' ' A' ' 22' ' ' SER . 4.3 mp -109.56 130.22 55.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.257 -0.429 . . . . 60.44 111.027 -178.169 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -70.02 157.75 36.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.811 -0.631 . . . . 74.35 110.888 174.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.403 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 40.8 mm -56.34 -39.07 58.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.977 -0.556 . . . . 63.12 110.806 176.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.504 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -51.05 -50.45 39.02 Favored Glycine 0 CA--C 1.519 0.333 0 CA-C-N 116.165 -0.47 . . . . 74.53 113.067 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 t -79.38 -37.87 36.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.967 0.384 . . . . 74.45 110.861 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -64.36 -46.28 84.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.487 -0.324 . . . . 54.21 111.327 -174.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.79 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 31.9 ptt180 -75.06 -23.74 58.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.742 0.306 . . . . 70.43 110.548 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.504 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 2.8 t60 -66.06 -16.3 63.8 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.285 0.564 . . . . 75.21 110.222 -178.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -144.58 46.17 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.443 -0.799 . . . . 74.42 109.509 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.79 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 26.0 tptp -78.43 -75.27 0.23 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.628 -0.714 . . . . 72.11 111.478 -175.386 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 4.0 m -105.53 -4.64 20.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.166 -0.47 . . . . 62.11 110.632 -175.15 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.7 m -51.14 -59.64 3.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.497 -0.774 . . . . 63.5 112.747 -172.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -64.9 -31.33 72.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.165 -0.47 . . . . 75.01 112.158 -175.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.498 ' HA ' ' HB2' ' A' ' 11' ' ' HIS . 41.4 ttt180 -77.2 -42.34 37.89 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.612 -0.435 . . . . 71.33 111.086 -175.223 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.442 ' HE2' ' HB3' ' A' ' 39' ' ' LYS . 50.1 mtpt -63.57 -70.47 0.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.899 -0.591 . . . . 71.01 112.127 -178.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.505 ' CE1' ' HG ' ' A' ' 68' ' ' LEU . 44.1 t80 -54.36 -43.98 71.81 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.255 -0.884 . . . . 75.21 111.875 -175.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -83.86 65.26 8.52 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.98 -0.748 . . . . 71.14 108.98 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.28 -25.4 65.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.029 -0.987 . . . . 74.13 113.079 -169.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -71.36 129.93 40.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.452 0.644 . . . . 73.41 111.882 -173.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 74.6 m -114.29 166.3 11.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.31 -0.859 . . . . 71.13 109.91 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.445 ' CD ' ' H ' ' A' ' 46' ' ' GLY . 0.2 OUTLIER 66.61 177.39 0.23 Allowed 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.564 0.54 . . . . 74.34 109.856 -178.127 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.445 ' H ' ' CD ' ' A' ' 45' ' ' GLU . . . 71.8 37.77 61.02 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.754 -0.736 . . . . 43.41 111.642 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -146.42 131.03 17.83 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.516 -0.55 . . . . 61.33 109.516 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.587 ' H ' ' HB2' ' A' ' 51' ' ' GLU . 2.9 tp60 -138.64 -170.32 2.81 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.005 -0.739 . . . . 64.12 109.005 178.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -82.44 -32.22 29.09 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.079 0.466 . . . . 70.24 110.878 -176.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -91.62 -2.59 57.03 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.104 0.478 . . . . 74.32 110.328 177.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.587 ' HB2' ' H ' ' A' ' 48' ' ' GLN . 40.8 mm-40 -81.1 -32.62 33.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.373 0.606 . . . . 71.3 109.539 173.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.448 ' HA ' HD22 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -84.04 87.22 7.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.25 -0.886 . . . . 72.21 109.362 -179.644 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.451 ' O ' HD23 ' A' ' 57' ' ' LEU . 27.1 p -128.34 -179.31 4.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.902 -0.59 . . . . 62.41 111.336 -176.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.693 ' CG ' ' HA ' ' A' ' 103' ' ' PHE . 4.1 tm-20 -61.12 -41.64 97.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 70.51 110.27 176.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.81 -44.35 81.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 65.21 110.295 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 57.2 t80 -63.16 -51.61 65.73 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.53 -0.759 . . . . 73.13 110.323 177.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.506 HD13 HD22 ' A' ' 79' ' ' LEU . 3.4 mm? -59.87 -42.67 94.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.478 -0.328 . . . . 54.11 111.656 -178.024 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.404 ' HD2' HH11 ' A' ' 58' ' ' ARG . 0.7 OUTLIER -60.08 -46.58 89.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.206 -0.452 . . . . 72.23 110.877 179.63 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -71.95 -37.07 70.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.058 0.456 . . . . 73.02 110.828 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 56' ' ' PHE . 7.1 t80 -69.27 -30.32 68.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.764 -0.653 . . . . 75.33 110.998 -175.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 58.8 tp -62.89 -48.8 77.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.219 0.533 . . . . 71.12 109.988 174.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 57.3 mt -62.03 -44.85 99.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.403 -0.817 . . . . 63.05 110.107 175.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -55.64 -40.65 72.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.808 -0.633 . . . . 74.51 110.94 177.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 10.2 tpp -64.68 -49.54 70.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.338 0.589 . . . . 72.21 110.244 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 7.3 tmtt? -63.33 -40.1 96.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.439 -0.8 . . . . 73.34 110.758 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -78.68 -64.29 1.21 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.299 0.481 . . . . 73.41 112.299 -177.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 46.3 m -78.14 -38.41 43.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 63.03 112.148 -169.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.505 ' HG ' ' CE1' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -83.31 -13.61 54.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.077 0.465 . . . . 73.55 109.841 179.219 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.4 t 60.28 37.83 20.15 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.671 -0.695 . . . . 41.41 110.045 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.433 ' O ' ' HA ' ' A' ' 65' ' ' LYS . 4.5 m-20 -101.38 156.3 17.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.791 -0.641 . . . . 72.43 110.308 178.426 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.08 169.29 16.05 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.421 -0.585 . . . . 75.03 109.421 174.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -32.5 74.19 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.928 -0.309 . . . . 61.22 110.288 -175.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.3 m -58.27 -46.64 85.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.132 0.491 . . . . 75.21 110.664 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -77.26 -37.11 53.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.856 -0.611 . . . . 73.03 110.647 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.72 -45.43 92.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.958 -0.564 . . . . 63.15 111.066 179.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -65.21 -36.73 85.08 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 116.285 -0.416 . . . . 74.23 110.888 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -68.18 -39.91 82.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.806 0.336 . . . . 51.43 110.126 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.418 ' O ' HG13 ' A' ' 82' ' ' ILE . 9.4 t-20 -62.38 -43.49 98.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.06 -0.518 . . . . 65.11 110.01 177.142 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.528 HD23 HD12 ' A' ' 82' ' ' ILE . 73.7 mt -66.04 -30.25 70.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.9 -0.591 . . . . 64.0 110.761 176.197 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.6 m -69.05 -39.37 79.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.542 -0.299 . . . . 75.22 110.894 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.6 p -69.84 -26.29 64.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.982 0.42 . . . . 75.21 110.51 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.528 HD12 HD23 ' A' ' 79' ' ' LEU . 79.3 mt -72.92 -38.07 55.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.634 -0.506 . . . . 64.43 109.634 172.468 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.449 ' O ' ' HB2' ' A' ' 87' ' ' SER . 46.5 tttm -59.97 -29.72 68.62 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 116.099 -0.5 . . . . 65.02 110.508 177.023 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.7 mm -54.2 -49.64 61.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 121.39 -0.124 . . . . 71.02 111.229 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.632 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -74.4 -33.15 62.94 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 120.606 -0.438 . . . . 75.32 110.358 -178.008 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 90' ' ' ILE . 89.0 t -67.4 -47.08 82.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.242 0.544 . . . . 73.31 110.434 177.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.459 ' HA ' HD12 ' A' ' 90' ' ' ILE . 0.4 OUTLIER -63.93 -36.8 85.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.351 -0.841 . . . . 73.42 110.997 178.803 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.89 -39.06 90.28 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.22 0.533 . . . . 72.12 110.117 174.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.583 ' HB1' ' HB3' ' A' ' 94' ' ' TYR . . . -66.33 -24.48 66.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.648 -0.706 . . . . 73.12 111.281 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 86' ' ' VAL . 81.7 mt -66.22 -45.87 88.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.955 0.407 . . . . 64.33 109.994 175.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt -68.6 -32.2 71.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.956 -0.565 . . . . 75.21 111.003 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.474 ' O ' ' HD3' ' A' ' 92' ' ' LYS . 12.3 tmtt? -66.24 -35.38 80.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.24 0.543 . . . . 71.2 109.718 176.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.26 11.86 28.52 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.843 -0.694 . . . . 70.12 111.696 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.583 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 13.4 t80 -85.98 -49.17 8.03 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.734 -0.469 . . . . 72.51 109.734 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.508 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 95.7 mmm -98.41 134.95 40.69 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.709 -0.678 . . . . 61.23 109.776 176.13 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -73.42 -45.32 55.21 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.245 0.545 . . . . 72.54 109.984 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -150.18 175.17 12.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.305 -0.861 . . . . 52.42 109.037 176.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 101' ' ' LYS . 1.5 p30 -83.86 156.66 64.25 Favored Pre-proline 0 N--CA 1.445 -0.683 0 N-CA-C 109.946 -0.391 . . . . 52.34 109.946 177.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.01 -6.82 20.07 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 122.618 2.212 . . . . 60.31 112.75 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.723 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 97.3 m-85 -85.62 -19.14 31.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.341 -0.39 . . . . 71.21 110.582 -178.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 12.9 mmtt -47.75 -51.65 21.44 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.66 -0.7 . . . . 72.14 112.229 172.351 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -110.55 9.2 23.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.257 0.551 . . . . 72.41 110.32 -175.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.723 ' HB2' ' HA ' ' A' ' 100' ' ' PHE . 85.9 t80 . . . . . 0 N--CA 1.464 0.241 0 CA-C-N 115.398 -0.819 . . . . 63.43 111.425 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 N--CA 1.446 -0.652 0 CA-C-O 120.891 0.377 . . . . 73.15 110.158 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -92.52 -6.59 49.4 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.004 -0.543 . . . . 65.53 111.083 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.941 ' HB3' ' HA ' ' A' ' 44' ' ' CYS . 13.6 p -144.55 150.34 37.35 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.456 -0.793 . . . . 70.42 110.668 -178.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.543 ' CE1' HG12 ' A' ' 82' ' ' ILE . 5.4 p90 -70.48 -26.7 63.74 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.776 -0.453 . . . . 64.3 109.776 177.263 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.417 ' HD1' ' CD ' ' A' ' 45' ' ' GLU . 20.7 m80 -58.57 -39.36 80.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.98 -0.555 . . . . 70.02 110.472 175.177 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.521 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 19.4 t70 -79.59 -39.78 30.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.825 0.345 . . . . 74.21 110.169 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -57.36 -52.55 64.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.699 -0.682 . . . . 72.34 110.982 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.664 HG11 ' HB ' ' A' ' 81' ' ' THR . 84.1 t -61.08 -41.69 90.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.394 . . . . 65.43 110.751 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.94 -38.55 82.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 65.01 111.204 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.9 t -74.4 -40.96 61.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.457 -0.338 . . . . 64.55 110.737 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.485 ' O ' ' HB ' ' A' ' 20' ' ' THR . 63.3 t80 -68.85 -37.76 79.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.114 0.483 . . . . 74.51 110.273 179.156 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.732 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 41.9 ttm -69.12 -33.46 73.51 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.546 -0.539 . . . . 74.24 109.546 176.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -64.99 -32.0 73.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.372 -0.831 . . . . 64.13 109.827 173.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.485 ' HB ' ' O ' ' A' ' 17' ' ' TYR . 88.9 m -59.48 -51.87 68.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.705 -0.68 . . . . 64.2 111.43 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.732 ' CE2' ' HA ' ' A' ' 18' ' ' MET . 47.7 p90 -87.65 -2.36 58.56 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 120.147 -0.621 . . . . 73.24 110.915 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.629 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 38.7 t -68.73 -10.64 57.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.061 -0.518 . . . . 52.45 110.773 174.345 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -65.59 -28.57 69.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.315 -0.402 . . . . 75.32 111.235 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.442 ' C ' ' HD2' ' A' ' 24' ' ' ARG . 4.5 ppt_? -113.03 3.93 16.42 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.794 0.664 . . . . 72.1 112.794 -172.263 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.629 ' HG ' ' HA ' ' A' ' 22' ' ' SER . 2.7 pp -110.37 159.39 17.49 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.3 0.571 . . . . 75.12 111.387 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -71.81 148.12 46.55 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-N 115.135 -0.939 . . . . 71.12 109.283 169.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.8 mm -63.74 -25.43 38.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 116.088 -0.505 . . . . 74.33 111.114 -174.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -53.81 -46.5 67.7 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 121.333 -0.46 . . . . 65.42 113.777 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.7 t -73.3 -40.28 64.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 117.207 0.503 . . . . 70.3 110.94 -178.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.416 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 82.7 t80 -60.48 -53.42 57.7 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.0 0.428 . . . . 52.31 110.951 175.142 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.565 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 50.7 ttt180 -63.51 -28.02 69.66 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.685 -0.689 . . . . 61.3 111.874 -177.479 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 8.2 t-160 -52.4 -32.73 40.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.63 -0.714 . . . . 73.1 111.706 -176.208 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -134.16 24.14 3.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.38 0.61 . . . . 75.21 110.18 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.565 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 14.7 tmtt? -77.11 -41.13 43.26 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.098 -0.955 . . . . 73.22 111.492 -173.048 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.1 m -85.64 -28.91 24.45 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.215 -0.448 . . . . 72.54 111.222 -174.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.7 t -53.19 -62.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.923 -0.58 . . . . 64.33 111.942 -174.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -61.36 -34.45 75.33 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.482 -0.781 . . . . 73.51 112.362 -173.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.521 ' NH2' ' HA ' ' A' ' 12' ' ' ASP . 23.4 mmt180 -77.88 -26.64 49.33 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.795 0.295 . . . . 71.14 111.795 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -70.14 -11.87 61.2 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.889 0.376 . . . . 73.14 111.522 -174.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.561 ' HD1' ' HG2' ' A' ' 42' ' ' GLU . 6.5 t80 -63.69 -22.92 67.15 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.166 0.508 . . . . 70.35 109.797 176.218 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.7 tptm 70.56 27.96 3.69 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.273 -0.876 . . . . 75.5 111.975 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.561 ' HG2' ' HD1' ' A' ' 40' ' ' PHE . 10.4 mm-40 -77.95 144.06 37.11 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.662 -0.496 . . . . 73.41 109.662 173.402 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -89.87 -73.64 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.04 0.448 . . . . 64.11 111.033 -175.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.941 ' HA ' ' HB3' ' A' ' 9' ' ' SER . 70.9 m -145.22 87.02 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.253 -0.431 . . . . 73.4 110.955 -178.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.561 ' OE2' ' HB2' ' A' ' 9' ' ' SER . 2.8 pm0 -87.05 112.87 22.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.486 0.66 . . . . 70.11 110.347 176.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -115.75 69.76 0.27 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.997 -0.62 . . . . 64.11 111.861 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.635 ' H ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -96.65 164.31 12.65 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 111.824 0.305 . . . . 61.34 111.824 -177.158 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.4 ' HB3' ' H ' ' A' ' 49' ' ' PHE . 80.9 mm-40 -118.56 -164.33 1.02 Allowed 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 112.355 0.502 . . . . 70.33 112.355 -174.321 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.473 ' CD1' ' HE2' ' A' ' 94' ' ' TYR . 25.6 p90 -56.47 -43.53 79.68 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.576 0.954 . . . . 71.33 113.576 -168.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -79.62 -16.77 55.23 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.431 -0.508 . . . . 74.22 110.626 -175.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.442 ' CB ' ' HB2' ' A' ' 47' ' ' LEU . 5.6 mp0 -83.38 -39.11 21.11 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.472 -0.566 . . . . 73.04 109.472 176.164 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.454 HD23 HD21 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -83.55 83.46 7.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.435 0.636 . . . . 70.31 109.44 177.412 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -129.37 174.31 9.74 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.546 -0.752 . . . . 63.44 110.166 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.751 ' HG3' ' HA ' ' A' ' 103' ' ' PHE . 3.3 tm-20 -55.73 -40.66 72.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.969 0.414 . . . . 73.34 109.984 176.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -55.67 -39.41 70.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.541 -0.754 . . . . 63.25 111.315 177.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -68.58 -47.91 65.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.483 -0.326 . . . . 64.11 110.659 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.95 -43.15 86.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 64.44 110.38 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -65.92 -47.99 72.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.71 -0.677 . . . . 61.21 110.623 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.79 -44.47 93.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 51.13 111.134 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -61.99 -41.01 97.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.842 -0.617 . . . . 70.45 110.073 -179.1 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.4 tp -65.33 -48.49 72.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.537 -0.756 . . . . 60.31 111.112 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 76.2 mt -63.47 -46.2 95.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.936 -0.575 . . . . 42.45 111.04 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -57.94 -37.61 74.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.153 0.501 . . . . 75.43 110.647 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.725 ' HG2' ' HB2' ' A' ' 75' ' ' ALA . 14.7 tpp -58.63 -45.74 88.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.344 -0.844 . . . . 73.55 110.789 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 69' ' ' CYS . 12.7 tmtt? -79.59 -39.91 30.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.795 -0.638 . . . . 73.12 110.771 -177.028 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -73.33 -63.69 1.14 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.373 -0.376 . . . . 73.35 111.799 -175.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.5 m -79.98 -47.26 15.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.397 -0.365 . . . . 64.45 111.633 -174.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 64' ' ' MET . 88.7 mt -83.55 -18.36 38.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.583 -0.28 . . . . 73.04 111.127 -176.354 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 76.4 m 64.58 28.76 13.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.205 -0.452 . . . . 72.13 111.334 178.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.685 ' HB2' ' HG3' ' A' ' 64' ' ' MET . 4.1 m-20 -91.45 160.0 15.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.281 -0.418 . . . . 74.14 109.9 177.21 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.74 161.2 27.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.613 -0.267 . . . . 73.21 110.745 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -62.49 -36.48 82.64 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.443 -0.344 . . . . 64.33 110.087 178.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.579 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 14.8 m -56.85 -47.1 81.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.916 0.389 . . . . 71.1 110.483 177.193 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.7 m -60.71 -47.03 88.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.948 -0.569 . . . . 71.12 110.677 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.725 ' HB2' ' HG2' ' A' ' 64' ' ' MET . . . -61.04 -41.24 96.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.64 -0.709 . . . . 73.55 111.188 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -61.42 -34.0 74.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.96 -0.564 . . . . 63.51 111.544 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.579 ' HG2' ' O ' ' A' ' 73' ' ' SER . 14.9 mmt180 -69.28 -41.88 76.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.378 0.608 . . . . 65.0 109.887 177.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -62.74 -46.72 86.76 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.513 -0.767 . . . . 74.13 110.267 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.472 HD23 HD12 ' A' ' 82' ' ' ILE . 94.5 mt -66.21 -31.36 72.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.797 -0.638 . . . . 74.52 111.98 -178.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.539 ' O ' ' HB2' ' A' ' 83' ' ' LYS . 95.7 p -65.44 -22.36 66.75 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.136 -0.225 . . . . 73.0 111.577 -177.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.664 ' HB ' HG11 ' A' ' 14' ' ' VAL . 54.5 p -75.37 -40.2 58.32 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.449 -0.575 . . . . 72.4 109.449 176.192 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.543 HG12 ' CE1' ' A' ' 10' ' ' PHE . 66.9 mt -60.51 -32.66 51.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.602 -0.726 . . . . 72.41 109.982 176.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.539 ' HB2' ' O ' ' A' ' 80' ' ' SER . 31.0 mmtp -50.46 -44.64 55.69 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.696 -0.683 . . . . 73.21 111.364 175.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.3 mm -59.59 -44.45 93.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.54 -0.3 . . . . 63.42 110.747 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -65.67 -49.47 68.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.112 0.482 . . . . 63.51 110.253 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.523 ' O ' HG13 ' A' ' 90' ' ' ILE . 95.9 t -60.74 -51.67 70.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.403 -0.817 . . . . 50.22 110.598 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 m -59.1 -40.87 86.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.807 -0.633 . . . . 73.3 111.845 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.12 -38.03 89.35 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.064 0.459 . . . . 62.13 110.449 176.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.635 ' HA ' ' HA3' ' A' ' 93' ' ' GLY . . . -70.98 -24.26 62.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.812 -0.631 . . . . 63.43 111.247 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 86' ' ' VAL . 81.3 mt -81.62 -36.91 14.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 120.961 0.41 . . . . 72.34 110.394 176.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -68.36 -45.32 73.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.068 -0.515 . . . . 74.32 110.122 -178.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -163.82 64.71 0.16 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.995 -0.548 . . . . 52.2 110.185 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.635 ' HA3' ' HA ' ' A' ' 89' ' ' ALA . . . -136.16 -83.84 0.16 Allowed Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.248 -0.977 . . . . 44.43 112.928 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.473 ' HE2' ' CD1' ' A' ' 49' ' ' PHE . 32.2 t80 -161.4 -29.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.874 0.369 . . . . 63.15 110.88 -172.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.441 ' SD ' ' HA ' ' A' ' 49' ' ' PHE . 95.6 mmm -71.78 124.57 25.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 75.22 110.639 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -84.39 -42.18 15.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.492 -0.322 . . . . 74.5 111.552 -177.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -121.16 167.52 12.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.317 . . . . 51.05 110.782 -174.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.459 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 11.0 m-20 -87.33 142.2 33.16 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.856 -0.611 . . . . 64.41 110.231 178.556 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 5.6 Cg_exo -82.65 -35.57 0.3 Allowed 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.839 2.359 . . . . 71.13 112.47 176.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.475 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 39.0 p90 -80.45 -29.24 37.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.257 -0.429 . . . . 72.41 111.608 -174.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -47.05 -47.67 22.54 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 122.855 0.462 . . . . 74.32 112.23 175.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -109.41 27.08 9.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.854 -0.612 . . . . 62.04 111.102 -175.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.751 ' HA ' ' HG3' ' A' ' 54' ' ' GLU . 49.0 t80 . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 115.766 -0.652 . . . . 74.32 109.55 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.444 ' HB3' ' OD1' ' A' ' 12' ' ' ASP . 0.3 OUTLIER . . . . . 0 CA--C 1.516 -0.328 0 CA-C-O 121.477 0.656 . . . . 75.42 111.703 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -102.28 -9.37 20.45 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.069 -0.969 . . . . 73.23 109.791 176.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.419 ' OG ' ' HA ' ' A' ' 45' ' ' GLU . 4.8 m -98.3 139.66 33.73 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 114.541 -1.209 . . . . 52.12 110.347 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.843 ' HE1' ' HB2' ' A' ' 44' ' ' CYS . 32.9 p90 -59.69 -42.41 92.91 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 120.503 0.192 . . . . 71.54 111.231 -177.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.677 ' HB2' ' HG3' ' A' ' 38' ' ' ARG . 8.7 p-80 -65.91 -28.28 68.82 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.995 0.426 . . . . 71.41 110.653 -178.625 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.444 ' OD1' ' HB3' ' A' ' 7' ' ' PHE . 5.0 t70 -80.85 -45.43 16.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.909 -0.587 . . . . 72.52 109.663 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -56.58 -51.43 68.63 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.061 -0.972 . . . . 61.34 110.213 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.558 ' O ' ' HB2' ' A' ' 18' ' ' MET . 88.9 t -57.16 -49.53 79.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.811 -0.631 . . . . 73.31 110.718 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.6 -30.86 67.56 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.84 0.311 . . . . 43.24 111.84 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.4 t -84.21 -51.55 6.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.808 0.337 . . . . 54.0 110.809 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -70.62 -30.59 67.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.334 -0.394 . . . . 70.22 111.242 -174.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.558 ' HB2' ' O ' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -63.2 -29.54 70.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.35 -0.386 . . . . 71.11 110.213 -178.607 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -60.11 -46.79 88.45 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.001 0.429 . . . . 74.12 110.401 176.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -62.41 -35.89 80.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.727 -0.67 . . . . 73.15 110.566 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -77.05 -29.37 55.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.815 -0.63 . . . . 75.14 110.362 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.595 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 43.3 t -67.82 -10.58 54.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.596 -0.729 . . . . 54.11 111.187 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.448 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 5.4 mmp_? -77.94 -10.77 59.75 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.131 0.491 . . . . 74.02 110.833 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -104.63 -23.01 13.15 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.775 -0.648 . . . . 74.32 112.062 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.595 ' CD1' ' HA ' ' A' ' 22' ' ' SER . 1.8 pp -113.89 171.58 7.5 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.075 0.464 . . . . 64.44 111.763 -176.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -75.4 154.3 37.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.567 -0.742 . . . . 73.34 110.194 176.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.1 mm -61.5 -36.01 70.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.071 -0.513 . . . . 74.32 110.478 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -63.17 -31.31 80.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.099 -0.572 . . . . 74.11 112.159 178.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.0 m -73.44 -49.35 27.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.069 0.462 . . . . 71.14 109.945 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.474 ' HB2' HD11 ' A' ' 25' ' ' LEU . 67.9 t80 -56.56 -51.75 67.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.353 -0.84 . . . . 72.35 110.815 177.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -65.49 -30.3 71.05 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.363 -0.835 . . . . 70.42 112.012 -176.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.439 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 8.4 t-80 -62.7 -34.99 78.28 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.08 -0.248 . . . . 74.3 110.683 -175.527 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.535 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 53.9 p-80 -151.82 77.58 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.628 0.728 . . . . 71.25 110.997 174.164 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -95.31 -42.82 8.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.221 0.534 . . . . 71.02 111.132 177.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.832 ' HB3' ' HB3' ' A' ' 38' ' ' ARG . 14.8 m -77.06 -54.41 6.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.748 -0.66 . . . . 73.1 111.029 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.535 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 61.8 m 53.95 -86.82 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.532 0.733 . . . . 44.33 112.128 -178.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -71.18 -36.09 71.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.05 0.452 . . . . 71.23 109.815 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.832 ' HB3' ' HB3' ' A' ' 35' ' ' SER . 32.7 ttt-85 -63.65 -33.73 76.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.453 -0.794 . . . . 64.11 109.85 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.48 -44.01 97.85 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 114.737 -1.12 . . . . 75.32 109.875 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.401 ' CE1' HD21 ' A' ' 68' ' ' LEU . 79.9 t80 -75.14 -44.21 48.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.705 -0.68 . . . . 70.14 110.426 177.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -153.98 110.81 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.024 0.916 . . . . 64.02 110.965 -177.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.413 ' H ' ' HG2' ' A' ' 42' ' ' GLU . 8.2 pt-20 -91.17 21.95 4.06 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.88 -1.055 . . . . 73.41 110.767 177.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -96.72 -165.08 1.22 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.646 -0.706 . . . . 71.55 109.742 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.843 ' HB2' ' HE1' ' A' ' 10' ' ' PHE . 83.0 m 68.63 98.57 0.06 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.615 0.721 . . . . 75.42 111.568 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.419 ' HA ' ' OG ' ' A' ' 9' ' ' SER . 3.4 tm-20 -114.71 117.17 30.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.036 -0.984 . . . . 74.32 109.502 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.8 92.87 1.93 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.767 -0.73 . . . . 55.2 112.67 -179.045 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.1 tt -126.52 118.79 25.63 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.371 -0.603 . . . . 71.24 109.371 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -96.76 -178.12 4.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.431 0.634 . . . . 62.2 111.758 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -67.02 -31.54 72.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.026 -0.988 . . . . 63.15 110.975 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -63.42 -32.11 73.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.503 -0.772 . . . . 71.43 110.603 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -80.34 -46.47 16.05 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.738 -0.665 . . . . 73.2 110.538 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.24 89.74 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.257 0.551 . . . . 73.42 109.616 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.7 p -134.74 166.54 22.72 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.862 -0.608 . . . . 53.04 111.09 -176.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -53.74 -38.83 64.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.928 -0.578 . . . . 62.12 110.715 176.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -59.33 -41.09 88.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.659 -0.701 . . . . 75.44 111.297 177.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -63.04 -48.01 80.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 60.22 110.092 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.45 -42.76 88.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.716 -0.674 . . . . 72.33 110.72 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.401 ' O ' HG13 ' A' ' 62' ' ' ILE . 31.4 ttt180 -66.31 -46.41 77.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.433 -0.349 . . . . 75.15 111.407 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.33 -40.38 96.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.853 0.358 . . . . 72.1 110.827 -176.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -68.54 -32.61 72.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.21 -0.45 . . . . 72.15 110.163 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.0 tp -65.33 -48.35 73.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.54 . . . . 74.33 110.559 175.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 58' ' ' ARG . 67.6 mt -60.18 -46.46 94.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.812 -0.631 . . . . 73.5 110.259 176.533 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -57.17 -40.44 77.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.349 0.595 . . . . 64.34 110.168 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.701 ' HG2' ' HB2' ' A' ' 75' ' ' ALA . 19.0 tpp -60.04 -42.62 94.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.4 -0.818 . . . . 62.23 110.963 178.152 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.547 ' O ' ' HA ' ' A' ' 69' ' ' CYS . 12.6 tmtt? -80.26 -38.92 29.97 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.82 -0.627 . . . . 74.54 110.698 -175.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -77.9 -65.38 0.98 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.231 -0.44 . . . . 74.24 111.685 -176.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.6 m -79.59 -45.1 19.8 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.014 -0.539 . . . . 71.42 111.653 -170.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.401 HD21 ' CE1' ' A' ' 40' ' ' PHE . 92.9 mt -85.62 -21.96 28.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.243 -0.435 . . . . 74.23 110.755 -178.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 50.8 m 59.81 77.79 0.3 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.739 -0.664 . . . . 62.11 111.537 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.438 ' H ' ' HA ' ' A' ' 65' ' ' LYS . 51.3 m-80 -142.12 157.4 44.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 73.43 109.95 178.411 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.46 168.2 19.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.353 -0.385 . . . . 72.51 110.459 177.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -62.11 -30.75 71.23 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.556 -0.293 . . . . 73.44 110.436 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.651 ' O ' ' HD3' ' A' ' 77' ' ' ARG . 8.4 m -57.03 -55.07 39.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.329 . . . . 62.11 110.465 178.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.2 m -62.96 -40.76 98.69 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.121 -0.49 . . . . 55.35 110.954 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.701 ' HB2' ' HG2' ' A' ' 64' ' ' MET . . . -65.93 -42.43 90.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.684 -0.689 . . . . 71.23 111.763 -177.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.433 ' HA ' ' OE1' ' A' ' 76' ' ' GLN . 12.8 mm-40 -63.16 -31.42 72.56 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 116.416 -0.356 . . . . 64.53 111.528 -177.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.651 ' HD3' ' O ' ' A' ' 73' ' ' SER . 11.6 mpt_? -60.16 -43.44 95.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.914 0.387 . . . . 74.21 110.367 174.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -67.29 -51.01 57.95 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.032 -0.531 . . . . 73.11 110.452 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.45 -33.4 74.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.52 -0.764 . . . . 41.41 111.256 -178.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.62 ' O ' HG13 ' A' ' 84' ' ' ILE . 16.1 t -66.5 -33.64 76.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.537 -0.301 . . . . 73.11 110.414 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.1 m -62.79 -41.83 99.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.365 0.602 . . . . 73.23 109.695 176.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.532 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 91.2 mt -65.27 -43.29 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.603 -0.726 . . . . 71.42 110.019 173.31 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.515 ' O ' ' HB2' ' A' ' 87' ' ' SER . 10.8 tmtt? -57.24 -33.92 68.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.097 -0.956 . . . . 72.43 110.939 -178.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.62 HG13 ' O ' ' A' ' 80' ' ' SER . 84.5 mt -61.02 -54.83 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 111.564 0.209 . . . . 75.41 111.564 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.532 ' CE2' ' HA ' ' A' ' 82' ' ' ILE . 14.4 p90 -73.96 -28.97 61.75 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 120.369 -0.532 . . . . 72.3 110.74 -173.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.545 ' O ' HG13 ' A' ' 90' ' ' ILE . 98.0 t -72.81 -40.7 61.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.27 -0.423 . . . . 44.31 110.299 176.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.515 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 0.6 OUTLIER -58.46 -36.55 73.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.051 -0.522 . . . . 73.31 111.828 -178.548 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.46 -44.41 76.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.061 0.458 . . . . 75.23 110.044 175.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.579 ' HA ' ' HA3' ' A' ' 93' ' ' GLY . . . -72.63 -22.96 60.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.408 -0.815 . . . . 61.5 111.338 178.088 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.757 HD13 ' HA ' ' A' ' 98' ' ' ASP . 81.0 mt -78.45 -45.2 26.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.152 0.501 . . . . 71.32 111.278 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.408 ' HD3' ' O ' ' A' ' 87' ' ' SER . 4.0 mptp? -78.56 -41.06 33.03 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.129 -0.487 . . . . 61.3 110.417 -174.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -149.82 71.13 1.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.46 0.648 . . . . 64.11 110.435 175.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.579 ' HA3' ' HA ' ' A' ' 89' ' ' ALA . . . -151.0 -90.37 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.361 -0.836 . . . . 64.13 112.795 175.266 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -143.88 -33.97 0.4 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.055 0.455 . . . . 73.25 110.854 -174.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.681 ' HB2' ' HA ' ' A' ' 90' ' ' ILE . 96.9 mmm -68.37 127.93 34.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.92 -0.582 . . . . 75.3 110.505 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.24 -48.02 45.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.087 -0.506 . . . . 64.51 111.374 -175.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -137.36 161.38 36.43 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.652 -0.499 . . . . 74.42 109.652 -175.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.757 ' HA ' HD13 ' A' ' 90' ' ' ILE . 4.0 m-20 -73.94 140.98 77.85 Favored Pre-proline 0 C--N 1.322 -0.605 0 O-C-N 123.481 0.488 . . . . 60.4 109.927 178.253 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 3.7 Cg_exo -78.79 -22.67 8.77 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.91 2.407 . . . . 74.02 113.552 -176.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.438 ' CD1' ' HB3' ' A' ' 98' ' ' ASP . 7.6 p90 -78.91 -9.07 59.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.114 0.483 . . . . 63.34 111.077 -175.197 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.8 -41.1 56.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.006 -0.997 . . . . 75.43 112.201 -177.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -106.81 -38.94 5.94 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.733 -0.387 . . . . 51.41 110.543 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 9.9 t80 . . . . . 0 N--CA 1.471 0.579 0 CA-C-N 114.962 -1.017 . . . . 71.45 112.41 174.498 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.515 ' CE1' ' HA ' ' A' ' 13' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.451 -0.419 0 CA-C-O 121.1 0.476 . . . . 71.35 110.443 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.8 ' HE3' ' HB3' ' A' ' 45' ' ' GLU . 60.3 pttt -99.96 -10.69 21.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.545 -0.752 . . . . 70.11 110.983 -177.386 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.808 ' HB3' ' HA ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -83.77 142.87 30.37 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.934 -1.03 . . . . 75.45 111.579 -175.435 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.493 ' O ' HG23 ' A' ' 14' ' ' VAL . 31.9 m-85 -66.7 -49.78 64.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.074 -0.512 . . . . 70.43 112.073 -177.668 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -68.18 -22.39 64.83 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.214 0.53 . . . . 73.44 110.182 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.8 -44.38 20.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.207 -0.906 . . . . 73.31 110.697 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.515 ' HA ' ' CE1' ' A' ' 7' ' ' PHE . 37.2 t80 -65.54 -44.86 85.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.865 -0.607 . . . . 75.44 110.609 179.407 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 10' ' ' PHE . 71.0 t -57.82 -37.03 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 116.21 -0.45 . . . . 75.24 111.283 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.49 -35.11 76.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.96 0.409 . . . . 63.1 111.187 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 t -83.43 -36.14 24.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.235 -0.439 . . . . 74.21 110.234 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -63.54 -41.74 98.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.444 -0.343 . . . . 72.14 110.488 179.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.686 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 41.1 ttm -61.7 -46.82 88.06 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.599 -0.519 . . . . 70.34 109.599 176.101 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -54.36 -36.92 64.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.342 -0.845 . . . . 73.22 111.028 177.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 50.7 m -55.6 -49.67 72.16 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.845 -0.616 . . . . 55.3 111.844 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.69 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 29.2 p90 -88.65 -13.26 40.24 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 120.423 -0.511 . . . . 73.21 110.946 -179.31 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.9 m -68.72 -8.86 46.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.798 0.332 . . . . 72.12 111.144 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -61.87 -22.17 65.31 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.43 -0.35 . . . . 74.34 111.187 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.69 ' HG2' ' O ' ' A' ' 21' ' ' TYR . 16.8 ptm180 -95.72 4.86 52.6 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.18 0.514 . . . . 73.51 110.431 177.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.435 HD12 ' HG3' ' A' ' 24' ' ' ARG . 10.3 mp -111.8 172.07 7.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.706 -0.679 . . . . 75.44 109.934 178.418 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -80.65 156.44 26.36 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.696 -0.853 . . . . 75.51 108.696 167.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.42 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 47.8 mt -66.5 -31.42 53.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.808 -0.441 . . . . 73.23 109.808 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.456 ' HA2' ' HG2' ' A' ' 31' ' ' ARG . . . -61.16 -46.85 93.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.13 -0.557 . . . . 61.42 112.319 176.192 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.4 m -63.72 -35.97 82.33 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.483 0.659 . . . . 74.42 110.022 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -68.21 -53.81 22.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.232 -0.895 . . . . 74.44 111.374 177.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.885 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 9.5 ptm85 -63.71 -19.91 65.31 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 111.966 0.358 . . . . 64.35 111.966 -174.603 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -69.68 -22.06 63.46 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.971 0.415 . . . . 72.44 111.045 176.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -98.35 -26.3 14.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.147 0.975 . . . . 61.35 108.916 172.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.885 ' HB3' ' HA ' ' A' ' 31' ' ' ARG . 1.1 tmtp? -80.58 -21.1 41.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.042 -1.435 . . . . 71.13 110.989 -173.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 p -64.17 -38.66 91.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.329 -0.396 . . . . 71.01 110.835 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.2 m -61.74 -48.89 78.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.975 -0.557 . . . . 64.51 110.099 175.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 62.1 mtt -59.55 -40.87 88.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.203 -0.908 . . . . 65.31 111.303 177.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.558 ' HG2' ' HD3' ' A' ' 34' ' ' LYS . 3.9 mmt180 -63.46 -41.5 98.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.551 -0.295 . . . . 74.32 111.434 178.136 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -67.88 -46.91 70.33 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.169 -0.469 . . . . 73.24 111.25 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -68.09 -26.35 65.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.4 110.117 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt 75.02 125.86 0.04 OUTLIER 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.121 -0.945 . . . . 54.32 112.532 173.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -71.34 141.33 50.43 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.078 -0.965 . . . . 75.33 109.144 170.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -128.48 -84.05 0.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.106 0.479 . . . . 72.15 111.096 -174.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 8.7 p -178.55 -34.45 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.159 -0.928 . . . . 52.21 110.238 -174.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.808 ' HA ' ' HB3' ' A' ' 9' ' ' SER . 11.2 pt-20 -159.43 -171.06 3.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.808 0.337 . . . . 65.32 110.938 177.328 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.67 -116.99 0.71 Allowed Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.306 -0.717 . . . . 61.25 111.306 -178.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.451 ' C ' HD22 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -98.88 159.5 14.92 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.873 0.368 . . . . 71.21 110.131 177.447 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -120.22 -176.76 3.28 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.923 -0.58 . . . . 75.12 111.144 -174.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -60.6 -30.2 69.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.325 -0.852 . . . . 60.41 111.051 -178.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -58.83 -28.59 66.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.038 -0.983 . . . . 73.24 111.096 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -104.35 -11.03 17.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.561 -0.29 . . . . 74.03 111.12 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.405 HD21 HG21 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -71.97 86.74 1.01 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.343 -0.614 . . . . 60.13 109.343 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.41 ' O ' HD23 ' A' ' 57' ' ' LEU . 6.5 p -141.73 -178.06 5.48 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.713 -0.676 . . . . 52.34 111.082 -173.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.711 ' HG3' ' HA ' ' A' ' 103' ' ' PHE . 1.0 OUTLIER -50.17 -49.26 52.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.917 -0.583 . . . . 72.11 111.112 177.619 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.31 -33.67 75.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.788 -0.642 . . . . 75.12 111.27 -176.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.43 ' CE1' ' HG ' ' A' ' 47' ' ' LEU . 77.4 t80 -67.65 -51.6 48.08 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.181 -0.303 . . . . 73.52 110.181 178.22 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 53' ' ' THR . 4.5 mm? -59.29 -43.42 92.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.043 -0.526 . . . . 65.23 110.452 179.259 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.61 -46.07 91.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.689 -0.687 . . . . 75.54 111.137 178.495 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -69.3 -41.85 76.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 50.33 111.375 -178.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -69.85 -31.16 68.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.23 -0.441 . . . . 64.43 110.27 -177.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.0 tp -58.13 -52.54 65.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 60.5 109.802 173.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.0 mt -60.49 -49.15 85.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.42 -0.809 . . . . 75.32 110.965 179.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -56.25 -43.0 78.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.138 0.494 . . . . 72.32 110.884 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.454 ' O ' ' HB2' ' A' ' 68' ' ' LEU . 8.8 ttp -71.91 -42.07 67.17 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.04 0.448 . . . . 74.31 111.515 -178.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 2.9 tmtp? -69.48 -42.74 74.43 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.079 -0.51 . . . . 63.03 110.586 -178.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -90.84 -64.48 1.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.02 0.378 . . . . 73.24 112.02 -175.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.8 m -70.2 -41.94 73.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.933 0.396 . . . . 72.22 111.613 -173.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 64' ' ' MET . 79.2 mt -83.95 -11.41 56.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.43 -0.35 . . . . 74.31 110.072 178.355 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 73.4 m 58.11 38.85 26.51 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.717 -0.674 . . . . 71.35 111.761 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.483 ' O ' ' HA ' ' A' ' 65' ' ' LYS . 4.3 m-20 -100.36 160.2 14.52 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.798 -0.445 . . . . 74.25 109.798 175.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.28 161.58 21.41 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.12 -0.326 . . . . 61.42 110.12 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.12 -34.65 78.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.143 0.497 . . . . 73.04 110.063 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m -59.89 -34.62 73.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.39 -0.823 . . . . 73.35 110.091 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -81.88 -39.73 23.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.624 -0.716 . . . . 63.43 110.322 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.4 95.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.439 -0.801 . . . . 54.24 111.606 -178.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -56.18 -37.31 69.42 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.293 -0.412 . . . . 75.15 111.446 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 77' ' ' ARG . 5.0 mpt_? -63.57 -46.2 86.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.69 0.281 . . . . 72.44 110.816 177.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -71.54 -37.94 71.08 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.231 -0.441 . . . . 74.04 111.078 -176.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.55 -33.83 76.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.007 0.432 . . . . 72.03 110.666 177.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.636 ' O ' HG12 ' A' ' 84' ' ' ILE . 58.1 m -70.78 -19.69 62.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.973 -0.558 . . . . 62.23 112.274 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 71.4 p -62.71 -56.16 20.21 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.939 0.4 . . . . 74.31 110.727 -177.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.405 HG21 HD21 ' A' ' 52' ' ' LEU . 60.9 mt -64.81 -34.74 72.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.898 -0.592 . . . . 74.31 110.057 177.25 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 87' ' ' SER . 14.7 tmtt? -59.81 -34.52 73.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.39 -0.823 . . . . 63.23 111.127 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.636 HG12 ' O ' ' A' ' 80' ' ' SER . 46.0 mm -59.81 -44.94 95.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.739 0.304 . . . . 35.12 110.664 177.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -72.7 -42.21 64.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.7 0.286 . . . . 72.21 110.76 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 90' ' ' ILE . 92.2 t -62.95 -43.35 98.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.954 0.407 . . . . 70.3 110.317 178.387 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 2.7 m -63.12 -39.15 93.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.756 -0.657 . . . . 53.32 111.282 177.041 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.84 -32.07 72.34 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.198 0.523 . . . . 53.54 110.561 175.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.43 -22.34 64.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.422 -0.808 . . . . 63.55 111.321 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.65 ' HA ' ' O ' ' A' ' 95' ' ' MET . 67.5 mt -72.69 -36.94 54.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.283 0.563 . . . . 71.32 110.558 178.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -77.71 -43.15 31.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.667 -0.697 . . . . 73.42 111.013 -175.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -146.68 65.4 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.226 0.536 . . . . 72.41 110.172 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -154.83 -102.23 0.2 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.579 -0.82 . . . . 23.34 113.131 176.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -143.51 -43.43 0.28 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.734 0.302 . . . . 74.31 111.283 -172.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.65 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 98.2 mmm -63.29 110.12 1.79 Allowed 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.847 -0.615 . . . . 72.25 110.456 -175.08 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -93.14 -39.78 10.85 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.88 -0.6 . . . . 74.31 109.558 -177.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -114.94 111.42 21.13 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.484 -0.78 . . . . 64.12 109.889 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.615 ' HB3' HD11 ' A' ' 90' ' ' ILE . 2.4 p-10 -71.46 154.71 93.32 Favored Pre-proline 0 N--CA 1.447 -0.6 0 CA-C-N 115.296 -0.866 . . . . 54.03 111.517 -174.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 16.2 Cg_exo -68.44 -15.71 42.23 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.995 2.463 . . . . 64.23 113.465 -176.334 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.891 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 50.2 p90 -94.59 -16.71 22.99 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.522 -0.471 . . . . 74.2 111.591 -178.272 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -72.14 -20.56 61.59 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.038 -0.528 . . . . 70.11 110.683 171.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -121.94 17.94 10.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.613 0.72 . . . . 73.02 109.416 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.891 ' HB2' ' HA ' ' A' ' 100' ' ' PHE . 43.2 t80 . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.1 -0.955 . . . . 71.03 110.474 -174.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.925 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 38.2 m-85 . . . . . 0 N--CA 1.44 -0.929 0 CA-C-O 121.16 0.505 . . . . 43.42 110.395 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.434 ' HG3' ' OD2' ' A' ' 12' ' ' ASP . 36.2 mttp -61.69 -35.51 78.2 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.016 -0.993 . . . . 64.32 111.953 -174.532 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.2 m -165.73 -175.25 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.693 -0.484 . . . . 74.21 109.693 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.52 ' O ' HG23 ' A' ' 14' ' ' VAL . 30.0 p90 -52.85 -40.99 63.84 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 123.183 0.302 . . . . 72.2 111.44 178.198 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -62.18 -27.31 68.88 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.051 0.453 . . . . 75.22 110.89 -177.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.925 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -79.72 -40.61 28.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.72 -0.673 . . . . 63.32 109.908 -175.189 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.402 ' HD1' ' HB2' ' A' ' 85' ' ' TYR . 26.1 t80 -65.33 -41.87 93.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.573 -0.74 . . . . 74.31 109.377 176.362 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 10' ' ' PHE . 79.0 t -56.56 -51.71 62.13 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 CA-C-N 115.544 -0.753 . . . . 75.42 110.796 178.24 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -59.06 -34.13 71.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.447 -0.342 . . . . 44.31 111.52 -176.653 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.3 t -68.56 -46.09 70.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.342 -0.39 . . . . 42.31 110.935 -178.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -78.16 -30.5 49.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.041 0.448 . . . . 63.0 110.617 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.467 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 33.4 tpp -60.7 -29.34 69.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.949 -0.569 . . . . 75.24 110.742 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 30.4 mmtp -58.1 -36.61 73.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 65.13 110.701 175.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 m -76.41 -27.89 56.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.488 0.661 . . . . 63.42 110.605 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -86.98 -11.16 51.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.817 -0.629 . . . . 75.12 110.859 -176.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.451 ' HA ' ' HB2' ' A' ' 25' ' ' LEU . 87.4 p -68.56 -10.09 53.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 64.11 111.929 -176.356 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -57.28 -26.68 61.21 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 111.808 0.299 . . . . 73.2 111.808 -176.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -120.93 29.47 7.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.957 0.408 . . . . 73.02 110.866 175.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 30' ' ' PHE . 2.6 mp -129.71 124.32 33.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.176 -0.465 . . . . 73.43 110.97 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -77.07 160.13 29.31 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.83 -0.433 . . . . 54.12 109.83 173.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.4 mm -55.38 -41.34 61.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 123.242 0.339 . . . . 62.03 111.737 -176.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.508 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -55.07 -54.88 31.04 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 116.125 -0.489 . . . . 71.34 112.881 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.1 t -76.68 -29.25 56.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.697 0.284 . . . . 72.54 110.988 -178.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.487 ' HA ' HD23 ' A' ' 25' ' ' LEU . 91.7 t80 -59.44 -54.44 46.61 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.394 -0.366 . . . . 73.14 110.587 179.001 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.63 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 27.5 ptt180 -76.7 -20.39 56.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.323 . . . . 72.54 110.776 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.508 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 8.2 t60 -57.31 -33.76 68.04 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 116.089 -0.505 . . . . 73.33 110.979 -177.537 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -118.09 21.22 12.9 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.307 0.575 . . . . 74.42 110.091 177.519 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.63 ' HB3' ' HA ' ' A' ' 31' ' ' ARG . 76.4 tttt -95.13 -43.75 7.96 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.425 -0.807 . . . . 61.43 110.217 179.15 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.9 p -76.27 -26.93 56.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.47 -0.786 . . . . 64.14 112.085 -176.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.8 m -53.21 -69.84 0.11 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.442 0.534 . . . . 73.21 112.442 -174.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -66.3 -25.47 66.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 71.33 111.415 -177.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -67.73 -51.28 51.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.245 0.545 . . . . 73.22 110.308 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.439 ' HB3' ' HE2' ' A' ' 39' ' ' LYS . 2.9 tmmm? -66.3 -27.79 68.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.124 -0.944 . . . . 72.41 110.765 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -77.75 -2.19 35.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.985 -0.552 . . . . 73.22 111.787 -175.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -74.77 76.95 2.08 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.443 0.639 . . . . 64.43 110.36 177.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -63.61 -43.49 96.73 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.046 -0.979 . . . . 52.23 110.122 173.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -137.5 172.36 13.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.474 -0.784 . . . . 73.54 109.281 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.0 m -84.67 129.36 34.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.833 0.349 . . . . 60.15 111.045 -177.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -149.88 115.78 5.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.757 -0.656 . . . . 73.3 109.274 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -81.16 -50.53 5.09 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.755 -0.736 . . . . 75.55 111.867 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.52 ' HG ' ' HB2' ' A' ' 51' ' ' GLU . 9.7 tt 67.91 109.29 0.05 OUTLIER 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.172 0.589 . . . . 63.44 110.482 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -82.19 -179.72 7.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.165 -0.47 . . . . 75.22 110.696 -178.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -62.62 -36.65 83.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.901 -0.591 . . . . 71.34 112.194 -173.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -79.88 -9.48 59.68 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.691 -0.404 . . . . 73.15 111.684 -174.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.52 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . 2.3 mp0 -88.02 -20.25 26.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.968 0.413 . . . . 75.02 110.294 175.397 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.16 86.76 7.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.399 0.618 . . . . 53.44 109.434 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.481 ' O ' HD23 ' A' ' 57' ' ' LEU . 39.8 p -126.84 178.48 5.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.827 -0.624 . . . . 65.21 110.83 -177.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.556 ' OE2' ' HD3' ' A' ' 58' ' ' ARG . 2.4 tm-20 -58.95 -31.8 69.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.806 -0.634 . . . . 73.0 110.193 176.314 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -62.34 -48.69 78.7 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 115.717 -0.674 . . . . 73.22 110.704 177.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -61.07 -44.04 97.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.55 -0.296 . . . . 64.52 110.507 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.562 HD13 HD22 ' A' ' 79' ' ' LEU . 3.9 mm? -58.55 -50.5 73.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.138 -0.483 . . . . 63.15 111.322 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.556 ' HD3' ' OE2' ' A' ' 54' ' ' GLU . 13.9 ptt180 -73.57 -26.43 60.82 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.609 -0.436 . . . . 73.54 110.995 -176.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -74.64 -44.19 51.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.722 0.296 . . . . 72.24 111.037 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -64.18 -31.76 73.08 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.698 -0.482 . . . . 62.54 109.698 -178.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.3 tp -57.39 -53.28 59.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.477 -0.783 . . . . 75.34 110.392 173.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 64.5 mt -67.24 -40.97 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.833 -0.621 . . . . 74.31 110.431 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -54.71 -47.49 73.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.628 -0.715 . . . . 75.52 110.459 177.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.601 ' HE1' ' HB2' ' A' ' 78' ' ' ASN . 5.2 ttp -71.56 -38.45 70.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.892 -0.595 . . . . 72.3 111.158 179.073 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.536 ' HE2' ' HA ' ' A' ' 71' ' ' ALA . 6.1 tmtt? -63.52 -40.55 97.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.996 -0.547 . . . . 64.13 110.735 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -84.36 -62.9 1.44 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.217 -0.447 . . . . 73.21 111.751 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.5 m -70.29 -38.26 74.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.207 -0.451 . . . . 71.0 112.017 -174.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 64' ' ' MET . 66.1 mt -99.32 -8.02 25.49 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 121.09 -0.244 . . . . 72.41 111.557 -176.523 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 61.4 m 65.83 9.64 6.21 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.435 0.531 . . . . 73.41 112.435 176.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.496 ' O ' ' HA ' ' A' ' 65' ' ' LYS . 13.4 m120 -83.4 149.52 26.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.911 0.386 . . . . 64.51 111.114 -177.02 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.536 ' HA ' ' HE2' ' A' ' 65' ' ' LYS . . . -86.58 174.11 9.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.953 -0.567 . . . . 70.1 111.044 -177.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -56.55 -36.92 69.84 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.205 -0.452 . . . . 65.01 111.18 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.9 p -54.72 -51.19 66.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.054 -0.521 . . . . 62.4 111.247 -178.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.8 m -69.47 -46.11 67.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.985 -0.552 . . . . 71.33 110.32 177.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.21 -40.66 77.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.81 -0.632 . . . . 74.13 112.302 -176.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -62.36 -33.27 74.41 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 120.724 0.297 . . . . 73.32 111.289 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 77' ' ' ARG . 58.7 mtt180 -69.3 -38.96 78.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.135 0.493 . . . . 71.22 110.539 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.601 ' HB2' ' HE1' ' A' ' 64' ' ' MET . 18.3 m120 -67.48 -46.76 72.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.768 -0.651 . . . . 43.42 110.369 176.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.562 HD22 HD13 ' A' ' 57' ' ' LEU . 96.0 mt -63.9 -34.72 78.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.964 -0.562 . . . . 71.01 110.571 178.088 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.664 ' O ' HG12 ' A' ' 84' ' ' ILE . 23.2 t -62.22 -37.35 85.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 63.15 110.139 176.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.5 m -68.23 -36.87 80.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.182 -0.463 . . . . 64.42 110.347 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 89.2 mt -65.61 -49.69 76.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.879 -0.6 . . . . 73.02 110.688 176.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.613 ' HG3' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -60.27 -27.98 67.7 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-O 119.425 -0.322 . . . . 75.32 111.394 -179.528 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.664 HG12 ' O ' ' A' ' 80' ' ' SER . 37.3 mm -57.1 -54.95 23.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 117.841 0.291 . . . . 72.4 111.255 174.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.402 ' HB2' ' HD1' ' A' ' 13' ' ' PHE . 2.2 p90 -73.69 -33.19 64.3 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 120.662 -0.415 . . . . 61.02 110.485 -175.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.526 ' O ' HG13 ' A' ' 90' ' ' ILE . 92.7 t -65.53 -41.71 91.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.17 0.51 . . . . 64.41 110.033 175.675 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 m -63.08 -29.14 70.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.503 -0.771 . . . . 54.53 111.374 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.2 -34.41 77.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.195 0.521 . . . . 74.15 110.164 174.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.62 -23.43 49.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.56 -0.745 . . . . 63.32 110.669 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 86' ' ' VAL . 51.1 mt -81.78 -30.94 10.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.218 0.532 . . . . 72.21 110.122 175.003 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -64.84 -45.88 84.26 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.67 -0.696 . . . . 73.22 110.661 -177.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -167.72 68.98 0.09 Allowed 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.469 0.652 . . . . 70.53 109.74 172.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -130.76 -85.2 0.34 Allowed Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.361 -0.836 . . . . 74.22 111.627 176.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -160.08 -19.26 0.06 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.047 -0.261 . . . . 75.13 111.335 -177.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.406 ' HB2' ' HA ' ' A' ' 90' ' ' ILE . 97.4 mmm -56.8 135.06 55.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.065 0.46 . . . . 74.34 111.259 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -86.71 -46.3 10.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.75 -0.659 . . . . 74.11 110.66 -178.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -135.17 164.95 26.52 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.657 -0.702 . . . . 75.11 109.433 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.645 ' OD2' ' HB2' ' A' ' 101' ' ' LYS . 5.1 p-10 -96.1 144.48 27.9 Favored Pre-proline 0 C--N 1.318 -0.794 0 N-CA-C 109.923 -0.399 . . . . 71.33 109.923 177.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -77.08 -18.42 14.46 Favored 'Trans proline' 0 CA--C 1.529 0.275 0 C-N-CA 122.54 2.16 . . . . 63.43 113.199 -176.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -85.59 -13.88 47.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.221 0.534 . . . . 74.32 111.443 -176.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.645 ' HB2' ' OD2' ' A' ' 98' ' ' ASP . 1.5 tmmt? -72.13 -33.94 68.18 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.599 -0.728 . . . . 65.14 109.854 174.138 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -90.84 -4.01 56.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.761 -0.654 . . . . 74.2 111.371 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 35.7 t80 . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 121.329 0.585 . . . . 72.23 111.511 -172.04 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.688 ' HA ' ' CB ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.445 -0.688 0 CA-C-O 122.263 1.03 . . . . 74.12 113.232 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 mttp -106.61 -23.92 12.31 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 113.289 -1.778 . . . . 75.34 108.49 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 m -135.95 174.22 10.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.683 -1.144 . . . . 72.3 110.387 -178.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.512 ' O ' HG23 ' A' ' 14' ' ' VAL . 41.8 p90 -58.63 -38.8 78.84 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.333 -0.394 . . . . 74.4 111.673 -178.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.481 ' HD2' ' SD ' ' A' ' 37' ' ' MET . 2.7 t-80 -56.01 -40.7 73.77 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.258 0.552 . . . . 72.04 110.847 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.688 ' CB ' ' HA ' ' A' ' 7' ' ' PHE . 6.9 m-20 -73.63 -42.09 61.91 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.216 -0.902 . . . . 71.13 110.266 -171.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.414 ' N ' ' HB3' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -65.56 -41.94 92.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.452 -0.795 . . . . 74.23 110.416 -179.494 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 10' ' ' PHE . 88.5 t -60.29 -40.04 82.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.241 -0.436 . . . . 72.45 110.355 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.59 ' O ' ' HG3' ' A' ' 19' ' ' LYS . . . -63.19 -39.22 94.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.7 -0.682 . . . . 34.41 111.319 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.6 t -57.29 -42.36 81.54 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.87 0.367 . . . . 75.22 110.561 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -76.78 -44.36 33.12 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.161 -0.472 . . . . 73.41 110.793 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.467 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 41.1 ttm -64.6 -28.73 69.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.961 -0.563 . . . . 72.14 111.705 -175.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.59 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 96.6 mttt -48.62 -54.76 13.37 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.985 0.421 . . . . 71.5 110.952 175.021 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.5 m -76.28 -31.67 58.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.343 0.592 . . . . 73.35 110.745 -179.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.467 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 22.0 t80 -76.44 -12.73 60.09 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.568 -0.742 . . . . 73.23 111.718 -173.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.7 p -62.99 -18.35 63.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.541 -0.299 . . . . 65.23 111.214 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 -60.99 -29.04 69.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.38 . . . . 73.42 110.817 176.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.0 mtp85 -104.75 9.84 34.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.043 -0.526 . . . . 64.44 110.81 -177.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 mp -114.77 125.63 53.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.123 -0.489 . . . . 73.12 110.377 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.28 152.71 28.4 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 109.418 -0.586 . . . . 52.34 109.418 173.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.0 mm -62.36 -36.04 72.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 116.334 -0.394 . . . . 53.45 110.221 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.45 -55.29 30.43 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 116.122 -0.49 . . . . 61.31 113.075 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.5 t -64.02 -41.32 97.47 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 117.217 0.508 . . . . 53.41 111.0 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.34 -43.33 99.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.247 0.546 . . . . 62.52 110.749 178.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.586 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 56.1 ttt180 -72.93 -32.84 65.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.695 -0.684 . . . . 70.53 111.809 -174.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -51.25 -44.2 61.69 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.955 0.407 . . . . 75.12 111.886 -177.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.515 ' CE1' ' HA ' ' A' ' 78' ' ' ASN . 6.3 t-80 -119.94 19.94 12.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.202 0.525 . . . . 75.42 110.311 -174.65 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.586 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 9.1 tmtt? -61.36 -68.91 0.27 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.032 -0.985 . . . . 73.5 111.598 -174.242 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.1 m -66.92 -35.41 79.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.015 -0.538 . . . . 74.34 111.031 -176.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 83.9 m -55.15 -53.67 52.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.423 -0.808 . . . . 44.22 111.816 -177.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.481 ' SD ' ' HD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -54.7 -38.39 66.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.823 -0.626 . . . . 72.45 111.35 -176.669 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -76.54 -51.62 11.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.063 0.458 . . . . 71.01 110.821 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.559 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.3 OUTLIER -61.04 -36.58 79.94 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.038 -0.983 . . . . 75.53 111.01 -176.24 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.455 ' HZ ' ' HG3' ' A' ' 64' ' ' MET . 45.8 t80 -66.93 -18.36 65.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.156 -0.474 . . . . 72.14 111.851 -174.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.693 ' HE2' ' HD1' ' A' ' 43' ' ' TYR . 84.0 tttt -75.73 82.55 2.7 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.488 0.661 . . . . 73.43 110.561 -177.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -76.29 -3.25 35.63 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.017 -0.992 . . . . 61.04 110.864 174.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.693 ' HD1' ' HE2' ' A' ' 41' ' ' LYS . 10.9 t80 66.68 22.25 10.45 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.677 -0.692 . . . . 74.53 110.956 176.492 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.2 m -67.12 -31.84 72.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.022 -0.535 . . . . 53.1 111.01 178.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -144.48 139.8 28.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.801 0.334 . . . . 74.32 110.604 -177.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.75 56.87 0.71 Allowed Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.305 -0.718 . . . . 64.03 111.305 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.435 ' HG ' ' CZ ' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -68.98 163.1 25.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.84 0.352 . . . . 60.31 111.504 -179.204 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -102.62 163.7 12.07 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.965 -0.562 . . . . 32.31 110.783 -175.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -74.39 -19.35 60.46 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.868 0.692 . . . . 60.12 112.868 -168.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -77.84 -17.88 56.91 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.232 -0.587 . . . . 70.32 109.517 176.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -91.6 -8.12 48.22 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.75 -0.659 . . . . 74.31 109.73 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.426 ' CD1' ' HG3' ' A' ' 99' ' ' PRO . 1.6 tm? -74.32 90.93 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.264 -0.88 . . . . 72.31 109.332 -179.103 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.466 ' O ' HD23 ' A' ' 57' ' ' LEU . 21.6 p -126.7 175.0 8.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.94 -0.573 . . . . 71.12 111.496 -174.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.561 ' CD ' ' H ' ' A' ' 54' ' ' GLU . 4.1 mp0 -53.47 -43.82 68.45 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 115.978 -0.555 . . . . 72.22 110.227 178.04 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -57.13 -49.0 77.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.213 -0.903 . . . . 75.22 111.077 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.435 ' CZ ' ' HG ' ' A' ' 47' ' ' LEU . 64.2 t80 -62.0 -47.11 86.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 64.44 110.309 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 53' ' ' THR . 4.0 mm? -57.65 -44.63 85.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.47 -0.332 . . . . 73.4 111.468 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -63.24 -47.15 83.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.425 . . . . 74.3 111.002 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -73.07 -40.08 65.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.857 0.36 . . . . 71.3 111.087 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -67.34 -32.48 73.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.211 -0.45 . . . . 72.32 110.543 -177.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.8 tp -55.19 -51.36 66.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.24 0.543 . . . . 64.33 110.034 174.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 47.9 mm -67.02 -48.1 80.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.446 -0.797 . . . . 60.4 110.472 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -55.61 -44.57 77.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.769 -0.651 . . . . 75.33 111.14 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.491 ' HA ' HD12 ' A' ' 68' ' ' LEU . 15.4 ttp -65.68 -48.42 72.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.859 -0.61 . . . . 75.23 111.683 -178.004 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.629 ' HA ' ' HB2' ' A' ' 70' ' ' ASN . 15.7 pttt -75.53 -29.61 59.5 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.688 -0.405 . . . . 73.42 111.793 -176.416 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -93.82 -64.34 1.09 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.839 0.352 . . . . 73.33 111.693 -176.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 m -72.35 -32.78 66.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.32 -0.4 . . . . 43.34 111.517 -172.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 64' ' ' MET . 86.9 mt -96.23 -1.1 48.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.37 -0.377 . . . . 64.52 110.843 -179.14 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.1 t 62.4 84.09 0.15 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.658 -0.701 . . . . 52.43 111.847 177.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.629 ' HB2' ' HA ' ' A' ' 65' ' ' LYS . 49.6 m-80 -146.35 178.82 7.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 74.04 109.836 178.214 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -114.7 173.4 6.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.32 -0.4 . . . . 64.22 109.981 177.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -58.92 -48.81 80.14 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.375 0.422 . . . . 64.41 110.899 -177.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.491 ' O ' ' HG3' ' A' ' 77' ' ' ARG . 40.5 t -58.02 -49.75 75.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.058 -0.519 . . . . 75.43 110.587 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.5 m -56.41 -46.87 79.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.024 0.44 . . . . 74.24 110.729 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.65 -46.79 86.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.659 -0.7 . . . . 71.42 111.644 -177.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -63.15 -40.31 97.2 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 120.912 0.387 . . . . 71.11 111.368 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' ' 73' ' ' SER . 66.8 mtt-85 -66.75 -35.08 79.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.127 0.489 . . . . 74.1 110.896 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.515 ' HA ' ' CE1' ' A' ' 33' ' ' HIS . 96.8 m-20 -63.48 -51.18 66.67 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.828 -0.624 . . . . 72.23 111.034 174.469 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.39 -34.88 76.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.857 -0.611 . . . . 73.51 112.363 -175.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.544 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 11.8 p -66.26 -18.66 65.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.754 0.311 . . . . 74.52 111.721 -177.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.3 m -75.42 -33.88 60.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.102 0.477 . . . . 71.14 110.359 174.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 55.7 mt -69.65 -41.92 80.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.619 . . . . 64.24 110.746 -178.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -59.33 -28.91 67.24 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.264 -0.425 . . . . 75.25 111.629 -177.895 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 63.3 mt -60.09 -48.45 87.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.772 -0.371 . . . . 64.11 110.095 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -73.31 -39.83 64.98 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 120.468 -0.493 . . . . 74.1 110.686 177.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.493 HG13 ' SD ' ' A' ' 95' ' ' MET . 53.4 t -56.79 -45.09 82.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.411 0.624 . . . . 44.01 110.322 177.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.435 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 1.3 m -62.34 -36.17 81.38 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.066 -0.97 . . . . 45.34 111.319 176.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.38 -30.72 60.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.391 . . . . 54.22 111.136 176.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.63 -22.91 66.11 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.996 -0.547 . . . . 70.31 111.119 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.619 ' HA ' ' O ' ' A' ' 95' ' ' MET . 78.0 mt -75.54 -30.46 22.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.286 0.565 . . . . 73.41 110.146 175.345 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -78.29 -45.21 23.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.816 -0.629 . . . . 65.11 111.004 -177.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -153.41 66.58 0.76 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.47 0.653 . . . . 75.34 110.709 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -145.19 -90.62 0.11 Allowed Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.362 -0.923 . . . . 20.54 112.311 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -163.85 -29.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.778 0.323 . . . . 74.51 110.844 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.619 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 89.1 mtp -78.62 153.71 30.85 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 116.379 -0.373 . . . . 63.54 110.272 -178.208 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -122.36 -41.96 2.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.212 0.53 . . . . 74.34 110.271 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -118.0 123.09 44.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.857 -0.61 . . . . 71.55 109.852 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 101' ' ' LYS . 5.2 p-10 -78.82 149.14 73.68 Favored Pre-proline 0 N--CA 1.448 -0.534 0 CA-C-N 116.297 -0.41 . . . . 72.34 110.185 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.426 ' HG3' ' CD1' ' A' ' 52' ' ' LEU . 31.5 Cg_endo -62.94 -21.21 73.03 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 123.06 2.507 . . . . 63.14 112.718 -178.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.462 ' HA ' ' HB3' ' A' ' 103' ' ' PHE . 81.1 m-85 -83.3 -0.38 49.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.128 -0.487 . . . . 72.41 111.424 -177.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -57.47 -51.22 70.33 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.949 -0.569 . . . . 52.33 110.272 175.545 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -98.51 -24.56 15.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.773 -0.649 . . . . 72.12 110.822 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.462 ' HB3' ' HA ' ' A' ' 100' ' ' PHE . 56.6 t80 . . . . . 0 C--N 1.32 -0.683 0 CA-C-N 115.697 -0.683 . . . . 73.33 110.353 -177.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.471 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 63.7 m-85 . . . . . 0 N--CA 1.442 -0.831 0 CA-C-O 120.751 0.31 . . . . 75.23 110.576 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.477 ' HZ2' ' HB2' ' A' ' 8' ' ' LYS . 10.5 mtmp? -55.57 -47.8 75.83 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.234 -0.894 . . . . 75.24 111.848 -177.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.7 p -161.36 -169.18 2.22 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.065 -0.346 . . . . 71.31 110.065 -174.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.647 ' O ' HG23 ' A' ' 14' ' ' VAL . 24.8 p90 -57.72 -38.64 75.64 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 116.254 -0.43 . . . . 74.45 109.983 174.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -62.55 -38.45 90.08 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.087 0.47 . . . . 61.54 110.632 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.471 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 17.0 t0 -77.08 -33.79 57.05 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.601 -0.727 . . . . 53.41 109.793 -178.198 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -67.86 -38.53 83.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.452 -0.795 . . . . 75.51 110.014 175.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.768 HG22 ' HB2' ' A' ' 85' ' ' TYR . 53.1 t -54.75 -43.55 67.19 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 CA-C-N 116.091 -0.504 . . . . 73.24 110.388 176.272 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.2 -33.89 71.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 31.32 111.185 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.7 t -68.29 -46.21 70.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.239 -0.437 . . . . 72.13 110.919 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -78.09 -33.04 50.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 75.14 110.764 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.706 ' HG3' ' CE2' ' A' ' 21' ' ' TYR . 31.6 ttm -58.51 -31.36 67.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 63.24 110.366 179.29 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -49.94 -35.76 25.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.391 -0.822 . . . . 55.24 110.914 176.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 47.4 m -66.67 -57.74 6.56 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.223 0.453 . . . . 54.01 112.223 -176.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.706 ' CE2' ' HG3' ' A' ' 18' ' ' MET . 7.7 p90 -77.08 -22.49 52.73 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.667 -0.413 . . . . 64.31 111.367 -174.163 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.409 ' HA ' ' HB2' ' A' ' 25' ' ' LEU . 50.4 m -68.16 -10.41 54.0 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.913 0.387 . . . . 72.43 110.699 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -54.71 -35.1 63.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.71 -0.677 . . . . 72.31 111.062 176.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -114.07 18.25 17.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.221 0.534 . . . . 61.54 110.989 -177.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 22' ' ' SER . 13.3 tp -97.06 131.48 43.81 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.335 -0.617 . . . . 71.11 109.335 179.278 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.532 ' HG3' ' H ' ' A' ' 29' ' ' THR . 12.7 pt-20 -59.92 148.12 36.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.329 -0.396 . . . . 75.23 110.231 177.08 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.6 mm -62.42 -32.47 55.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.714 -0.675 . . . . 64.34 110.532 -176.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -57.0 -58.06 16.54 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.746 -0.661 . . . . 75.11 112.824 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.532 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 7.1 t -75.52 -34.93 60.83 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.946 0.373 . . . . 52.33 111.109 -176.465 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -53.98 -48.84 69.93 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 120.941 0.401 . . . . 52.21 110.898 174.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 31' ' ' ARG . 23.9 ttt180 -75.15 -30.13 60.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.093 -0.503 . . . . 75.14 110.636 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 79.8 t60 -67.4 -12.45 60.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.594 -0.73 . . . . 74.34 111.703 -175.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -113.86 5.13 16.14 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.349 -0.54 . . . . 74.41 111.437 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -68.22 -55.13 13.33 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.579 0.228 . . . . 72.23 111.577 -178.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.9 m -64.8 -28.62 69.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.031 0.443 . . . . 51.12 110.919 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.9 m -67.07 -48.07 69.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.814 -0.63 . . . . 65.53 111.046 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.62 ' HG2' HG21 ' A' ' 81' ' ' THR . 91.8 mtp -62.76 -26.81 68.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.101 -0.5 . . . . 63.22 111.741 178.584 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.487 ' HD2' ' HA ' ' A' ' 38' ' ' ARG . 2.7 tpt180 -73.51 -44.08 58.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.149 0.425 . . . . 73.14 112.149 -172.305 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -6.89 2.55 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.857 1.058 . . . . 62.41 113.857 -171.144 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.416 ' CZ ' ' HZ ' ' A' ' 10' ' ' PHE . 78.4 t80 -61.35 -32.32 72.22 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.339 -0.615 . . . . 72.45 109.339 174.093 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt 60.35 87.87 0.08 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 114.868 -1.06 . . . . 74.15 112.039 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -121.66 145.96 47.48 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 109.564 -0.532 . . . . 74.32 109.564 170.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -157.91 -37.43 0.07 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.021 -0.536 . . . . 65.45 110.997 -172.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 76.4 m -128.45 130.02 46.96 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.216 -0.661 . . . . 75.51 109.216 175.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 59.42 -155.86 0.35 Allowed 'General case' 0 CA--C 1.531 0.218 0 O-C-N 123.685 0.616 . . . . 65.13 110.663 -177.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -170.18 -124.36 0.74 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.75 -0.738 . . . . 72.45 112.116 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.7 tp -135.27 140.5 45.24 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.362 -0.607 . . . . 75.44 109.362 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.512 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 2.1 mp0 -85.59 174.35 9.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.843 0.354 . . . . 52.43 110.521 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -71.05 -52.77 17.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.924 -0.58 . . . . 71.51 111.61 -174.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -78.31 8.25 5.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.486 -0.325 . . . . 75.22 111.682 -175.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.512 ' HG2' ' HB2' ' A' ' 48' ' ' GLN . 6.9 mm-40 -93.1 -11.59 32.56 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.343 -0.614 . . . . 74.13 109.343 176.445 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.524 ' HG ' HG21 ' A' ' 86' ' ' VAL . 1.5 tm? -97.53 100.9 12.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.449 -0.796 . . . . 72.32 109.848 -177.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.5 p -127.29 178.08 6.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.105 -0.498 . . . . 74.44 110.765 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.714 ' HG2' ' HB2' ' A' ' 102' ' ' ASP . 2.1 mp0 -59.87 -35.7 75.36 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.983 0.421 . . . . 55.11 110.427 177.443 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.05 -41.95 97.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.722 -0.672 . . . . 72.25 110.316 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -61.52 -48.62 80.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.066 -0.516 . . . . 65.21 110.463 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.44 -45.27 92.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 71.45 111.234 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -67.92 -44.88 75.87 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.1 -0.5 . . . . 60.15 111.182 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -62.53 -43.42 98.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.311 -0.404 . . . . 42.13 110.722 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -67.69 -33.06 74.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 74.33 110.136 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.53 HD22 ' HZ ' ' A' ' 103' ' ' PHE . 53.4 tp -58.9 -48.0 82.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 73.31 110.066 174.358 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 74.2 mt -59.56 -44.11 92.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.578 -0.737 . . . . 72.23 110.474 175.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -55.75 -43.53 76.74 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.154 0.502 . . . . 74.51 110.708 175.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.532 ' HG3' ' HB2' ' A' ' 70' ' ' ASN . 4.0 tpp -66.39 -45.66 79.27 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.736 -0.666 . . . . 74.41 110.858 -179.303 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 13.2 tmtt? -71.66 -48.24 48.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.053 -0.522 . . . . 64.14 110.908 -177.082 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.4 ' C ' ' HD3' ' A' ' 66' ' ' LYS . 10.9 tmtt? -82.97 -61.84 1.76 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.416 -0.357 . . . . 72.42 111.083 -172.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.7 m -72.02 -42.71 66.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.466 -0.334 . . . . 71.25 111.807 -172.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.528 ' HB2' ' O ' ' A' ' 64' ' ' MET . 90.3 mt -86.04 -19.05 30.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.689 -0.232 . . . . 65.41 111.195 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 10.0 t 64.73 34.9 9.19 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 123.677 0.611 . . . . 64.24 110.39 -179.45 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.532 ' HB2' ' HG3' ' A' ' 64' ' ' MET . 89.9 m-20 -97.26 149.9 21.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.125 -0.488 . . . . 63.33 110.725 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.86 172.47 13.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.13 -0.486 . . . . 75.42 111.118 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -55.98 -47.97 76.71 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.924 -0.58 . . . . 61.13 111.378 -177.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.1 m -57.22 -46.98 82.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.759 -0.655 . . . . 65.11 110.963 -177.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.5 m -64.51 -42.21 95.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.989 -0.55 . . . . 74.54 110.857 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.454 ' HB2' ' HG2' ' A' ' 64' ' ' MET . . . -62.35 -47.84 82.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.896 -0.593 . . . . 71.13 111.717 -177.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -62.77 -47.47 83.38 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.347 -0.388 . . . . 71.21 111.734 -175.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -68.11 -24.8 65.06 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.918 -0.313 . . . . 52.11 111.402 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -73.74 -40.62 63.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.936 0.398 . . . . 64.41 110.276 173.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.4 mt -68.15 -28.86 67.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.033 -0.53 . . . . 55.14 110.88 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.742 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 75.5 m -54.53 -24.99 23.11 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.563 0.579 . . . . 55.54 112.563 177.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.62 HG21 ' HG2' ' A' ' 37' ' ' MET . 72.7 p -60.49 -53.33 58.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.048 0.451 . . . . 55.53 110.562 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 83.7 mt -70.41 -32.91 51.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.794 -0.639 . . . . 71.43 110.265 176.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.742 ' HB2' ' HA ' ' A' ' 80' ' ' SER . 25.8 mmtp -53.63 -51.63 62.47 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.372 -0.376 . . . . 72.24 111.348 176.33 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 80' ' ' SER . 72.7 mt -62.96 -34.51 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.883 0.373 . . . . 74.14 110.998 -178.012 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.768 ' HB2' HG22 ' A' ' 14' ' ' VAL . 83.4 t80 -70.2 -53.85 15.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.01 -0.541 . . . . 64.53 110.405 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.648 ' O ' HG13 ' A' ' 90' ' ' ILE . 78.5 t -64.1 -45.52 96.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.777 -0.647 . . . . 73.21 110.558 -178.324 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.574 ' HA ' HD12 ' A' ' 90' ' ' ILE . 4.4 m -57.62 -36.86 72.35 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.409 -0.359 . . . . 72.44 111.756 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.32 -32.82 69.04 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.204 0.526 . . . . 43.13 110.586 177.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.84 -23.07 55.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.795 -0.639 . . . . 45.05 111.103 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.648 HG13 ' O ' ' A' ' 86' ' ' VAL . 88.4 mt -74.83 -31.68 26.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.01 -0.541 . . . . 63.51 110.838 179.139 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.46 ' HD3' ' HA ' ' A' ' 91' ' ' LYS . 69.4 mmtt -75.46 -45.3 39.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.366 -0.379 . . . . 64.31 111.042 -175.478 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -163.63 71.8 0.26 Allowed 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.404 0.621 . . . . 74.54 110.184 173.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -139.36 -65.25 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.489 -0.778 . . . . 64.42 111.612 176.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -166.58 -36.78 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.007 0.432 . . . . 74.13 110.171 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 97.3 mmm -68.86 149.8 48.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.894 -0.594 . . . . 64.13 110.367 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -129.19 -47.59 1.21 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.386 0.612 . . . . 75.44 109.911 -177.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -98.06 120.8 39.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.682 -0.69 . . . . 60.35 109.343 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.59 ' HB3' HD13 ' A' ' 90' ' ' ILE . 4.1 p-10 -77.43 150.22 79.5 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 116.335 -0.393 . . . . 74.42 110.31 -177.568 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -85.34 -3.49 9.4 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.807 2.338 . . . . 65.44 113.186 -178.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.423 ' HB3' ' HE2' ' A' ' 83' ' ' LYS . 38.9 p90 -94.98 -27.91 15.41 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.385 -0.526 . . . . 75.22 112.27 -174.63 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -53.35 -48.92 68.12 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.02 0.438 . . . . 65.23 110.951 175.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.714 ' HB2' ' HG2' ' A' ' 54' ' ' GLU . 1.3 m-20 -88.92 -3.32 58.77 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.123 -0.49 . . . . 64.43 111.527 -174.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.53 ' HZ ' HD22 ' A' ' 61' ' ' LEU . 83.5 t80 . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 116.475 -0.33 . . . . 75.33 110.657 -178.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 . . . . . 0 N--CA 1.446 -0.644 0 CA-C-O 121.126 0.489 . . . . 71.22 111.136 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -76.85 -27.82 55.24 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.266 -0.879 . . . . 35.12 111.781 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.8 m -100.6 140.28 35.09 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.954 0.407 . . . . 74.44 111.374 -174.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.43 ' O ' HG23 ' A' ' 14' ' ' VAL . 32.8 p90 -58.78 -43.17 90.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.46 -0.791 . . . . 64.44 111.468 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -65.0 -26.32 68.24 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.931 0.396 . . . . 74.32 110.541 -178.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.08 -44.51 21.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.836 -0.62 . . . . 73.35 110.43 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -63.22 -47.11 83.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.774 -0.648 . . . . 63.34 110.502 179.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.433 ' CG2' ' HB3' ' A' ' 85' ' ' TYR . 95.6 t -63.0 -44.59 99.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.827 -0.624 . . . . 71.34 111.008 -178.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' A' ' 19' ' ' LYS . . . -59.92 -45.02 93.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.628 -0.26 . . . . 64.52 111.497 -177.15 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -68.13 -44.88 75.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.269 -0.423 . . . . 74.43 110.88 -177.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -69.44 -39.38 77.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.817 0.341 . . . . 73.24 111.254 -177.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.616 ' HG2' ' HE1' ' A' ' 30' ' ' PHE . 34.4 ttm -64.85 -28.97 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.376 -0.375 . . . . 50.44 111.391 -176.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 93.8 mttt -54.43 -35.78 63.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.05 0.452 . . . . 71.45 111.048 175.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.4 m -95.43 -30.64 13.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.069 -0.514 . . . . 72.02 110.766 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.614 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 88.5 t80 -62.64 -30.12 71.13 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.289 -0.414 . . . . 75.21 111.356 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 p -68.08 -10.71 56.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.432 -0.349 . . . . 75.23 111.75 -178.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -69.61 -19.14 63.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.161 0.505 . . . . 75.25 110.569 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -120.47 30.52 6.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.948 -0.569 . . . . 70.14 110.708 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.544 ' HG ' HG23 ' A' ' 29' ' ' THR . 15.2 tp -141.85 142.56 33.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.947 -0.57 . . . . 73.31 109.886 178.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.548 ' HB2' HG22 ' A' ' 29' ' ' THR . 23.2 mt-10 -64.75 147.24 53.51 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.415 -0.357 . . . . 63.44 110.286 173.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.2 mt -65.43 -34.84 73.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.382 -0.372 . . . . 54.21 110.286 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.12 -55.96 27.93 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 121.07 -0.586 . . . . 31.41 112.547 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.548 HG22 ' HB2' ' A' ' 26' ' ' GLU . 8.6 t -66.31 -43.49 86.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.48 0.181 . . . . 64.13 110.843 178.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.616 ' HE1' ' HG2' ' A' ' 18' ' ' MET . 66.2 t80 -52.51 -53.39 46.62 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.539 -0.301 . . . . 61.3 111.222 175.506 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -61.37 -34.84 75.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 75.24 111.664 -177.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -64.87 -32.54 74.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.397 -0.365 . . . . 73.45 110.981 -176.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -123.12 37.0 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.348 0.594 . . . . 71.44 110.134 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -86.08 -53.97 4.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.451 -0.795 . . . . 75.11 111.681 -176.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 m -68.24 -72.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 63.43 111.376 -171.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 83.3 m 43.11 -87.08 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.762 1.023 . . . . 64.43 113.762 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 64.6 mtt -64.14 -29.21 70.35 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.271 -0.422 . . . . 75.24 110.893 -176.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -63.94 -25.92 68.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.818 -0.628 . . . . 73.4 111.573 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.561 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 3.8 tmmm? -86.54 -31.78 21.06 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 121.37 0.605 . . . . 60.53 109.517 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -72.22 -8.38 54.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.502 -0.772 . . . . 74.24 110.661 -177.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 73.3 tttt 75.16 101.37 0.07 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.244 -0.889 . . . . 73.22 109.987 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -71.93 -176.92 1.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.332 -0.849 . . . . 73.5 111.99 -174.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 62.97 88.06 0.1 Allowed 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.03 -0.986 . . . . 74.01 110.39 -175.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.0 t -156.36 -164.39 1.66 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.571 -1.195 . . . . 72.22 108.215 -173.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -55.03 120.7 7.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.06 0.457 . . . . 74.44 110.895 178.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -78.31 77.41 1.71 Allowed Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.604 -0.725 . . . . 64.4 111.555 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 28.2 tp -59.86 125.61 24.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.815 0.341 . . . . 75.45 110.107 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -74.36 169.43 17.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.901 -0.591 . . . . 74.24 111.412 -175.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.575 ' HB2' ' HE2' ' A' ' 94' ' ' TYR . 47.0 m-85 -65.88 -49.04 69.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.521 -0.763 . . . . 75.15 110.845 -176.278 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.613 ' HA ' ' SD ' ' A' ' 95' ' ' MET . 26.4 t-80 -73.47 -11.32 60.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.869 -0.605 . . . . 71.51 111.066 -174.699 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -81.63 -11.78 58.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.894 0.378 . . . . 75.33 110.744 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.484 ' HG ' HG21 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -79.16 98.01 6.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.968 -0.56 . . . . 70.14 109.633 179.446 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.2 p -113.24 -178.84 3.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.887 -0.597 . . . . 53.34 111.867 -173.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -67.84 -38.1 82.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.741 -0.663 . . . . 74.13 109.763 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -57.23 -41.17 79.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.675 -0.693 . . . . 53.21 110.498 177.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -59.75 -51.66 68.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 75.32 110.025 177.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.28 -51.43 69.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.291 -0.413 . . . . 74.15 111.404 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.41 ' C ' ' HD3' ' A' ' 58' ' ' ARG . 3.2 tmt_? -59.19 -50.38 74.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 74.23 111.142 -176.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -68.57 -40.98 80.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.913 0.387 . . . . 61.22 111.06 -176.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -70.58 -34.15 71.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.133 -0.485 . . . . 74.53 110.401 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 58.5 tp -63.18 -50.39 70.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.915 -0.584 . . . . 70.43 110.444 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 58' ' ' ARG . 46.0 mm -57.76 -46.18 86.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.129 -0.487 . . . . 52.43 110.541 178.213 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -58.51 -42.03 86.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.765 -0.652 . . . . 74.34 110.643 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.61 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 13.5 ttm -70.08 -41.66 73.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.616 -0.72 . . . . 65.55 110.938 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.593 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 7.5 tmtt? -63.39 -45.53 90.65 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.269 -0.878 . . . . 73.42 110.93 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -80.78 -64.24 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.083 0.468 . . . . 73.34 111.893 -177.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 31.7 m -74.45 -43.82 54.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.038 -0.528 . . . . 43.52 111.894 -171.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.422 HD12 ' HG3' ' A' ' 64' ' ' MET . 87.1 mt -87.15 -11.1 51.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.503 -0.317 . . . . 75.31 110.726 -177.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 65.6 m 66.53 26.81 9.83 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.925 -0.58 . . . . 65.22 112.556 173.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.61 ' HB2' ' HG2' ' A' ' 64' ' ' MET . 32.9 m-80 -97.73 152.14 19.43 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 121.049 -0.26 . . . . 73.4 110.601 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.2 -177.7 4.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.405 -0.361 . . . . 63.03 110.29 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -55.63 -57.69 10.92 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.685 0.278 . . . . 65.34 111.6 -177.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.421 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 61.5 m -63.65 -35.98 82.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.449 -0.341 . . . . 53.04 111.295 -177.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.36 -39.78 77.86 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.128 0.49 . . . . 64.43 110.252 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.51 -42.96 91.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.801 -0.636 . . . . 74.02 110.621 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -58.56 -35.36 72.24 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.124 -0.489 . . . . 75.45 111.099 178.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 73' ' ' SER . 28.4 mmt180 -63.28 -43.32 98.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.009 0.433 . . . . 62.33 110.868 177.548 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -73.15 -41.42 63.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.71 -0.677 . . . . 75.04 110.783 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 71.1 mt -65.59 -21.34 66.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.507 -0.77 . . . . 71.45 112.104 -177.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.614 ' O ' HG12 ' A' ' 84' ' ' ILE . 73.3 m -50.4 -32.32 17.3 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.124 0.416 . . . . 62.41 112.124 176.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.5 p -63.63 -47.53 80.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.183 0.516 . . . . 73.53 110.917 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.639 HG23 ' HE2' ' A' ' 85' ' ' TYR . 72.8 mt -69.72 -36.59 70.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.75 -0.659 . . . . 70.14 109.97 177.376 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.415 ' HB3' ' HA ' ' A' ' 80' ' ' SER . 77.2 tttt -54.07 -43.17 70.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.555 -0.748 . . . . 74.3 111.422 176.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.614 HG12 ' O ' ' A' ' 80' ' ' SER . 41.7 mm -54.73 -51.25 53.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 112.332 0.493 . . . . 73.14 112.332 -176.029 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.639 ' HE2' HG23 ' A' ' 82' ' ' ILE . 1.7 p90 -72.82 -28.99 62.88 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 120.045 -0.662 . . . . 65.42 110.629 -173.022 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.501 ' O ' HG13 ' A' ' 90' ' ' ILE . 86.9 t -75.83 -47.98 30.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.222 0.534 . . . . 60.11 110.188 176.215 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 m -62.04 -35.42 78.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.239 -0.892 . . . . 73.25 112.142 -176.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.09 83.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.145 0.498 . . . . 54.2 110.609 176.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.431 ' HB1' ' HB3' ' A' ' 94' ' ' TYR . . . -75.65 -28.36 58.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.723 -0.671 . . . . 63.41 110.835 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 86' ' ' VAL . 80.1 mt -66.72 -44.27 89.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.084 0.468 . . . . 62.03 110.257 177.257 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -65.09 -42.75 93.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.718 -0.673 . . . . 75.44 111.164 -178.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.457 ' HD2' ' HA ' ' A' ' 92' ' ' LYS . 38.0 tptt -69.29 -34.81 75.28 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.868 -0.333 . . . . 72.53 110.881 -178.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 116.71 17.22 6.06 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.448 -0.882 . . . . 70.12 113.144 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.575 ' HE2' ' HB2' ' A' ' 49' ' ' PHE . 87.7 t80 -87.23 -46.57 9.6 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.451 -0.574 . . . . 64.05 109.451 175.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.613 ' SD ' ' HA ' ' A' ' 50' ' ' HIS . 90.8 mmm -93.21 105.58 17.64 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.911 -0.586 . . . . 64.44 109.428 174.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -82.06 -33.58 29.82 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.552 -0.749 . . . . 75.5 111.271 -174.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -119.73 134.65 55.15 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.066 -0.515 . . . . 61.1 110.459 177.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -80.57 150.61 70.37 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.556 -0.747 . . . . 73.04 111.071 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -79.97 -4.06 13.1 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.957 2.438 . . . . 63.24 113.217 -178.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.714 ' HB2' ' HD2' ' A' ' 103' ' ' PHE . 29.6 p90 -109.25 19.08 19.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.439 1.114 . . . . 73.33 110.745 -178.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -52.25 -25.56 9.66 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 112.926 -1.943 . . . . 74.35 113.06 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -74.08 -16.58 61.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.903 0.382 . . . . 62.51 111.273 -176.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.714 ' HD2' ' HB2' ' A' ' 100' ' ' PHE . 52.2 m-85 . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 116.229 -0.441 . . . . 71.44 110.152 176.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.691 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 52.6 m-85 . . . . . 0 N--CA 1.445 -0.722 0 N-CA-C 109.877 -0.416 . . . . 75.21 109.877 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -58.79 -44.53 90.75 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.997 0.427 . . . . 65.42 110.727 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.8 m -156.2 -178.53 7.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.855 -0.611 . . . . 74.44 110.52 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.439 ' O ' HG23 ' A' ' 14' ' ' VAL . 30.2 p90 -56.37 -41.16 75.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.868 -0.606 . . . . 74.14 111.497 179.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.821 ' HB2' ' HB3' ' A' ' 37' ' ' MET . 12.9 p-80 -62.79 -24.56 67.8 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.452 -0.34 . . . . 72.05 111.575 -174.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.691 ' HB2' ' HB3' ' A' ' 7' ' ' PHE . 7.4 m-20 -76.62 -45.85 28.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.928 0.394 . . . . 72.51 110.347 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -68.06 -43.52 78.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.941 -0.572 . . . . 74.43 110.18 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.498 ' CG2' ' HB2' ' A' ' 85' ' ' TYR . 86.8 t -61.14 -39.72 83.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.178 -0.465 . . . . 65.33 110.551 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.55 98.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.505 -0.316 . . . . 74.01 110.836 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -71.15 -38.11 72.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.998 0.427 . . . . 54.11 110.673 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -69.94 -42.55 73.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.047 0.451 . . . . 72.51 109.979 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.68 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 34.3 ttm -67.37 -35.08 78.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.981 -0.554 . . . . 63.4 110.043 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -55.83 -33.84 64.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.619 -0.718 . . . . 62.13 110.506 174.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.2 m -69.2 -52.83 23.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.653 -0.703 . . . . 72.31 111.611 -177.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.68 ' CE2' ' HA ' ' A' ' 18' ' ' MET . 16.2 p90 -90.03 3.55 52.87 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 120.73 -0.388 . . . . 65.44 111.548 -176.116 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.9 t -62.24 -10.68 11.5 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.063 0.459 . . . . 64.23 110.801 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -65.94 -30.59 71.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.678 -0.692 . . . . 74.03 110.389 178.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -102.55 -9.65 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 73.53 110.783 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.451 HD13 ' HE1' ' A' ' 21' ' ' TYR . 14.7 tp -89.23 128.25 35.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.497 -0.32 . . . . 74.1 110.21 -173.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.21 150.88 33.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.838 -0.619 . . . . 71.24 109.542 173.459 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.9 mm -67.19 -32.73 58.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.934 -0.575 . . . . 63.13 110.578 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.28 -54.01 28.67 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 121.203 -0.522 . . . . 72.31 113.303 -178.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.421 HG23 ' HG ' ' A' ' 25' ' ' LEU . 1.8 t -67.61 -52.06 42.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.018 0.409 . . . . 75.42 111.042 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.401 ' HB2' HD23 ' A' ' 25' ' ' LEU . 82.3 t80 -50.19 -49.69 51.7 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 123.203 0.314 . . . . 73.01 111.692 178.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -61.94 -21.87 65.15 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.215 0.821 . . . . 71.11 113.215 -173.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -85.79 -63.05 1.39 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.207 0.447 . . . . 63.44 112.207 -175.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -84.02 11.84 7.25 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.446 0.535 . . . . 74.03 112.446 -172.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.491 ' HD3' ' N ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -80.93 -33.29 34.16 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.057 0.455 . . . . 71.24 110.152 172.693 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.491 ' N ' ' HD3' ' A' ' 34' ' ' LYS . 15.6 m -75.5 -33.86 60.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.394 -0.821 . . . . 71.11 110.749 -179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.0 m -55.75 -52.2 64.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.799 -0.637 . . . . 61.11 111.51 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.821 ' HB3' ' HB2' ' A' ' 11' ' ' HIS . 71.7 mtm -60.6 -26.99 67.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.259 -0.882 . . . . 74.33 111.978 -178.412 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 5.8 mpt_? -77.13 -38.32 52.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.114 0.483 . . . . 63.25 111.024 178.68 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -73.33 -51.37 17.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.698 -0.683 . . . . 75.43 112.265 -172.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -68.61 3.25 1.93 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.893 1.072 . . . . 53.21 113.893 -169.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 38' ' ' ARG . 23.6 pttm -85.19 7.36 22.2 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.908 -0.495 . . . . 70.42 111.614 -175.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.69 -34.35 77.66 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.925 0.342 . . . . 73.15 111.925 -173.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -77.34 -14.28 59.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.657 0.265 . . . . 74.41 111.0 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.8 t 58.4 35.1 24.54 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.839 -0.619 . . . . 73.11 110.473 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -110.73 142.22 42.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.131 -0.486 . . . . 71.21 110.401 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.11 -138.65 8.34 Favored Glycine 0 N--CA 1.439 -1.121 0 N-CA-C 110.898 -0.881 . . . . 63.42 110.898 172.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.564 ' HG ' ' HB2' ' A' ' 51' ' ' GLU . 12.7 tp -166.51 135.37 2.94 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.432 -0.581 . . . . 65.4 109.432 -179.448 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -81.84 168.18 18.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.222 0.534 . . . . 65.13 110.616 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.416 ' HB2' ' SD ' ' A' ' 95' ' ' MET . 34.4 p90 -62.61 -42.54 99.64 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.223 -0.899 . . . . 71.53 111.488 -176.085 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -77.41 -10.69 59.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.858 -0.61 . . . . 52.44 111.333 -177.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.564 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . 48.4 mt-10 -84.45 -30.2 25.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.911 0.386 . . . . 74.3 110.164 177.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.402 HD23 HD23 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -72.45 98.89 2.35 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.226 -0.657 . . . . 71.14 109.226 178.723 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.9 p -137.46 172.33 13.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.75 -0.659 . . . . 52.42 110.672 -175.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.453 ' HG3' ' HA ' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -54.78 -42.37 71.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.137 0.494 . . . . 61.51 109.974 174.625 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -51.05 -46.8 61.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.983 -1.008 . . . . 63.3 111.26 176.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -61.66 -48.15 82.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.034 -0.53 . . . . 70.12 110.744 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.74 -42.92 84.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.476 -0.329 . . . . 65.52 111.151 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.471 ' O ' HG12 ' A' ' 62' ' ' ILE . 60.6 mtp180 -63.26 -55.62 23.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.026 0.441 . . . . 64.54 110.663 178.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -57.95 -44.73 87.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.249 -0.887 . . . . 75.24 111.715 -177.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -68.8 -36.77 78.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 62.32 110.367 -178.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 58.9 tp -58.74 -49.88 76.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 71.53 110.345 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 58' ' ' ARG . 51.6 mm -57.48 -47.92 83.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.582 -0.736 . . . . 62.02 110.512 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -56.43 -42.05 77.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.198 0.523 . . . . 74.33 110.824 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.583 ' O ' ' HB2' ' A' ' 68' ' ' LEU . 3.2 ttp -68.55 -38.5 80.85 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.762 -0.653 . . . . 60.33 111.653 -177.326 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 69' ' ' CYS . 19.4 ptmt -84.83 -23.1 29.21 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.512 -0.475 . . . . 72.12 111.902 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -90.51 -62.05 1.54 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.67 -0.241 . . . . 72.52 110.912 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.9 m -74.4 -47.76 31.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.858 0.361 . . . . 54.52 111.01 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.583 ' HB2' ' O ' ' A' ' 64' ' ' MET . 96.9 mt -84.02 -18.09 38.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 74.14 110.904 -178.238 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.509 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 33.0 t 64.66 29.82 12.79 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.908 -0.587 . . . . 74.21 111.617 176.131 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -89.7 148.42 23.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.077 -0.389 . . . . 75.54 110.339 178.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.17 170.35 14.83 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.477 -0.329 . . . . 32.14 110.388 -178.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -59.97 -43.56 95.01 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.032 0.444 . . . . 70.43 110.882 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.64 ' O ' ' HD3' ' A' ' 77' ' ' ARG . 14.8 m -60.02 -25.58 65.41 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.136 -0.484 . . . . 64.34 110.749 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.2 m -86.79 -53.42 4.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.311 0.577 . . . . 62.44 110.781 175.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.65 -41.77 99.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.378 -0.828 . . . . 54.54 112.437 -173.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.423 ' HB2' HH11 ' A' ' 77' ' ' ARG . 0.9 OUTLIER -58.77 -34.22 71.19 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.884 0.474 . . . . 70.5 111.263 -179.074 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.64 ' HD3' ' O ' ' A' ' 73' ' ' SER . 10.3 mpt_? -77.72 -30.25 51.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.857 0.361 . . . . 74.1 110.408 -178.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.578 ' O ' HG22 ' A' ' 81' ' ' THR . 56.9 t30 -73.83 -43.99 57.04 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.338 -0.392 . . . . 53.43 110.0 176.062 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.8 mt -59.4 -32.41 70.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 73.31 110.486 176.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.468 ' O ' HG13 ' A' ' 84' ' ' ILE . 73.3 m -59.79 -26.6 65.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.994 -0.548 . . . . 75.21 112.237 177.19 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 78' ' ' ASN . 1.3 t -71.27 -36.57 71.77 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.842 -0.429 . . . . 75.51 109.842 -178.593 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 96.7 mt -75.98 -32.51 23.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 121.037 0.446 . . . . 73.52 109.861 174.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -57.2 -37.02 71.56 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.696 -0.684 . . . . 72.04 110.721 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 80' ' ' SER . 67.0 mt -58.86 -41.14 81.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.787 0.327 . . . . 62.5 110.627 178.039 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.498 ' HB2' ' CG2' ' A' ' 14' ' ' VAL . 65.8 t80 -69.7 -48.3 60.1 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.775 -0.454 . . . . 72.43 109.775 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.624 ' O ' HG13 ' A' ' 90' ' ' ILE . 80.0 t -60.01 -49.72 82.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.516 -0.765 . . . . 64.31 110.676 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.513 ' HA ' HD12 ' A' ' 90' ' ' ILE . 2.7 m -62.42 -38.13 88.5 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.559 -0.746 . . . . 54.2 111.632 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.37 -37.04 85.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.231 0.539 . . . . 71.44 110.034 175.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.74 -23.63 64.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.64 -0.709 . . . . 75.21 111.266 177.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.624 HG13 ' O ' ' A' ' 86' ' ' VAL . 62.6 mt -79.66 -38.93 19.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.094 0.473 . . . . 62.23 110.143 176.064 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -77.39 -45.12 26.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.87 -0.604 . . . . 73.34 111.299 -175.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -141.0 31.46 1.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.961 0.41 . . . . 52.11 111.829 -174.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -120.69 -97.43 1.58 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.385 -0.912 . . . . 74.11 112.73 -179.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -148.34 -32.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.603 0.239 . . . . 64.33 110.926 -176.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.438 ' HB2' ' HA ' ' A' ' 90' ' ' ILE . 98.8 mmm -53.0 131.38 36.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.951 -0.568 . . . . 55.23 111.35 -177.354 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -78.13 -46.39 20.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.744 -0.662 . . . . 75.15 110.215 -176.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -141.29 172.51 12.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.037 -0.529 . . . . 75.13 110.082 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.456 ' OD2' ' HG2' ' A' ' 101' ' ' LYS . 4.1 p-10 -85.71 144.18 39.35 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.86 -0.609 . . . . 73.21 110.66 178.286 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.01 -4.72 15.2 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.805 2.337 . . . . 65.51 113.786 -173.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.606 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 52.8 p90 -102.6 -0.25 32.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.63 0.729 . . . . 72.35 111.35 -178.115 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.93 ' HA ' ' HE2' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -55.98 -44.74 78.86 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.8 -1.091 . . . . 73.43 110.732 175.306 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -106.66 17.67 22.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.7 0.762 . . . . 65.03 109.904 -177.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.606 ' HB2' ' HA ' ' A' ' 100' ' ' PHE . 20.6 t80 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 115.157 -0.929 . . . . 73.24 111.759 -175.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.566 ' HB3' ' CB ' ' A' ' 12' ' ' ASP . 3.7 m-85 . . . . . 0 N--CA 1.443 -0.824 0 N-CA-C 109.19 -0.67 . . . . 72.42 109.19 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.548 ' HB2' ' NZ ' ' A' ' 8' ' ' LYS . 9.8 mtmp? -89.92 -28.28 19.28 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.315 -0.402 . . . . 73.34 111.18 -177.611 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.545 ' HA ' ' HA2' ' A' ' 46' ' ' GLY . 11.2 m -144.1 175.69 9.86 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.9 0.381 . . . . 62.23 111.827 -166.257 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.657 ' HE1' ' H ' ' A' ' 44' ' ' CYS . 47.4 p90 -59.12 -38.32 79.32 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.787 -0.642 . . . . 63.11 111.554 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -64.85 -24.49 67.56 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 120.797 -0.361 . . . . 70.14 110.423 -178.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.566 ' CB ' ' HB3' ' A' ' 7' ' ' PHE . 23.5 m-20 -80.27 -48.29 13.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.117 0.484 . . . . 64.44 110.361 176.583 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -62.44 -49.02 77.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.714 -0.676 . . . . 74.51 111.092 -178.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.5 t -64.94 -34.46 70.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.045 -0.525 . . . . 72.34 110.572 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.63 -41.19 98.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.562 0.22 . . . . 54.34 111.083 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -68.24 -44.58 75.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.357 -0.383 . . . . 54.52 110.444 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -62.35 -43.24 99.29 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.219 0.533 . . . . 74.12 110.209 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.525 ' HG3' ' HE1' ' A' ' 30' ' ' PHE . 34.2 tpp -61.08 -47.21 87.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.237 -0.892 . . . . 75.34 110.16 178.228 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -57.96 -38.25 75.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.347 -0.842 . . . . 54.33 110.668 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 84.9 m -60.16 -51.35 69.98 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.177 -0.465 . . . . 62.11 112.058 -176.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.448 ' HE1' ' SD ' ' A' ' 18' ' ' MET . 4.2 p90 -84.22 -13.94 51.35 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.895 -0.503 . . . . 71.31 110.906 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.5 t -65.82 -11.55 47.26 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.083 -0.508 . . . . 65.12 111.462 177.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 23' ' ' ARG . 50.4 mtp180 -64.46 -22.06 66.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.963 0.411 . . . . 75.55 111.176 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -87.02 -41.51 13.81 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.091 -0.504 . . . . 63.2 111.36 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 2.4 pp -91.29 173.29 8.0 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 121.431 0.634 . . . . 73.21 111.916 -172.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -88.22 168.4 12.77 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.25 -0.887 . . . . 74.33 110.846 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.1 mm -66.79 -29.29 45.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.915 -0.584 . . . . 73.02 110.464 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.17 -51.73 48.57 Favored Glycine 0 CA--C 1.522 0.469 0 CA-C-N 116.036 -0.529 . . . . 42.34 113.494 -178.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.9 t -79.22 -36.52 39.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.796 0.331 . . . . 53.13 110.629 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.525 ' HE1' ' HG3' ' A' ' 18' ' ' MET . 37.6 t80 -54.34 -53.3 55.78 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.288 -0.414 . . . . 73.11 111.443 175.621 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.713 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 36.1 ptt180 -66.66 -25.54 66.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 73.05 111.129 -176.094 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -60.29 -34.68 74.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.325 -0.398 . . . . 75.35 111.043 -176.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -111.03 5.81 20.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.99 0.424 . . . . 75.33 110.693 177.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.713 ' HB3' ' HA ' ' A' ' 31' ' ' ARG . 79.6 tttt -96.3 -42.48 8.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.95 -0.568 . . . . 74.11 111.317 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.6 t -62.64 -29.51 70.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.472 -0.785 . . . . 75.34 112.22 -167.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 56.3 m -61.12 -62.44 1.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.87 0.367 . . . . 33.14 110.858 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 48.8 ttm -68.74 -28.9 67.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.857 -0.61 . . . . 74.23 110.982 -178.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.567 ' HG3' ' HE2' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -65.21 -44.23 88.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.273 -0.421 . . . . 71.31 110.958 -177.565 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -57.96 -67.31 0.35 Allowed 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.74 -0.664 . . . . 62.52 111.937 -177.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.54 ' HD1' ' HB3' ' A' ' 42' ' ' GLU . 7.9 t80 -71.85 -22.24 61.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.971 -0.558 . . . . 75.24 111.197 -176.314 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.5 pttt 46.72 35.35 3.03 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.093 0.957 . . . . 71.23 111.718 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.54 ' HB3' ' HD1' ' A' ' 40' ' ' PHE . 6.0 pt-20 -64.29 152.04 42.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.274 -0.876 . . . . 73.1 112.213 -175.257 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -155.21 139.02 16.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.581 -0.736 . . . . 63.13 110.753 -176.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.657 ' H ' ' HE1' ' A' ' 10' ' ' PHE . 48.2 t -98.41 60.79 1.38 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.089 -0.708 . . . . 71.34 109.089 174.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 68.65 -70.35 0.13 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.403 -0.817 . . . . 71.01 111.115 -176.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.545 ' HA2' ' HA ' ' A' ' 9' ' ' SER . . . -140.26 -130.33 2.64 Favored Glycine 0 N--CA 1.442 -0.955 0 N-CA-C 110.996 -0.842 . . . . 42.14 110.996 177.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.612 ' HG ' ' HB3' ' A' ' 10' ' ' PHE . 2.5 tm? -176.35 112.34 0.1 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.67 0.748 . . . . 72.42 111.097 170.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.427 ' H ' ' HB2' ' A' ' 51' ' ' GLU . 1.7 mp0 -126.55 -177.6 4.06 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 114.356 -1.293 . . . . 74.01 108.061 176.062 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -66.25 -34.58 78.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.139 0.495 . . . . 72.33 110.61 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.9 p-80 -73.48 -8.03 54.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.941 -0.572 . . . . 74.04 111.47 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.427 ' HB2' ' H ' ' A' ' 48' ' ' GLN . 30.1 mt-10 -110.25 6.17 22.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.965 0.412 . . . . 64.4 111.017 -178.563 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.608 HD23 HD21 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -128.62 87.19 2.55 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.023 -0.732 . . . . 74.41 109.023 178.011 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.461 ' O ' HD23 ' A' ' 57' ' ' LEU . 38.7 p -132.19 179.66 5.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.088 -0.506 . . . . 74.41 111.178 -174.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.529 ' CG ' ' HA ' ' A' ' 103' ' ' PHE . 6.7 tm-20 -57.9 -45.99 85.61 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.698 -0.482 . . . . 73.42 109.698 172.382 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.91 -36.44 79.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.683 -0.69 . . . . 54.33 110.662 -178.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.516 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 87.9 t80 -63.16 -51.42 66.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 61.25 110.336 176.618 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 53' ' ' THR . 4.3 mm? -61.28 -40.44 94.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.266 -0.424 . . . . 72.22 110.912 178.749 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -60.13 -53.72 54.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.603 -0.726 . . . . 74.22 110.998 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.77 -38.08 88.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 71.52 111.046 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.516 ' HB2' ' O ' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -71.3 -28.75 64.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.913 -0.585 . . . . 74.33 111.19 -176.467 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.7 tp -64.95 -48.15 75.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.173 0.511 . . . . 55.3 109.961 173.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.6 mm -59.4 -50.06 81.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.469 -0.787 . . . . 72.24 109.8 175.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -55.38 -38.31 68.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.449 -0.796 . . . . 74.05 111.17 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.6 ' HG2' ' CB ' ' A' ' 75' ' ' ALA . 22.1 tpp -62.76 -47.89 81.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.902 -0.59 . . . . 75.23 111.569 -178.677 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 12.5 tmtt? -83.03 -42.79 17.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.7 -0.682 . . . . 71.22 110.479 -174.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -73.9 -61.13 1.95 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.637 -0.711 . . . . 74.14 111.368 -176.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.3 m -80.35 -47.7 14.08 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.306 0.484 . . . . 73.04 112.306 -173.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.435 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 1.8 tt -80.24 -88.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.741 -0.384 . . . . 62.45 111.15 -171.53 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.435 ' SG ' ' O ' ' A' ' 68' ' ' LEU . 63.3 m -174.89 -49.09 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.134 0.492 . . . . 73.11 111.005 -171.108 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.695 ' HB3' ' HB ' ' A' ' 74' ' ' THR . 20.7 m-80 -61.05 140.11 57.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.985 -1.007 . . . . 75.24 112.619 -166.234 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.56 -177.81 6.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.175 -0.92 . . . . 64.31 109.577 174.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -50.01 -57.36 7.75 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.885 0.374 . . . . 72.51 111.483 -175.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.403 ' O ' ' HB2' ' A' ' 76' ' ' GLN . 17.9 m -57.42 -46.32 83.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.793 -0.639 . . . . 62.02 111.529 -176.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.695 ' HB ' ' HB3' ' A' ' 70' ' ' ASN . 1.4 m -71.34 -35.35 71.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.906 0.384 . . . . 54.32 110.819 -178.03 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.6 ' CB ' ' HG2' ' A' ' 64' ' ' MET . . . -59.27 -38.93 81.36 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.991 -0.55 . . . . 63.1 110.131 176.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 73' ' ' SER . 29.6 mm-40 -58.39 -35.01 71.36 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.377 -0.829 . . . . 64.44 110.971 178.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -70.71 -46.0 63.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 74.44 111.079 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -70.14 -21.77 63.05 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.079 0.466 . . . . 74.32 110.775 -177.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 93.0 mt -86.79 -31.92 20.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.027 0.441 . . . . 63.12 110.547 174.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.578 ' O ' HG13 ' A' ' 84' ' ' ILE . 34.9 t -64.0 -33.87 76.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.037 -0.529 . . . . 70.14 111.137 -179.308 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.2 p -60.75 -48.69 80.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.049 0.452 . . . . 61.54 110.479 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.4 mt -63.0 -40.3 88.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.607 -0.724 . . . . 74.44 110.221 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 87' ' ' SER . 21.2 tttm -59.21 -35.49 73.7 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.719 -0.673 . . . . 62.4 111.346 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.578 HG13 ' O ' ' A' ' 80' ' ' SER . 76.6 mt -59.95 -39.84 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.951 0.405 . . . . 73.23 110.439 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -72.94 -43.94 61.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 75.12 110.153 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.626 HG13 ' SD ' ' A' ' 95' ' ' MET . 90.6 t -62.43 -51.78 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.882 -0.599 . . . . 74.52 111.015 178.491 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 1.3 m -57.53 -35.61 70.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.706 -0.679 . . . . 70.25 111.454 179.447 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.61 -33.7 64.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.427 . . . . 73.53 110.953 177.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.609 ' HB1' ' HB3' ' A' ' 94' ' ' TYR . . . -67.7 -25.81 65.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.134 -0.484 . . . . 33.34 111.2 179.482 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 86' ' ' VAL . 58.9 mt -71.13 -39.52 73.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.084 0.469 . . . . 61.42 109.916 176.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.495 ' O ' ' HD3' ' A' ' 91' ' ' LYS . 8.1 tmtt? -66.82 -38.11 85.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.755 -0.657 . . . . 63.1 109.3 176.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -68.05 -32.63 73.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.528 -0.76 . . . . 73.34 110.765 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.69 24.85 7.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.894 -0.67 . . . . 65.15 112.345 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.609 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 66.5 t80 -90.36 -46.28 8.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.005 0.431 . . . . 74.15 110.07 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.626 ' SD ' HG13 ' A' ' 86' ' ' VAL . 87.2 mtp -109.9 149.1 30.39 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.144 -0.48 . . . . 71.21 110.593 178.389 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -77.43 -35.39 54.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.779 -0.646 . . . . 73.12 111.719 -176.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -155.72 157.67 36.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.265 -0.425 . . . . 74.01 111.457 -174.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.59 144.21 93.77 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.381 -0.827 . . . . 53.5 110.578 174.397 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -64.89 -27.43 58.87 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.381 2.054 . . . . 65.42 110.499 171.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -60.91 -29.73 69.76 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.104 -0.953 . . . . 72.32 110.838 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -72.08 -45.44 60.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.163 -0.471 . . . . 71.11 111.039 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -83.7 -11.14 57.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.932 -0.576 . . . . 63.32 110.673 -176.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.529 ' HA ' ' CG ' ' A' ' 54' ' ' GLU . 38.4 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.54 -0.755 . . . . 64.21 110.913 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.447 -0.585 0 N-CA-C 109.611 -0.514 . . . . 61.11 109.611 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -78.13 -25.99 47.65 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.328 -0.396 . . . . 71.13 111.43 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.8 p -157.85 -173.44 4.37 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.077 0.465 . . . . 52.44 111.484 -174.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.435 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.5 p90 -57.84 -40.63 80.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.263 -0.881 . . . . 74.22 111.771 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -73.69 -23.36 59.8 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 120.699 -0.4 . . . . 74.35 111.286 -174.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.79 -41.8 51.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.95 0.405 . . . . 64.22 110.334 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.593 ' CD1' ' HB2' ' A' ' 85' ' ' TYR . 24.4 t80 -62.83 -42.73 99.85 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.417 -0.586 . . . . 74.12 109.417 177.396 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.466 ' O ' ' HB2' ' A' ' 18' ' ' MET . 54.3 t -56.83 -55.34 20.52 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.304 0 CA-C-N 115.198 -0.91 . . . . 73.5 111.184 177.115 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.06 -28.99 63.05 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.143 0.423 . . . . 45.43 112.143 -175.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.3 t -78.92 -45.19 21.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.717 -0.22 . . . . 74.11 111.238 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -77.44 -40.32 43.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.228 0.537 . . . . 74.11 110.422 -177.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.595 ' HB3' ' HE1' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -62.67 -28.34 69.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.385 -0.825 . . . . 73.24 111.474 178.248 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -49.83 -32.71 14.84 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.929 -0.578 . . . . 72.13 110.972 175.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.5 m -57.7 -56.07 26.67 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.294 -0.412 . . . . 55.03 112.089 -178.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.599 ' HE2' HD22 ' A' ' 25' ' ' LEU . 31.1 p90 -89.79 -7.06 55.25 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 121.041 -0.264 . . . . 71.23 111.12 -176.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.4 t -58.3 -21.02 47.46 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.488 -0.324 . . . . 72.44 111.468 176.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -68.23 -23.16 64.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.055 0.455 . . . . 70.11 110.833 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -112.81 13.29 19.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.964 -0.562 . . . . 71.23 110.422 -174.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.599 HD22 ' HE2' ' A' ' 21' ' ' TYR . 16.2 tp -127.94 139.91 52.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.83 -0.623 . . . . 70.45 109.703 -179.125 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -65.03 142.54 58.38 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.205 -0.452 . . . . 65.52 110.773 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.5 mm -61.03 -35.61 66.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.768 -0.651 . . . . 64.43 110.196 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.29 -47.76 79.87 Favored Glycine 0 CA--C 1.519 0.317 0 CA-C-N 115.826 -0.625 . . . . 50.43 112.685 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.496 HG23 ' HG ' ' A' ' 25' ' ' LEU . 8.8 t -79.44 -43.14 23.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.579 -0.365 . . . . 75.3 110.869 -178.663 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.595 ' HE1' ' HB3' ' A' ' 18' ' ' MET . 83.4 t80 -54.71 -44.31 73.36 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.821 0.344 . . . . 75.41 111.921 177.598 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.437 ' HB2' ' OG ' ' A' ' 35' ' ' SER . 22.2 ptt180 -69.59 -19.21 63.66 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.658 0.244 . . . . 65.23 111.658 -175.145 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -56.94 -24.01 49.68 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.819 0.342 . . . . 72.01 110.964 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -104.83 -60.86 1.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.19 -0.459 . . . . 75.11 109.78 176.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -51.05 -54.37 25.36 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.303 -0.862 . . . . 74.42 112.782 -175.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.437 ' OG ' ' HB2' ' A' ' 31' ' ' ARG . 27.3 m -74.82 -23.68 58.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.66 0.267 . . . . 51.43 111.548 -173.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 39' ' ' LYS . 69.5 m -80.39 -45.43 17.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.914 0.388 . . . . 50.1 111.544 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 81.8 mtp -61.79 -27.12 68.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.107 -0.497 . . . . 65.54 111.282 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -78.94 -26.15 43.6 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.054 0.39 . . . . 74.2 112.054 176.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.983 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -52.7 -63.05 1.27 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 114.323 1.231 . . . . 73.11 114.323 -169.68 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -46.56 -51.07 16.36 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.881 0.738 . . . . 72.14 111.587 -173.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.0 tttm 48.11 94.43 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.824 1.046 . . . . 72.23 113.824 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -90.0 -85.23 0.22 Allowed 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.812 -0.555 . . . . 73.3 110.105 170.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -116.45 15.24 15.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.186 -0.461 . . . . 72.3 109.978 176.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 66.3 m 72.58 -0.38 3.33 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.142 -0.935 . . . . 74.34 110.416 -173.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.23 150.99 20.92 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.919 -1.141 . . . . 63.33 107.919 175.459 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 175.55 98.83 0.11 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.27 -0.967 . . . . 55.41 113.202 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.618 HD11 HD23 ' A' ' 52' ' ' LEU . 3.0 tm? 74.61 127.34 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.62 0.724 . . . . 44.45 111.735 171.553 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.49 -174.55 2.48 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.623 -0.717 . . . . 63.41 109.928 177.426 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -82.88 -23.5 33.59 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 113.441 0.904 . . . . 63.33 113.441 -168.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -89.39 -27.94 20.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.311 0.577 . . . . 72.32 110.534 -178.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -87.36 -3.04 59.02 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.365 -0.834 . . . . 74.11 110.781 177.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.618 HD23 HD11 ' A' ' 47' ' ' LEU . 3.2 tm? -81.81 105.94 13.34 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.081 -0.711 . . . . 74.13 109.081 175.608 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.493 ' O ' HD23 ' A' ' 57' ' ' LEU . 77.9 p -135.04 174.02 11.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.98 -0.554 . . . . 72.11 110.466 -178.038 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.597 ' HG2' ' HD1' ' A' ' 103' ' ' PHE . 9.2 tm-20 -57.74 -38.74 75.87 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.22 -0.659 . . . . 74.35 109.22 171.193 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.85 -41.94 88.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.491 -0.777 . . . . 72.2 110.647 176.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.485 ' CE2' ' HG ' ' A' ' 47' ' ' LEU . 71.0 t80 -66.67 -44.66 81.24 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.877 -0.329 . . . . 72.42 110.653 179.371 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.545 HD13 HD22 ' A' ' 79' ' ' LEU . 4.3 mm? -54.59 -42.22 70.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.227 0.537 . . . . 70.0 110.101 176.232 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.448 ' HD3' ' N ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -66.86 -43.49 83.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.445 -0.798 . . . . 74.31 111.387 176.358 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.448 ' N ' ' HD3' ' A' ' 58' ' ' ARG . 31.4 t70 -69.04 -42.77 75.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.85 0.357 . . . . 71.33 111.169 -177.05 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -66.73 -32.57 73.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.297 -0.411 . . . . 74.42 109.932 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 50.3 tp -59.2 -49.68 76.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.901 -0.59 . . . . 62.51 110.204 173.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.97 -46.7 95.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.685 -0.688 . . . . 75.53 110.715 177.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -57.56 -37.79 73.72 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.018 -0.537 . . . . 73.22 110.601 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.735 ' HG2' ' HB2' ' A' ' 75' ' ' ALA . 8.4 tpp -62.2 -42.86 99.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.696 -0.684 . . . . 71.44 110.791 178.699 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -78.82 -41.0 31.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.94 -0.573 . . . . 71.51 110.543 -177.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -74.47 -65.04 0.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.993 -0.549 . . . . 74.03 111.561 -176.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.5 m -80.99 -49.84 10.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.247 -0.433 . . . . 71.32 111.778 -174.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 64' ' ' MET . 87.1 mt -77.75 -14.47 59.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.649 -0.25 . . . . 74.13 111.36 -174.258 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 60.6 m 65.15 27.69 12.32 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.645 0.59 . . . . 70.51 111.946 174.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -104.86 151.14 24.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.203 0.525 . . . . 73.54 111.198 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.41 165.97 23.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.454 -0.794 . . . . 73.24 111.708 -176.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -56.33 -39.01 72.12 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.692 -0.685 . . . . 74.01 111.179 -178.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.1 m -59.66 -41.0 89.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.766 0.317 . . . . 33.41 111.139 -178.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.3 m -72.99 -42.14 63.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.017 0.437 . . . . 60.24 110.211 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.735 ' HB2' ' HG2' ' A' ' 64' ' ' MET . . . -61.53 -47.61 84.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.879 -0.6 . . . . 72.13 111.262 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -57.79 -39.58 77.85 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.974 -0.557 . . . . 62.23 111.35 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -70.41 -38.97 74.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.202 -0.454 . . . . 71.12 111.234 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.407 ' O ' HG13 ' A' ' 82' ' ' ILE . 96.0 m-20 -65.57 -38.91 90.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.036 0.446 . . . . 61.13 110.314 176.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.596 HD23 HD12 ' A' ' 82' ' ' ILE . 98.3 mt -68.93 -33.14 73.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.749 -0.66 . . . . 75.45 110.369 177.093 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.581 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 16.0 t -62.79 -33.33 74.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.043 -0.526 . . . . 75.53 111.178 178.228 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.57 -27.27 58.52 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.777 -0.369 . . . . 74.31 110.92 175.247 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.596 HD12 HD23 ' A' ' 79' ' ' LEU . 60.9 mt -66.56 -46.39 86.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 73.11 111.044 178.332 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' A' ' 80' ' ' SER . 3.2 pptp? -59.06 -28.76 66.77 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.741 -0.208 . . . . 74.54 111.137 179.438 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.8 mm -61.05 -52.96 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 121.071 -0.252 . . . . 62.31 111.247 177.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.593 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 1.9 p90 -73.52 -32.95 64.52 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 120.584 -0.446 . . . . 74.23 110.472 -176.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.547 ' O ' HG13 ' A' ' 90' ' ' ILE . 73.2 t -64.19 -48.86 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.68 -0.489 . . . . 63.22 109.68 175.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 1.7 m -58.01 -38.6 76.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.594 -0.73 . . . . 75.21 111.169 176.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.5 -33.79 76.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.036 0.446 . . . . 63.21 111.198 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.54 -28.17 58.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.312 -0.404 . . . . 51.3 110.912 177.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.601 HG12 ' HB3' ' A' ' 95' ' ' MET . 75.5 mt -70.18 -41.63 78.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.469 -0.332 . . . . 72.41 111.058 -179.303 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -65.75 -34.5 78.34 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.842 -0.343 . . . . 72.43 111.074 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -89.59 -1.12 57.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.197 0.522 . . . . 74.03 110.932 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.03 17.84 73.61 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.83 -0.623 . . . . 71.23 113.912 172.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -83.05 -29.6 28.69 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.601 -0.889 . . . . 72.32 108.601 175.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.601 ' HB3' HG12 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -111.2 124.45 52.24 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 107.884 -1.154 . . . . 72.11 107.884 172.018 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -81.85 -37.18 27.36 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 113.404 0.89 . . . . 74.31 113.404 -168.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -139.3 147.42 41.59 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.45 -0.5 . . . . 74.23 111.22 -170.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.13 139.32 65.0 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 116.003 -0.544 . . . . 70.53 111.297 -178.374 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -96.08 -23.94 0.13 Allowed 'Trans proline' 0 N--CA 1.448 -1.191 0 C-N-CA 123.142 2.562 . . . . 72.12 111.889 170.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.721 ' HA ' ' HB3' ' A' ' 103' ' ' PHE . 98.0 m-85 -84.58 -15.25 46.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.995 -0.548 . . . . 74.33 110.84 -174.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.92 -38.49 91.15 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 109.325 -0.62 . . . . 71.5 109.325 175.011 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.7 -28.93 22.81 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 115.822 -0.626 . . . . 74.34 110.624 175.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.721 ' HB3' ' HA ' ' A' ' 100' ' ' PHE . 71.4 t80 . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 115.536 -0.756 . . . . 75.32 109.871 177.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.473 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 1.6 p90 . . . . . 0 N--CA 1.45 -0.466 0 CA-C-O 121.436 0.636 . . . . 72.24 111.551 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -94.69 -16.39 23.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.118 -0.947 . . . . 74.14 109.678 172.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 m -102.33 145.47 29.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.044 -0.98 . . . . 74.24 111.515 -171.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.488 ' O ' HG23 ' A' ' 14' ' ' VAL . 35.2 p90 -55.33 -42.52 73.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.103 -0.499 . . . . 72.12 110.851 177.123 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -66.5 -32.51 73.92 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.585 -0.28 . . . . 75.45 111.629 -178.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.473 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 1.1 m-20 -80.49 -34.69 35.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.652 -0.249 . . . . 73.32 111.085 179.201 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.496 ' CD2' ' HD1' ' A' ' 85' ' ' TYR . 65.8 t80 -60.0 -49.3 78.2 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.705 -0.48 . . . . 75.35 109.705 174.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 10' ' ' PHE . 84.9 t -58.65 -45.09 90.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.818 -0.628 . . . . 50.24 110.668 178.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.35 97.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.412 -0.358 . . . . 54.13 111.421 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.87 -44.32 73.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 120.757 0.313 . . . . 75.25 110.852 -179.263 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -64.82 -34.43 78.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.518 0.675 . . . . 75.22 109.801 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.483 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 30.4 ttm -71.19 -26.75 63.09 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.184 -0.916 . . . . 51.23 111.231 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -50.87 -48.7 60.17 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.72 0.295 . . . . 73.23 111.414 175.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.9 m -69.67 -33.63 72.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.37 0.605 . . . . 43.0 110.24 177.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.483 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 80.3 t80 -66.96 -30.58 70.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.6 -0.727 . . . . 75.31 110.493 177.213 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.533 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 31.9 t -71.15 -14.48 62.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.789 -0.641 . . . . 75.32 111.158 -178.541 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -63.02 -31.8 73.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.329 0.585 . . . . 71.34 109.543 173.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -105.78 13.32 29.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.467 -0.788 . . . . 70.24 110.141 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.657 ' HG ' HG23 ' A' ' 29' ' ' THR . 13.7 tp -124.75 142.51 51.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.169 -0.469 . . . . 62.51 110.061 -176.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.53 154.97 41.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.78 0.324 . . . . 73.44 110.287 173.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.7 mt -65.88 -34.53 70.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.895 -0.593 . . . . 74.42 110.183 178.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.3 -58.82 12.38 Favored Glycine 0 CA--C 1.518 0.27 0 CA-C-N 115.836 -0.62 . . . . 52.33 112.594 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.657 HG23 ' HG ' ' A' ' 25' ' ' LEU . 1.8 t -66.0 -42.5 89.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.474 0.137 . . . . 55.13 111.011 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -51.5 -53.14 40.64 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 111.633 0.235 . . . . 72.21 111.633 176.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.913 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 36.2 ptt180 -71.48 -20.57 62.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.45 0.167 . . . . 73.44 111.301 -175.671 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -66.68 -24.71 66.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.156 0.503 . . . . 55.33 110.345 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -132.36 39.52 3.38 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.994 -0.743 . . . . 65.21 108.994 176.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.913 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 78.1 tttt -72.42 -69.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.798 -1.092 . . . . 52.43 111.399 -175.619 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.9 p -93.28 -71.87 0.63 Allowed 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 120.929 -0.308 . . . . 70.41 111.04 -177.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 61.2 m 44.81 -86.78 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.868 0.867 . . . . 73.45 112.818 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 22.8 ptt? -70.96 -26.59 63.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 63.14 111.15 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -75.43 -29.66 59.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.934 0.873 . . . . 74.3 109.635 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -36.35 24.31 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.276 -1.329 . . . . 51.41 111.416 -179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.513 ' HZ ' ' HE1' ' A' ' 63' ' ' TYR . 14.7 t80 -73.18 -28.67 62.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.117 -0.492 . . . . 74.23 109.952 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.494 ' HD2' ' O ' ' A' ' 40' ' ' PHE . 5.2 mptp? -139.23 100.21 3.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.84 -0.618 . . . . 75.33 110.709 -178.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -64.88 -68.19 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.619 0.723 . . . . 73.05 109.328 175.063 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -123.6 126.08 45.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.0 -1.0 . . . . 70.51 108.937 176.112 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.9 p -146.35 -85.92 0.11 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.414 -0.357 . . . . 64.44 111.087 -172.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.462 ' HB2' ' H ' ' A' ' 46' ' ' GLY . 1.5 pm0 43.29 -153.94 0.02 OUTLIER 'General case' 0 C--N 1.346 0.44 0 C-N-CA 123.513 0.725 . . . . 72.23 112.559 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.462 ' H ' ' HB2' ' A' ' 45' ' ' GLU . . . 92.04 -13.44 66.96 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.465 -0.874 . . . . 52.14 111.603 -177.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.446 ' C ' HD22 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -87.29 156.22 19.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.909 0.385 . . . . 61.04 110.21 176.303 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -110.72 -178.97 3.62 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.728 -0.669 . . . . 74.11 111.641 -173.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.423 ' H ' ' HD1' ' A' ' 49' ' ' PHE . 11.0 p90 -67.55 -53.23 30.16 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.001 -1.0 . . . . 73.31 111.414 -175.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -85.99 3.06 43.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.414 0.625 . . . . 72.34 109.72 -176.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -81.34 -31.06 33.61 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.914 -0.772 . . . . 74.32 108.914 173.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.614 HD12 ' HG3' ' A' ' 99' ' ' PRO . 0.2 OUTLIER -74.15 85.48 1.86 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.442 -0.799 . . . . 71.44 109.077 177.282 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.438 ' O ' HD23 ' A' ' 57' ' ' LEU . 6.1 p -133.71 -177.46 4.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.757 -0.656 . . . . 53.22 111.354 -174.083 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -52.66 -43.74 65.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.021 -0.536 . . . . 75.41 110.637 177.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -56.96 -39.05 73.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.84 -0.618 . . . . 64.05 111.247 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -69.98 -51.83 29.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 74.42 110.681 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 53' ' ' THR . 4.3 mm? -59.49 -37.01 77.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.961 -0.563 . . . . 74.11 110.55 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.468 ' O ' HG12 ' A' ' 62' ' ' ILE . 24.6 ttt180 -58.82 -52.71 64.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.489 -0.778 . . . . 74.34 110.582 178.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -71.08 -42.3 69.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 74.14 111.489 -176.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.457 ' HD2' HD21 ' A' ' 79' ' ' LEU . 61.3 t80 -64.92 -37.7 88.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.357 -0.383 . . . . 75.12 110.167 -178.127 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.5 tp -59.5 -52.8 64.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.883 -0.599 . . . . 73.21 110.061 175.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 58' ' ' ARG . 46.4 mm -59.03 -44.32 91.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.702 -0.681 . . . . 62.43 111.464 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.513 ' HE1' ' HZ ' ' A' ' 40' ' ' PHE . 45.0 t80 -60.57 -43.49 97.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.31 0.576 . . . . 71.51 110.467 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.546 ' HG3' HD12 ' A' ' 68' ' ' LEU . 9.2 ttp -69.15 -42.21 76.25 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.464 -0.789 . . . . 72.44 111.331 -177.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.749 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -75.85 -15.79 60.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.459 -0.337 . . . . 71.44 111.876 -177.061 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -99.15 -63.41 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.071 0.463 . . . . 51.43 111.26 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.3 m -75.66 -43.4 47.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.839 -0.618 . . . . 75.14 112.082 -172.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.546 HD12 ' HG3' ' A' ' 64' ' ' MET . 66.1 mt -78.41 0.24 26.5 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.943 -0.303 . . . . 73.11 111.467 -175.281 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 58.2 m 62.18 28.3 16.99 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.956 -0.565 . . . . 61.01 112.221 171.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.749 ' O ' ' HA ' ' A' ' 65' ' ' LYS . 37.6 m-80 -121.43 151.36 40.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.834 -0.432 . . . . 53.43 109.834 175.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.26 166.67 21.15 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.744 0.307 . . . . 72.43 110.909 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -58.47 -35.07 71.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.073 -0.512 . . . . 64.13 111.184 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.8 m -56.49 -38.45 71.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.854 0.359 . . . . 44.22 110.822 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.7 m -80.42 -43.33 21.14 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.151 0.501 . . . . 61.44 110.198 177.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.78 -35.86 75.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.498 -0.774 . . . . 65.12 111.882 -177.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -60.97 -32.96 72.49 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.405 -0.361 . . . . 63.43 111.429 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -68.14 -38.7 82.45 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.237 -0.282 . . . . 74.02 110.237 176.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -70.43 -24.49 62.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.356 0.598 . . . . 72.52 109.891 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.457 HD21 ' HD2' ' A' ' 60' ' ' TYR . 87.5 mt -81.49 -33.27 32.03 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.168 0.509 . . . . 52.53 110.307 175.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.8 m -68.37 -23.35 64.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.811 -0.631 . . . . 52.34 111.907 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.8 p -73.46 -37.12 65.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.013 0.435 . . . . 65.14 110.277 175.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.36 -32.39 57.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.971 -0.558 . . . . 71.31 109.713 174.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 87' ' ' SER . 2.2 tmtp? -61.2 -30.78 70.63 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 115.885 -0.598 . . . . 74.44 110.348 177.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 51.4 mm -65.64 -38.38 82.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 120.863 0.363 . . . . 71.41 110.171 176.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.496 ' HD1' ' CD2' ' A' ' 13' ' ' PHE . 68.4 t80 -68.84 -49.78 55.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 74.11 110.185 177.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.622 ' O ' HG13 ' A' ' 90' ' ' ILE . 86.7 t -60.19 -46.1 95.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.578 -0.737 . . . . 73.03 110.923 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.622 ' HA ' HD12 ' A' ' 90' ' ' ILE . 0.4 OUTLIER -59.75 -39.27 84.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.088 -0.505 . . . . 75.02 111.743 -179.74 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.87 92.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.279 0.561 . . . . 74.34 110.144 176.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.583 ' HA ' ' HA3' ' A' ' 93' ' ' GLY . . . -71.08 -21.89 62.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.325 -0.852 . . . . 61.43 111.391 178.107 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 87' ' ' SER . 97.4 mt -73.51 -41.92 56.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.522 -0.308 . . . . 74.02 111.127 178.27 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -72.61 -47.58 46.63 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 120.729 -0.388 . . . . 74.53 110.774 -175.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -153.64 67.45 0.76 Allowed 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 123.527 0.517 . . . . 72.23 110.193 177.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.583 ' HA3' ' HA ' ' A' ' 89' ' ' ALA . . . -138.11 -83.98 0.12 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.52 -0.848 . . . . 73.22 112.538 177.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -169.28 -16.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.046 0.45 . . . . 75.11 110.715 -173.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 99.3 mmm -82.3 137.98 34.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.926 -0.579 . . . . 70.33 110.955 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -78.58 -48.94 14.17 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.799 -0.637 . . . . 73.22 109.344 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -148.56 178.15 8.87 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.622 -0.881 . . . . 63.41 108.622 175.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.438 ' HB3' HD11 ' A' ' 90' ' ' ILE . 6.3 p-10 -89.82 146.52 35.53 Favored Pre-proline 0 N--CA 1.441 -0.883 0 N-CA-C 110.003 -0.369 . . . . 75.14 110.003 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.614 ' HG3' HD12 ' A' ' 52' ' ' LEU . 35.8 Cg_endo -65.05 -18.25 61.4 Favored 'Trans proline' 0 N--CA 1.467 -0.085 0 C-N-CA 122.649 2.233 . . . . 74.11 111.874 177.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.453 ' HZ ' ' HB3' ' A' ' 79' ' ' LEU . 76.1 m-85 -76.4 -18.86 58.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.0 -0.545 . . . . 75.15 110.673 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.519 ' HD2' ' C ' ' A' ' 101' ' ' LYS . 0.6 OUTLIER -68.64 -36.98 79.31 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 121.739 0.781 . . . . 73.24 108.997 175.805 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -103.81 6.58 36.75 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.179 -0.919 . . . . 74.25 110.173 -175.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 30.1 t80 . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.431 -0.804 . . . . 73.41 109.862 -177.981 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 . . . . . 0 N--CA 1.437 -1.091 0 N-CA-C 107.865 -1.161 . . . . 64.22 107.865 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -22.86 66.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.938 0.399 . . . . 70.4 111.746 -176.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.7 t -140.3 152.39 45.82 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.19 -0.459 . . . . 50.51 110.357 175.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.613 ' O ' HG23 ' A' ' 14' ' ' VAL . 92.3 m-85 -65.84 -28.4 68.95 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 109.546 -0.538 . . . . 73.31 109.546 175.178 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -56.78 -39.64 74.46 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.917 -0.583 . . . . 72.21 110.277 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.92 -38.07 79.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.442 -0.799 . . . . 64.35 110.897 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -70.23 -45.44 66.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.947 -0.57 . . . . 62.14 110.215 177.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 10' ' ' PHE . 96.0 t -60.28 -46.96 94.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.023 -0.535 . . . . 71.43 110.778 178.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.535 ' HA ' ' HB3' ' A' ' 18' ' ' MET . . . -56.66 -33.31 66.24 Favored 'General case' 0 C--N 1.332 -0.169 0 O-C-N 123.416 0.448 . . . . 71.22 111.8 -177.029 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 t -61.23 -46.12 91.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.849 0.357 . . . . 74.43 110.556 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -77.94 -38.45 45.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.124 0.487 . . . . 52.14 110.271 176.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.592 ' SD ' ' HE1' ' A' ' 21' ' ' TYR . 52.4 tpp -57.33 -42.61 82.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.296 -0.865 . . . . 71.21 112.092 -175.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.583 ' HD2' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -62.11 -21.41 64.97 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 111.787 0.291 . . . . 71.54 111.787 -175.622 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.5 m -58.48 -60.24 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.61 -0.268 . . . . 71.33 111.171 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.592 ' HE1' ' SD ' ' A' ' 18' ' ' MET . 1.4 p90 -83.08 -26.23 31.27 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 120.771 -0.372 . . . . 75.14 110.464 -178.058 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.618 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 49.3 m -68.84 -18.05 64.1 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.01 0.433 . . . . 74.43 111.009 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 19' ' ' LYS . 2.5 tmt_? -64.42 -25.34 67.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.888 -0.597 . . . . 72.21 109.441 176.304 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -105.77 21.88 16.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.022 -0.535 . . . . 63.3 110.659 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.618 ' HG ' ' HA ' ' A' ' 22' ' ' SER . 66.5 mt -103.16 165.73 10.85 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 109.673 -0.492 . . . . 62.31 109.673 175.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -80.76 165.78 21.6 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.001 -0.545 . . . . 73.45 109.978 172.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.3 mm -59.18 -43.4 89.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.008 -0.542 . . . . 62.21 110.445 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.31 -35.03 91.01 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.9 -0.667 . . . . 51.24 112.415 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.55 HG22 HD13 ' A' ' 25' ' ' LEU . 33.9 m -76.02 -46.38 29.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.785 0.326 . . . . 61.43 110.874 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.454 ' CD1' ' HE2' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -57.85 -49.24 77.35 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.945 -0.391 . . . . 54.24 109.945 176.058 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.629 ' HA ' ' CG ' ' A' ' 34' ' ' LYS . 46.4 ttt180 -67.62 -21.37 65.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.129 -0.487 . . . . 72.33 111.472 -178.208 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -59.85 -23.07 63.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.034 -0.53 . . . . 75.15 111.077 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -132.16 39.84 3.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.202 0.525 . . . . 73.43 110.698 177.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.629 ' CG ' ' HA ' ' A' ' 31' ' ' ARG . 42.8 mmtt -93.02 -71.02 0.67 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.81 -0.632 . . . . 72.31 111.181 176.405 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.3 m -72.0 -20.75 61.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.735 -0.666 . . . . 75.42 112.129 -171.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.2 m -54.15 -58.45 7.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.799 0.333 . . . . 71.14 111.444 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 83.8 mtp -67.57 -25.45 65.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.973 0.416 . . . . 43.54 110.964 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.18 -43.86 73.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.904 -0.589 . . . . 74.21 111.423 -174.102 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -81.47 -13.25 58.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.451 -0.34 . . . . 74.12 111.725 -175.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -81.01 4.14 20.68 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.14 0.422 . . . . 72.14 112.14 -176.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.578 ' C ' ' HD3' ' A' ' 41' ' ' LYS . 10.6 tmtt? -88.66 93.64 9.63 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.566 0.698 . . . . 75.11 110.032 -178.486 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -97.72 -64.9 1.0 Allowed 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.895 -1.048 . . . . 75.25 108.641 164.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -138.19 112.3 8.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.544 -0.753 . . . . 74.11 110.977 178.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.6 p -91.62 79.5 5.45 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.21 -0.663 . . . . 73.31 109.21 172.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -70.43 178.83 2.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.901 -1.045 . . . . 71.45 111.073 -172.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -74.48 84.94 0.74 Allowed Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 116.142 -0.481 . . . . 74.22 112.146 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.577 HD21 ' HB2' ' A' ' 52' ' ' LEU . 9.8 tt -85.45 108.86 18.08 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.431 -0.385 . . . . 70.14 110.459 178.737 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.435 ' H ' ' HG3' ' A' ' 51' ' ' GLU . 2.5 mp0 -82.32 176.85 9.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 73.41 110.563 176.065 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -58.91 -40.5 84.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.932 -0.576 . . . . 63.44 111.835 -177.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -90.84 8.81 32.99 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.074 0.464 . . . . 72.24 110.808 -177.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.435 ' HG3' ' H ' ' A' ' 48' ' ' GLN . 7.8 mm-40 -89.98 -24.87 21.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.399 -0.593 . . . . 74.12 109.399 174.336 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.577 ' HB2' HD21 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -88.34 88.47 7.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.697 -0.853 . . . . 64.53 108.697 175.448 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.459 ' O ' HD23 ' A' ' 57' ' ' LEU . 72.7 p -124.07 177.25 5.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.328 -0.396 . . . . 63.13 111.239 -175.27 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.56 -37.14 82.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.976 -0.557 . . . . 73.45 109.658 173.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -60.89 -44.33 97.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.577 -0.738 . . . . 71.04 110.149 177.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -59.83 -51.54 69.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.885 -0.598 . . . . 73.43 110.561 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.547 HD13 HD22 ' A' ' 79' ' ' LEU . 4.2 mm? -58.23 -43.15 87.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.885 0.374 . . . . 72.34 110.875 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.451 ' O ' HG12 ' A' ' 62' ' ' ILE . 53.8 ttt180 -64.82 -49.86 68.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.723 -0.671 . . . . 73.22 111.28 -178.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -69.69 -38.69 77.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.305 -0.407 . . . . 72.33 111.037 -176.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -64.94 -37.2 86.86 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.615 -0.513 . . . . 74.11 109.615 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.2 tp -61.27 -52.44 64.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.466 -0.788 . . . . 73.34 110.504 175.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.451 HG12 ' O ' ' A' ' 58' ' ' ARG . 49.5 mm -60.09 -44.37 94.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.776 -0.647 . . . . 74.12 110.984 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -58.65 -45.13 89.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.041 0.448 . . . . 74.13 110.638 178.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.736 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 30.5 ttm -65.08 -49.72 68.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.423 0.63 . . . . 74.14 110.615 -179.407 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -58.22 -51.05 71.37 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.953 -1.021 . . . . 74.44 111.045 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -81.45 -64.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.809 0.67 . . . . 73.54 112.809 -173.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 62.3 m -73.37 -42.7 61.86 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.833 0.309 . . . . 73.31 111.833 -171.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 64' ' ' MET . 84.3 mt -84.52 -15.43 45.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.744 0.306 . . . . 70.13 110.558 -179.007 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 33.0 t 62.34 42.24 9.36 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.525 -0.761 . . . . 73.42 110.957 178.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.736 ' HB2' ' HG2' ' A' ' 64' ' ' MET . 4.1 m-20 -91.66 147.24 23.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.323 -0.399 . . . . 53.51 110.08 174.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.74 166.8 22.87 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.093 -0.503 . . . . 60.31 110.754 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -53.8 -52.98 58.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.079 -0.51 . . . . 63.22 111.555 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.1 m -65.69 -30.57 71.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.886 0.374 . . . . 74.15 111.029 -177.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.5 m -69.35 -40.63 77.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.217 0.532 . . . . 74.13 110.253 178.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.662 ' HA ' ' SD ' ' A' ' 64' ' ' MET . . . -71.01 -42.22 69.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.849 -0.614 . . . . 63.23 110.701 178.497 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -57.71 -47.3 82.77 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.723 -0.672 . . . . 52.22 111.375 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -67.63 -29.32 68.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.648 0.261 . . . . 73.41 110.961 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -70.71 -49.7 44.17 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 120.967 0.413 . . . . 70.52 110.161 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.547 HD22 HD13 ' A' ' 57' ' ' LEU . 90.3 mt -62.0 -29.99 70.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.833 -0.621 . . . . 74.21 110.68 178.403 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.542 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 75.7 m -55.1 -47.59 74.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.864 -0.607 . . . . 63.05 111.6 176.629 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.3 p -61.71 -36.39 80.8 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.144 0.497 . . . . 73.23 110.903 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.422 HG23 ' HE2' ' A' ' 85' ' ' TYR . 65.1 mt -67.76 -52.65 37.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.679 -0.691 . . . . 62.25 110.515 178.17 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.542 ' HG3' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -62.74 -29.27 70.56 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.525 -0.307 . . . . 64.31 111.218 -178.366 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 80' ' ' SER . 68.3 mt -61.68 -51.18 75.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 121.186 -0.205 . . . . 63.01 111.073 175.302 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.422 ' HE2' HG23 ' A' ' 82' ' ' ILE . 1.2 p90 -73.24 -34.83 66.09 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 120.4 -0.52 . . . . 71.21 110.557 -176.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.619 ' O ' HG13 ' A' ' 90' ' ' ILE . 77.5 t -63.93 -44.73 98.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.811 -0.44 . . . . 74.32 109.811 175.594 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.637 ' HA ' HD12 ' A' ' 90' ' ' ILE . 3.2 m -61.62 -37.8 85.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.537 -0.756 . . . . 61.32 111.334 178.154 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.05 -36.82 84.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.109 0.48 . . . . 43.11 110.188 175.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.2 -22.22 64.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.58 -0.736 . . . . 64.22 111.305 177.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.637 HD12 ' HA ' ' A' ' 87' ' ' SER . 69.1 mt -77.94 -30.6 16.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.004 0.43 . . . . 72.1 110.525 177.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -69.09 -44.51 72.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 64.3 111.152 -176.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -157.38 60.35 0.5 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.28 0.562 . . . . 61.42 110.06 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -138.13 -99.33 0.49 Allowed Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.396 -0.907 . . . . 74.53 112.516 178.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -149.69 -29.86 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.898 0.38 . . . . 73.21 110.9 -173.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 93.4 mmm -62.45 126.3 26.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.49 . . . . 72.32 110.709 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -59.06 -51.85 68.29 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.788 0.804 . . . . 72.44 111.18 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -167.06 158.93 12.69 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.026 -1.443 . . . . 73.14 108.505 -157.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -81.36 142.16 50.19 Favored Pre-proline 0 N--CA 1.444 -0.747 0 CA-C-O 121.445 0.64 . . . . 52.33 111.963 -173.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.564 ' HG3' HD12 ' A' ' 52' ' ' LEU . 94.9 Cg_endo -83.68 -2.48 10.4 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 123.42 2.746 . . . . 34.32 110.543 171.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.708 ' HA ' ' HD2' ' A' ' 103' ' ' PHE . 7.4 t80 -94.02 9.1 38.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.307 -1.315 . . . . 74.04 109.764 -178.489 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.51 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 17.3 mmtt -48.16 -51.68 23.98 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 114.779 -1.1 . . . . 71.22 112.254 -176.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.95 -18.26 37.85 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.283 -0.417 . . . . 74.2 111.508 -175.33 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.708 ' HD2' ' HA ' ' A' ' 100' ' ' PHE . 99.2 m-85 . . . . . 0 C--N 1.32 -0.686 0 N-CA-C 109.203 -0.665 . . . . 63.44 109.203 176.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptp . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 121.049 0.452 . . . . 61.3 110.78 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -139.76 91.19 2.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.52 0.676 . . . . 65.53 110.515 177.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -136.39 87.72 21.7 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.478 -0.783 . . . . 72.33 110.573 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -65.02 85.9 0.18 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.962 2.441 . . . . 64.01 112.198 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m 59.05 75.14 0.41 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.417 -0.811 . . . . 61.53 111.726 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -87.4 6.96 31.22 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.95 0.881 . . . . 60.12 110.261 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.628 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -107.76 113.55 26.89 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.551 -1.204 . . . . 72.52 111.118 -178.403 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -93.95 -18.65 21.69 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.202 -0.908 . . . . 74.5 110.95 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.814 ' HA ' ' HA2' ' A' ' 46' ' ' GLY . 23.2 t -111.75 152.31 27.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.145 -0.479 . . . . 75.51 111.273 -173.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.498 ' O ' HG23 ' A' ' 14' ' ' VAL . 31.0 p90 -54.78 -41.99 71.2 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.769 -0.651 . . . . 74.42 111.703 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.708 ' HB2' ' HB3' ' A' ' 37' ' ' MET . 3.1 p-80 -72.34 -25.23 61.46 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.01 0.433 . . . . 72.24 110.9 -176.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.628 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 3.9 m-20 -80.02 -37.01 34.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.301 -0.409 . . . . 72.33 110.395 174.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.557 ' CD1' ' HB2' ' A' ' 85' ' ' TYR . 19.5 t80 -62.01 -49.52 75.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.738 -0.664 . . . . 74.35 109.775 178.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.7 HG22 ' HB3' ' A' ' 85' ' ' TYR . 92.0 t -59.46 -46.9 92.4 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.303 0 CA-C-N 115.765 -0.652 . . . . 73.13 110.598 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.58 -33.2 67.93 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.933 0.345 . . . . 55.42 111.933 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.414 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 35.6 t -83.67 -51.12 7.54 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 121.066 -0.254 . . . . 74.14 111.222 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -65.74 -28.15 68.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.677 0.275 . . . . 70.35 110.691 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 50.1 tpp -52.14 -28.32 17.54 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 115.787 -0.642 . . . . 63.44 111.881 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.464 ' HA ' ' OG ' ' A' ' 22' ' ' SER . 22.2 ptmt -50.77 -30.39 13.96 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.821 0.343 . . . . 73.4 111.485 178.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 m -71.45 -24.34 62.0 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.279 0.561 . . . . 74.45 110.683 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -101.72 -33.52 9.82 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.873 -0.603 . . . . 74.42 111.361 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.464 ' OG ' ' HA ' ' A' ' 19' ' ' LYS . 38.1 p -66.79 -24.17 66.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.017 0.436 . . . . 73.14 111.026 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -17.81 64.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.429 0.633 . . . . 71.03 109.817 175.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 -127.31 23.27 6.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.538 -0.755 . . . . 73.13 110.463 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' A' ' 25' ' ' LEU . 9.3 tp -124.18 172.62 8.9 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.179 -1.045 . . . . 71.53 108.179 177.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.448 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -93.16 167.67 11.62 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 109.549 -0.538 . . . . 74.31 109.549 169.746 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.658 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 50.0 mm -77.41 -27.43 15.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 116.3 -0.409 . . . . 73.44 110.764 -173.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.25 -59.22 7.86 Favored Glycine 0 C--N 1.331 0.285 0 CA-C-N 116.079 -0.509 . . . . 61.21 113.543 -175.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.438 HG22 ' OE2' ' A' ' 26' ' ' GLU . 10.3 t -72.65 -41.4 65.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.99 0.395 . . . . 61.53 111.051 -178.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -50.09 -53.67 25.65 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 111.974 0.361 . . . . 73.21 111.974 176.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.658 ' HG2' ' O ' ' A' ' 27' ' ' ILE . 2.1 ptm180 -67.84 -28.92 67.97 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.662 0.268 . . . . 72.12 111.504 -176.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -70.67 -42.59 70.56 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.912 -0.315 . . . . 75.02 111.192 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -77.51 -25.63 50.47 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.647 -0.421 . . . . 73.31 110.396 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -58.88 -49.38 78.0 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.677 -0.692 . . . . 72.24 111.334 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.5 m -67.85 -36.14 79.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.102 0.477 . . . . 62.34 110.936 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.6 m -64.16 -55.68 20.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.655 . . . . 73.51 111.7 -176.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.708 ' HB3' ' HB2' ' A' ' 11' ' ' HIS . 73.0 mtm -60.9 -26.4 67.42 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.733 0.642 . . . . 74.22 112.733 -174.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.418 ' HD3' ' HA ' ' A' ' 38' ' ' ARG . 13.6 tpp180 -71.27 -51.33 25.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.88 0.371 . . . . 53.13 111.216 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -79.89 -6.42 57.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.149 0.499 . . . . 61.31 111.08 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.28 4.32 2.32 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.673 -0.694 . . . . 74.12 111.94 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -77.76 17.96 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.228 0.455 . . . . 75.52 112.228 -176.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.406 ' HG3' ' CD1' ' A' ' 43' ' ' TYR . 9.3 pt-20 -70.35 -36.3 74.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.707 0.289 . . . . 72.43 110.791 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.406 ' CD1' ' HG3' ' A' ' 42' ' ' GLU . 46.4 m-85 -83.86 -19.22 35.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.453 -0.34 . . . . 74.42 110.847 178.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.6 m 61.52 -164.42 0.24 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.751 -0.658 . . . . 63.3 110.945 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 72.1 158.91 0.2 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.369 0.604 . . . . 73.4 111.638 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.814 ' HA2' ' HA ' ' A' ' 9' ' ' SER . . . -89.84 -46.54 4.2 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.792 -0.64 . . . . 74.04 112.803 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.0 tt 72.27 108.61 0.07 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.155 0.582 . . . . 65.23 110.405 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -97.47 -168.96 1.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.744 -0.662 . . . . 53.43 111.533 -176.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.698 ' HE1' ' HB1' ' A' ' 89' ' ' ALA . 56.1 m-85 -57.13 -38.73 73.89 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.456 -0.793 . . . . 51.14 111.546 -177.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -80.05 -20.76 44.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.323 -0.399 . . . . 63.13 111.922 -172.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -86.46 -16.34 37.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.111 0.482 . . . . 73.25 110.466 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.49 ' CD1' ' HG3' ' A' ' 99' ' ' PRO . 1.2 tm? -85.21 97.21 9.78 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.687 -0.688 . . . . 52.23 109.417 178.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.474 ' O ' HD23 ' A' ' 57' ' ' LEU . 40.2 p -120.06 166.78 12.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.349 -0.387 . . . . 71.4 111.38 -177.03 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.57 ' HB3' ' HB2' ' A' ' 103' ' ' PHE . 2.6 mp0 -62.79 -38.75 91.86 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.129 -0.487 . . . . 63.14 109.925 176.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -67.79 -33.13 74.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.947 -0.569 . . . . 75.25 110.409 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -62.37 -51.0 69.36 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.953 -0.388 . . . . 64.4 109.953 175.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 53' ' ' THR . 4.5 mm? -58.35 -39.26 79.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.976 -0.556 . . . . 72.11 110.569 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 58' ' ' ARG . 28.8 ttt-85 -62.19 -53.79 50.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.8 -0.636 . . . . 53.23 111.128 176.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -63.4 -43.15 98.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 42.52 111.211 -176.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.7 -28.95 62.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.305 -0.407 . . . . 74.23 110.818 -177.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 58.5 tp -58.56 -52.19 66.69 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.21 -0.663 . . . . 60.35 109.21 171.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.428 ' O ' ' HB3' ' A' ' 66' ' ' LYS . 70.8 mt -59.7 -48.99 85.44 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.383 0 CA-C-N 115.204 -0.907 . . . . 55.13 110.535 177.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -55.74 -45.37 78.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.04 0.448 . . . . 60.21 111.663 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.488 ' O ' ' HB2' ' A' ' 68' ' ' LEU . 16.2 ttp -69.81 -40.79 75.71 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.136 0.493 . . . . 73.44 111.474 -176.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.546 ' O ' ' HA ' ' A' ' 69' ' ' CYS . 86.1 tttt -73.91 -40.78 62.89 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.822 -0.626 . . . . 64.32 111.36 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 67.1 tttt -85.41 -64.65 1.12 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.957 -0.565 . . . . 63.4 112.181 -174.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.5 m -74.08 -48.54 29.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.348 -0.387 . . . . 73.12 111.449 -173.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 64' ' ' MET . 89.9 mt -75.56 -26.68 58.18 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.019 -0.363 . . . . 64.01 110.019 178.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 8.5 t 63.91 85.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.423 -0.808 . . . . 63.41 111.169 177.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -139.56 166.54 24.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.532 -0.758 . . . . 71.54 109.997 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.9 162.95 25.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.457 -0.338 . . . . 65.11 110.735 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -59.79 -40.38 88.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.367 -0.379 . . . . 74.11 110.827 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.7 m -62.48 -42.01 99.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.871 0.367 . . . . 72.1 110.581 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.7 m -65.09 -44.76 87.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.955 -0.566 . . . . 72.12 110.394 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.81 -49.36 70.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.641 -0.709 . . . . 74.12 111.577 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -61.83 -39.09 90.58 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.929 0.395 . . . . 70.52 110.557 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -65.08 -43.91 90.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 75.24 111.567 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -69.21 -37.03 77.88 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.038 0.447 . . . . 70.05 110.938 -178.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.425 HD22 HD13 ' A' ' 57' ' ' LEU . 50.5 mt -69.58 -37.67 77.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.319 -0.401 . . . . 64.12 111.017 177.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.546 ' O ' HG12 ' A' ' 84' ' ' ILE . 13.0 p -71.85 -14.24 61.9 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.965 -0.294 . . . . 70.21 110.602 177.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.597 HG22 HG11 ' A' ' 14' ' ' VAL . 42.3 m -71.64 -40.52 69.64 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.381 -0.6 . . . . 65.32 109.381 173.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.55 HG23 ' HE2' ' A' ' 85' ' ' TYR . 94.7 mt -67.32 -40.41 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.702 -0.681 . . . . 54.51 109.205 172.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 87' ' ' SER . 14.0 tmtt? -55.44 -29.84 59.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.361 -0.836 . . . . 73.43 110.545 177.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.546 HG12 ' O ' ' A' ' 80' ' ' SER . 34.0 mm -57.04 -55.49 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.66 -0.245 . . . . 62.11 111.555 177.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.7 ' HB3' HG22 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -71.77 -33.16 68.39 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 120.488 -0.485 . . . . 72.12 109.909 -176.559 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.524 ' O ' HG13 ' A' ' 90' ' ' ILE . 74.6 t -59.92 -51.01 77.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.927 -0.579 . . . . 75.11 109.858 175.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.469 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 0.5 OUTLIER -62.62 -36.59 83.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.399 -0.819 . . . . 71.24 111.649 179.629 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.74 -43.42 98.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.18 0.514 . . . . 74.33 110.129 174.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.698 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -67.59 -22.58 65.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.435 -0.802 . . . . 63.15 111.085 177.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 86' ' ' VAL . 91.9 mt -81.4 -43.28 20.16 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-O 121.079 0.466 . . . . 70.52 110.781 175.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -68.54 -44.4 74.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.847 -0.615 . . . . 72.24 112.029 -172.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -139.29 19.08 2.58 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.798 0.332 . . . . 72.02 111.165 -177.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -105.89 -111.62 3.61 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.314 -0.946 . . . . 54.25 112.63 -177.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.12 -3.34 0.76 Allowed 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 120.691 0.281 . . . . 74.13 111.614 -175.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.515 ' SD ' HG13 ' A' ' 86' ' ' VAL . 7.2 ttt -89.96 139.49 30.55 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.5 -0.555 . . . . 73.44 109.5 -178.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -91.13 -45.58 8.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.178 0.513 . . . . 74.21 110.988 -173.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -133.89 149.12 51.31 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.88 -0.6 . . . . 70.43 110.555 -175.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -86.6 151.36 52.86 Favored Pre-proline 0 N--CA 1.446 -0.662 0 CA-C-N 115.796 -0.638 . . . . 73.32 109.781 176.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.49 ' HG3' ' CD1' ' A' ' 52' ' ' LEU . 28.7 Cg_endo -61.8 -35.49 78.72 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.619 2.213 . . . . 74.13 112.162 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.423 ' HA ' ' HB3' ' A' ' 103' ' ' PHE . 68.8 m-85 -70.43 -12.58 61.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.219 -0.446 . . . . 53.01 111.989 -176.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -72.46 -39.83 67.45 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 110.015 -0.365 . . . . 71.03 110.015 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -93.52 -30.6 14.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.3 0.572 . . . . 74.03 110.783 176.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.57 ' HB2' ' HB3' ' A' ' 54' ' ' GLU . 65.5 t80 -76.42 -35.78 58.38 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.491 -0.777 . . . . 60.4 111.224 -177.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -99.66 -41.35 2.94 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.544 -0.836 . . . . 73.03 112.878 -176.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -107.61 94.44 5.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.999 0.399 . . . . 54.25 111.813 -175.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -77.66 126.32 30.69 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.016 -1.105 . . . . 70.22 108.016 168.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 60.8 m80 -57.31 -43.44 83.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.178 -0.464 . . . . 64.24 111.553 -172.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 26.3 t60 69.64 -61.21 0.45 Allowed 'General case' 0 N--CA 1.47 0.532 0 O-C-N 123.896 0.747 . . . . 74.41 110.965 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -116.28 117.2 29.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.259 -0.428 . . . . 73.4 110.298 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -136.56 79.81 1.78 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.903 -0.589 . . . . 73.42 109.419 175.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.429 ' O ' ' HB3' ' A' ' 112' ' ' HIS . 9.7 t60 55.19 -102.86 0.16 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.345 -0.843 . . . . 65.33 108.807 -172.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' A' ' 111' ' ' HIS . 12.8 p80 . . . . . 0 C--O 1.245 0.83 0 C-N-CA 124.017 0.927 . . . . 74.33 109.072 170.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.8 tpp . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 121.325 0.583 . . . . 73.1 110.431 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -136.2 116.73 13.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.573 -0.74 . . . . 73.1 109.915 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -152.87 144.27 16.26 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 108.538 -0.912 . . . . 71.44 108.538 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -48.35 -32.73 20.71 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.746 2.297 . . . . 43.33 112.919 177.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t 57.79 44.4 20.32 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.834 0.826 . . . . 74.33 109.184 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -84.77 11.35 9.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.033 -0.985 . . . . 72.04 110.947 -173.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -80.49 120.08 24.0 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.109 -0.951 . . . . 71.4 109.589 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.703 ' HE3' ' HE1' ' A' ' 43' ' ' TYR . 49.3 mtmt -89.21 9.91 24.0 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.82 -0.627 . . . . 62.11 112.553 -171.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.2 p -147.84 151.01 35.23 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 116.026 -0.534 . . . . 73.32 110.049 171.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.609 ' O ' HG23 ' A' ' 14' ' ' VAL . 65.8 m-85 -63.42 -27.91 69.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.36 -0.382 . . . . 54.32 110.011 175.323 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -65.02 -41.22 95.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.943 -0.571 . . . . 75.21 110.062 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -78.39 -35.26 47.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.445 -0.798 . . . . 74.33 110.07 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -62.64 -38.92 92.17 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.304 -0.862 . . . . 55.42 110.851 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.67 HG11 ' HB ' ' A' ' 81' ' ' THR . 32.7 t -54.55 -40.34 49.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.19 -0.459 . . . . 73.14 111.527 178.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.28 -35.64 74.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.444 -0.344 . . . . 62.44 111.294 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.0 t -71.41 -40.65 70.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.391 -0.368 . . . . 72.34 110.483 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -72.86 -39.86 66.13 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.839 -0.43 . . . . 73.4 109.839 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.439 ' HA ' ' CZ ' ' A' ' 21' ' ' TYR . 44.8 tpp -53.29 -49.48 66.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.544 -0.753 . . . . 72.01 110.151 175.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.423 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 86.0 tttt -51.0 -36.01 36.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.127 -0.942 . . . . 74.21 111.75 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.7 m -54.06 -52.92 59.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.879 -0.601 . . . . 63.01 111.804 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.439 ' CZ ' ' HA ' ' A' ' 18' ' ' MET . 20.5 p90 -93.9 -8.79 39.23 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.891 -0.324 . . . . 75.43 111.6 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.423 ' HB2' ' HA ' ' A' ' 19' ' ' LYS . 71.0 m -70.67 -8.55 52.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.028 0.442 . . . . 65.34 110.594 173.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.476 ' O ' ' HD3' ' A' ' 23' ' ' ARG . 4.1 tmt_? -55.49 -28.65 55.84 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.776 -0.647 . . . . 73.11 110.555 176.193 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -81.22 -13.14 58.84 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.015 0.436 . . . . 71.3 110.933 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.0 mp -93.03 153.74 18.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.91 -0.586 . . . . 71.32 110.178 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.89 155.48 40.76 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 115.649 -0.705 . . . . 73.43 109.49 174.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.7 mt -59.44 -35.12 56.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.093 0.473 . . . . 74.35 109.858 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.29 -36.56 83.76 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.541 -0.754 . . . . 74.2 112.89 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.9 m -79.12 -46.15 18.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.075 0.438 . . . . 64.53 110.472 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -58.15 -43.85 87.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.665 -0.698 . . . . 75.32 112.432 -177.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -61.26 -20.28 62.67 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.338 0.495 . . . . 72.42 112.338 -176.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -54.69 -50.86 67.25 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 111.91 0.337 . . . . 74.3 111.91 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.608 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 76.9 t60 -110.31 -0.88 17.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.029 0.442 . . . . 75.05 110.721 -174.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -66.98 -51.88 49.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.197 0.522 . . . . 72.11 111.36 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.38 15.79 6.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.856 -0.611 . . . . 75.24 112.615 -172.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.608 ' SG ' ' HA ' ' A' ' 33' ' ' HIS . 68.7 m -77.98 -66.92 0.78 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.803 0.335 . . . . 75.02 111.257 -178.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.423 ' HG3' ' HG3' ' A' ' 42' ' ' GLU . 4.6 mpp? -65.63 -30.44 71.16 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.148 -0.478 . . . . 74.01 111.647 -174.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.08 -36.56 77.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.159 -0.473 . . . . 71.21 112.016 -178.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -75.13 -48.06 25.57 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 120.968 0.413 . . . . 74.54 110.783 -177.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -72.33 -21.06 61.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.822 -0.626 . . . . 74.44 111.027 -176.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 58.4 mttp 67.42 72.36 0.34 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.296 -0.866 . . . . 75.43 110.176 -174.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.423 ' HG3' ' HG3' ' A' ' 37' ' ' MET . 6.1 mm-40 -71.5 122.28 20.16 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.551 -0.75 . . . . 72.24 110.273 177.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.703 ' HE1' ' HE3' ' A' ' 8' ' ' LYS . 63.4 m-85 -125.36 135.98 52.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.069 0.462 . . . . 74.24 110.748 178.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.2 m -141.65 92.83 2.5 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.711 -0.677 . . . . 74.44 109.307 178.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.15 46.61 1.33 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.674 0.75 . . . . 71.34 109.596 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 176.66 -127.2 1.19 Allowed Glycine 0 N--CA 1.439 -1.164 0 CA-C-N 115.089 -0.959 . . . . 75.03 110.848 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.515 HD22 ' HB3' ' A' ' 51' ' ' GLU . 3.0 tm? 66.54 119.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.939 0.876 . . . . 73.42 110.078 -176.237 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.481 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 12.9 mm100 -111.39 167.75 10.06 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.504 -0.771 . . . . 62.55 110.003 -174.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -62.94 -38.51 91.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.592 -0.276 . . . . 44.45 111.005 -177.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -92.42 6.81 45.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.064 0.459 . . . . 74.53 110.56 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.515 ' HB3' HD22 ' A' ' 47' ' ' LEU . 11.3 tt0 -94.16 -28.24 15.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.012 0.434 . . . . 75.21 110.359 178.072 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.665 ' HG ' HG21 ' A' ' 86' ' ' VAL . 1.0 OUTLIER -78.97 84.28 5.01 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.973 -0.751 . . . . 75.01 108.973 177.272 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.525 ' O ' HD23 ' A' ' 57' ' ' LEU . 25.6 p -128.93 -175.76 3.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.697 -0.683 . . . . 52.02 111.221 -175.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -57.64 -40.83 80.16 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.236 -0.438 . . . . 71.41 110.455 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.35 -44.77 95.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.794 -0.639 . . . . 72.13 111.084 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -64.16 -45.91 86.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 75.35 110.355 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 53' ' ' THR . 4.3 mm? -60.15 -45.86 91.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 71.12 110.828 178.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -60.9 -48.27 82.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 70.21 111.198 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -67.1 -43.72 81.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.238 -0.437 . . . . 65.31 111.222 -177.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -69.88 -33.54 72.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 75.22 110.506 -177.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.6 tp -59.24 -49.27 78.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.914 -0.584 . . . . 62.43 110.444 175.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.2 mt -59.83 -44.66 94.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.707 -0.679 . . . . 64.12 110.603 177.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -60.48 -37.14 80.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.229 0.537 . . . . 74.51 110.524 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.499 ' O ' ' HB2' ' A' ' 68' ' ' LEU . 6.8 tpp -65.69 -40.21 92.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.617 -0.72 . . . . 73.24 110.859 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 69' ' ' CYS . 8.6 tmtt? -82.13 -36.26 27.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.848 -0.615 . . . . 74.11 110.939 -176.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -81.79 -64.24 1.22 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.384 -0.371 . . . . 63.22 111.532 -177.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.5 m -77.63 -48.83 15.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.256 -0.429 . . . . 72.02 111.354 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.499 ' HB2' ' O ' ' A' ' 64' ' ' MET . 77.8 mt -78.1 -20.5 52.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.346 -0.388 . . . . 71.31 110.415 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 60.2 m 61.56 31.68 18.8 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.636 -0.711 . . . . 74.31 112.032 174.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -93.99 154.08 17.85 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.817 -0.438 . . . . 50.13 109.817 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.69 154.0 38.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.319 -0.401 . . . . 53.41 110.303 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.461 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 6.4 p-10 -59.85 -28.81 67.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.461 -0.336 . . . . 53.45 111.655 -177.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.0 m -61.11 -35.51 77.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.794 0.331 . . . . 61.25 110.797 176.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.2 m -85.04 -43.18 14.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 44.34 110.246 177.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.461 ' HB3' ' HA ' ' A' ' 72' ' ' ASP . . . -55.22 -45.04 75.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.654 -0.703 . . . . 43.3 111.606 -178.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.452 ' HA ' ' OE1' ' A' ' 76' ' ' GLN . 12.7 mm-40 -65.05 -33.16 75.37 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 116.224 -0.444 . . . . 73.31 111.472 -178.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -72.52 -38.56 68.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.605 0.24 . . . . 73.22 110.883 176.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -60.15 -40.06 88.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.35 0.595 . . . . 72.23 110.226 176.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 92.9 mt -75.07 -37.22 61.69 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.522 -0.763 . . . . 72.04 110.771 177.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.417 ' O ' HG13 ' A' ' 84' ' ' ILE . 33.4 t -63.14 -35.48 80.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.504 . . . . 40.55 111.492 -178.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.67 ' HB ' HG11 ' A' ' 14' ' ' VAL . 11.3 p -66.08 -32.34 73.75 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.474 -0.49 . . . . 73.21 110.766 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.8 mt -70.75 -40.09 76.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.032 -0.729 . . . . 75.21 109.032 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.485 ' HE2' ' OD2' ' A' ' 98' ' ' ASP . 11.9 tmtt? -56.4 -38.62 71.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.525 -1.216 . . . . 73.45 110.826 178.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 80' ' ' SER . 82.3 mt -59.72 -42.6 89.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.682 0.277 . . . . 65.24 110.971 178.306 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.431 ' HB2' HG22 ' A' ' 14' ' ' VAL . 91.1 t80 -68.81 -46.55 68.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.012 0.434 . . . . 72.14 110.526 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.665 HG21 ' HG ' ' A' ' 52' ' ' LEU . 84.0 t -61.91 -46.08 97.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.79 -0.641 . . . . 53.21 110.974 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 m -63.29 -37.02 85.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.793 -0.64 . . . . 70.33 111.485 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.89 -35.83 80.9 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.275 0.559 . . . . 63.24 110.144 175.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.01 -22.01 66.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.488 -0.778 . . . . 54.33 111.287 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.735 HG12 ' HB3' ' A' ' 95' ' ' MET . 62.0 mt -76.89 -32.82 20.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.903 0.382 . . . . 74.02 110.576 177.109 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -67.44 -44.05 79.66 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.156 -0.475 . . . . 54.14 111.473 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -160.97 57.43 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.085 -0.507 . . . . 71.23 110.04 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -142.68 -99.4 0.32 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 119.962 -1.113 . . . . 75.34 113.541 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.63 -26.06 0.69 Allowed 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 120.619 0.247 . . . . 61.13 111.594 -170.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.735 ' HB3' HG12 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -84.75 172.25 11.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.367 -0.378 . . . . 51.23 110.297 -176.433 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.499 ' HA ' HG23 ' A' ' 90' ' ' ILE . 30.4 tt0 -152.0 -43.11 0.11 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.023 0.439 . . . . 71.44 110.966 -175.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -108.37 115.04 29.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.893 -0.594 . . . . 61.43 110.793 -173.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.485 ' OD2' ' HE2' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -61.23 140.93 94.33 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 120.782 0.325 . . . . 64.33 111.13 177.614 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -75.14 -31.82 5.72 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.432 2.088 . . . . 54.13 112.108 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.803 ' HA ' ' HB3' ' A' ' 103' ' ' PHE . 21.1 m-85 -71.98 -10.84 60.34 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.237 -0.438 . . . . 64.55 111.504 -177.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.19 -35.75 76.59 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 109.497 -0.557 . . . . 71.5 109.497 176.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -96.75 -25.18 15.61 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.155 -0.475 . . . . 71.13 110.559 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.803 ' HB3' ' HA ' ' A' ' 100' ' ' PHE . 67.5 t80 -68.07 -41.41 81.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.384 -0.825 . . . . 74.25 110.767 -178.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.9 -28.42 62.74 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.707 -0.759 . . . . 74.53 112.026 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.9 tp 70.8 -4.61 1.66 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.371 0.668 . . . . 75.02 111.766 177.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 69.09 136.33 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.431 0.634 . . . . 74.0 110.876 -175.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -107.25 -4.38 18.78 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.034 -0.53 . . . . 72.22 109.971 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -99.83 174.49 6.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.709 -0.678 . . . . 64.44 110.09 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -123.3 111.37 16.34 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.673 -0.491 . . . . 71.0 109.673 173.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -106.89 124.43 49.6 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.662 -0.699 . . . . 65.35 109.808 -176.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -73.24 115.55 12.72 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.419 -0.586 . . . . 54.12 109.419 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 . . . . . 0 C--O 1.246 0.916 0 CA-C-N 115.618 -0.719 . . . . 61.15 109.771 -174.717 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 ptp . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 110.127 -0.323 . . . . 73.15 110.127 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -120.56 -55.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 70.22 112.047 -171.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.408 ' CG ' ' HD2' ' A' ' 4' ' ' PRO . 27.9 t-20 -147.42 151.49 40.11 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.283 -0.417 . . . . 72.34 110.687 -168.174 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.408 ' HD2' ' CG ' ' A' ' 3' ' ' ASN . 70.4 Cg_exo -40.46 -33.42 0.94 Allowed 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 123.794 2.996 . . . . 61.25 113.26 171.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 t 67.3 60.71 0.49 Allowed 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.801 -0.636 . . . . 63.33 110.956 173.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -90.01 6.37 42.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.506 0.67 . . . . 72.32 110.435 175.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.591 ' HB2' ' HB3' ' A' ' 12' ' ' ASP . 3.5 p90 -121.3 117.77 27.85 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.121 -0.945 . . . . 74.42 110.943 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -102.03 -13.31 17.59 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.33 -0.85 . . . . 74.21 109.758 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.456 ' HB2' ' HB2' ' A' ' 12' ' ' ASP . 50.3 m -72.83 140.4 47.6 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.476 -1.238 . . . . 43.15 111.499 -174.054 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -52.91 -57.16 11.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.303 -0.862 . . . . 75.44 110.427 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.579 ' CE1' ' HB2' ' A' ' 42' ' ' GLU . 15.7 p-80 -59.9 -25.36 65.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.529 -0.76 . . . . 61.23 111.891 -178.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.591 ' HB3' ' HB2' ' A' ' 7' ' ' PHE . 4.0 m-20 -81.03 -50.21 9.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.385 -0.371 . . . . 71.41 111.144 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -62.46 -43.27 99.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 63.01 110.46 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.758 HG11 ' HB ' ' A' ' 81' ' ' THR . 88.9 t -65.74 -39.37 84.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 62.24 110.957 -178.203 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.63 84.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.36 . . . . 40.45 111.19 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.4 t -74.94 -43.21 55.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.048 -0.524 . . . . 60.44 110.511 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -69.04 -37.97 78.88 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.394 -0.366 . . . . 73.23 111.261 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 40.8 tpp -61.74 -30.19 70.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.431 . . . . 74.45 110.51 -178.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -57.24 -38.48 73.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.923 -0.58 . . . . 64.41 110.817 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.9 m -82.62 -30.82 29.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.967 -0.561 . . . . 62.0 110.468 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -65.48 -17.33 64.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.836 -0.62 . . . . 71.54 110.392 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.524 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 42.3 t -61.55 -12.4 15.25 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.938 -0.574 . . . . 73.1 111.856 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -64.63 -17.3 63.9 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.851 0.358 . . . . 64.44 110.924 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 24' ' ' ARG . 9.3 ptm180 -131.46 19.49 4.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.247 -0.433 . . . . 74.45 110.416 175.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.62 ' HG ' HG23 ' A' ' 29' ' ' THR . 15.2 tp -137.24 121.7 18.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.088 -0.506 . . . . 72.43 110.159 -177.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -63.76 156.99 25.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.929 0.395 . . . . 71.35 111.053 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.5 mm -62.86 -37.73 79.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.702 -0.681 . . . . 73.3 110.908 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -55.52 -50.2 61.34 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 121.013 -0.613 . . . . 72.45 112.596 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.62 HG23 ' HG ' ' A' ' 25' ' ' LEU . 1.8 t -77.71 -41.49 37.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.819 -0.224 . . . . 74.21 110.872 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -49.98 -52.72 31.55 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 122.479 0.312 . . . . 71.32 111.054 176.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -69.78 -32.51 71.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.926 -0.579 . . . . 64.31 111.605 -177.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 16.1 t-80 -71.43 -4.88 28.89 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 120.918 0.389 . . . . 70.52 111.416 -174.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -143.77 30.88 1.31 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.317 0.58 . . . . 72.21 109.719 171.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -95.71 -73.09 0.6 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.395 -0.821 . . . . 45.54 110.543 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.484 ' O ' ' HB2' ' A' ' 39' ' ' LYS . 17.3 m -74.66 -15.99 60.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.396 -0.82 . . . . 65.34 111.605 -174.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 69.0 m -45.87 -56.16 5.76 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.337 0.398 . . . . 54.21 112.007 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.475 ' HB3' ' HB2' ' A' ' 11' ' ' HIS . 66.9 mtm -55.18 -52.88 61.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.327 -0.851 . . . . 73.13 111.982 -176.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -77.65 -40.54 41.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.597 0.592 . . . . 72.32 112.597 -174.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -65.42 -59.26 4.2 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 112.161 0.43 . . . . 73.14 112.161 -171.322 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -65.14 -48.89 71.97 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.886 -0.326 . . . . 65.14 110.93 -175.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.568 ' HG2' ' HB2' ' A' ' 43' ' ' TYR . 41.1 ttmt 179.58 102.45 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.747 -0.661 . . . . 70.54 109.604 -175.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.579 ' HB2' ' CE1' ' A' ' 11' ' ' HIS . 4.2 pt-20 -59.94 -53.96 51.68 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.826 -0.624 . . . . 74.32 111.443 -179.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.568 ' HB2' ' HG2' ' A' ' 41' ' ' LYS . 10.1 t80 59.58 -161.83 0.26 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.83 0.347 . . . . 60.42 111.429 168.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 55.9 m 77.17 -73.98 0.08 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.029 0.931 . . . . 61.41 112.046 177.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 64.55 -75.32 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.55 0.531 . . . . 74.45 111.258 -175.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -142.61 49.22 0.74 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.988 -0.625 . . . . 53.42 112.4 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.64 129.33 39.37 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.443 -0.577 . . . . 72.1 109.443 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -95.95 173.47 7.42 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.3 0.571 . . . . 75.44 111.795 -173.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -58.97 -30.26 67.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.249 -0.887 . . . . 74.31 111.427 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -64.78 -29.29 70.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.38 -0.827 . . . . 70.3 111.05 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -87.08 -22.66 25.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.961 0.41 . . . . 73.02 110.83 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -83.81 90.56 7.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.1 -0.5 . . . . 71.22 110.212 -177.134 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.7 p -129.13 -179.88 5.38 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.067 -0.515 . . . . 72.13 111.225 -177.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -61.22 -42.05 97.92 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.978 -0.749 . . . . 73.42 108.978 171.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.99 -41.9 93.04 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.149 -0.932 . . . . 73.3 111.054 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.486 ' HD2' HD22 ' A' ' 57' ' ' LEU . 70.9 t80 -57.92 -51.62 68.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.97 0.414 . . . . 74.21 110.375 178.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.486 HD22 ' HD2' ' A' ' 56' ' ' PHE . 4.5 mm? -62.45 -40.59 97.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.654 -0.703 . . . . 73.23 111.142 179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -43.97 81.48 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.636 -0.711 . . . . 74.15 111.318 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -71.9 -36.71 70.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.231 -0.44 . . . . 75.53 110.971 -177.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -61.64 -38.62 88.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.045 0.45 . . . . 70.25 110.04 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.714 HD11 ' HA ' ' A' ' 72' ' ' ASP . 30.6 tp -65.59 -47.24 76.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.785 -0.643 . . . . 63.34 110.763 176.156 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 78.0 mt -57.23 -45.76 84.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.88 -0.6 . . . . 74.11 110.6 176.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -61.88 -39.21 91.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.281 0.562 . . . . 73.44 110.139 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.623 ' HG2' ' HB2' ' A' ' 75' ' ' ALA . 24.8 tpp -58.99 -43.83 91.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.37 -0.832 . . . . 71.21 110.728 176.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -75.87 -40.86 53.78 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.955 -1.021 . . . . 64.2 111.363 -175.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -81.11 -63.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.147 0.498 . . . . 75.03 111.859 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.5 m -78.98 -33.66 44.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.885 -0.598 . . . . 71.03 112.173 -170.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 64' ' ' MET . 88.5 mt -93.38 -89.08 0.21 Allowed 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.212 -0.595 . . . . 65.21 111.934 -175.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 68' ' ' LEU . 14.9 m 179.07 -42.21 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.768 0.318 . . . . 73.13 111.292 -170.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.544 ' HB3' ' HB ' ' A' ' 74' ' ' THR . 38.0 m-80 -69.85 152.43 44.55 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.002 -0.544 . . . . 72.13 112.092 -168.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -98.06 -170.69 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.511 -0.768 . . . . 53.34 111.302 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.714 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -52.49 -67.55 0.24 Allowed 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.06 0.763 . . . . 43.44 113.06 -176.078 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.543 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 24.2 t -57.71 -40.45 79.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.634 0.254 . . . . 75.41 111.14 -177.029 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.544 ' HB ' ' HB3' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -58.91 -42.96 90.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.147 0.499 . . . . 62.45 110.768 179.62 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.623 ' HB2' ' HG2' ' A' ' 64' ' ' MET . . . -71.29 -36.96 71.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.026 -0.534 . . . . 74.13 111.026 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -60.04 -38.01 81.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.634 -0.257 . . . . 72.34 110.937 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 73' ' ' SER . 33.0 mmt180 -59.55 -39.86 85.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.32 0.581 . . . . 71.1 110.509 175.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -78.17 -39.07 41.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.499 -0.773 . . . . 74.2 111.618 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 79' ' ' LEU . 36.2 mt -63.55 -22.85 67.12 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 111.845 0.313 . . . . 72.32 111.845 -177.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.478 ' O ' HG12 ' A' ' 84' ' ' ILE . 49.7 m -52.67 -28.17 20.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.299 -0.41 . . . . 65.22 111.774 174.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.758 ' HB ' HG11 ' A' ' 14' ' ' VAL . 51.9 p -63.44 -54.74 31.83 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.988 0.423 . . . . 61.05 111.038 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 55.0 mt -59.92 -38.65 77.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.791 -0.64 . . . . 73.51 110.555 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -55.29 -41.28 72.08 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 115.671 -0.695 . . . . 74.0 111.177 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 80' ' ' SER . 47.0 mm -59.87 -47.11 92.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.594 0.235 . . . . 73.35 111.215 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -70.13 -48.53 57.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.971 0.415 . . . . 75.0 110.692 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 90' ' ' ILE . 71.7 t -61.0 -41.67 90.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.85 -0.614 . . . . 61.21 110.306 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.3 m -57.08 -42.22 80.29 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.913 -0.585 . . . . 43.44 111.695 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.94 93.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.208 0.528 . . . . 62.14 110.7 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.416 ' HB1' ' HB3' ' A' ' 94' ' ' TYR . . . -70.84 -35.32 72.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.61 -0.723 . . . . 72.52 111.134 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 86' ' ' VAL . 78.0 mt -68.52 -40.01 81.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.863 0.363 . . . . 63.14 110.397 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -61.53 -38.29 86.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.95 -0.568 . . . . 71.22 110.885 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -77.99 -41.35 36.25 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.808 -0.357 . . . . 74.31 110.447 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 121.16 17.12 4.14 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.357 -0.925 . . . . 32.4 113.175 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.416 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 40.6 t80 -79.07 -39.82 32.85 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.959 -0.756 . . . . 72.41 108.959 175.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 75.5 mmm -98.82 116.5 31.2 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.382 -0.826 . . . . 64.34 108.802 171.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -82.58 -31.17 29.13 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.11 0.481 . . . . 72.33 111.524 -171.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -127.55 135.53 50.46 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.959 -0.564 . . . . 73.24 111.073 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.411 ' OD1' ' HD2' ' A' ' 99' ' ' PRO . 0.4 OUTLIER -67.07 141.47 96.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 61.31 110.28 172.277 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.411 ' HD2' ' OD1' ' A' ' 98' ' ' ASP . 58.4 Cg_endo -74.29 -29.04 9.97 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.209 1.94 . . . . 74.54 111.518 175.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.776 ' HA ' ' HD1' ' A' ' 103' ' ' PHE . 93.4 m-85 -86.1 -8.79 57.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.699 -0.682 . . . . 71.04 111.104 -178.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.458 ' HE3' ' HB3' ' A' ' 101' ' ' LYS . 0.9 OUTLIER -65.58 -30.12 70.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.899 -0.592 . . . . 63.34 110.974 -177.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -99.46 10.11 41.99 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.113 0.412 . . . . 74.54 112.113 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.776 ' HD1' ' HA ' ' A' ' 100' ' ' PHE . 30.8 m-85 -82.38 -4.73 57.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.373 0.606 . . . . 63.01 109.774 172.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 139.58 -99.29 0.26 Allowed Glycine 0 N--CA 1.443 -0.876 0 N-CA-C 110.33 -1.108 . . . . 72.43 110.33 -177.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 51.5 tp 62.15 -82.2 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 123.481 0.713 . . . . 72.44 111.915 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -170.74 92.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.456 -0.572 . . . . 55.41 109.456 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -84.58 31.09 0.53 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.089 0.471 . . . . 72.31 111.0 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -80.89 19.02 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.489 -0.778 . . . . 74.34 109.751 178.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 66.25 -84.99 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 115.535 -0.757 . . . . 75.43 109.946 -174.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -153.03 -80.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.019 0.438 . . . . 75.02 110.032 175.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -163.17 -47.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.951 -0.568 . . . . 73.33 109.636 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.219 -0.896 . . . . 71.22 109.364 179.876 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 120.483 0.182 . . . . 72.13 110.844 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -154.1 167.72 28.87 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.744 -0.465 . . . . 74.32 109.744 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 58.0 t30 70.27 83.82 0.15 Allowed Pre-proline 0 N--CA 1.466 0.34 0 CA-C-O 121.418 0.627 . . . . 72.33 110.679 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -85.0 150.92 10.97 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.948 2.432 . . . . 74.4 113.367 -175.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 t 60.69 21.7 11.64 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.449 -0.796 . . . . 73.14 111.284 176.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -133.09 10.29 4.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.546 0.688 . . . . 71.1 109.952 -177.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.492 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . 72.2 m-85 -60.36 148.03 38.58 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.029 -0.987 . . . . 70.4 111.622 -174.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.792 ' HD3' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -91.06 -22.26 20.83 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.649 -1.16 . . . . 64.44 112.2 -170.619 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.733 ' HB2' ' HB2' ' A' ' 12' ' ' ASP . 20.1 m -123.86 163.52 21.08 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.268 -0.424 . . . . 54.04 111.751 -174.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.496 ' O ' HG23 ' A' ' 14' ' ' VAL . 18.0 m-85 -68.37 -54.85 14.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.677 -0.692 . . . . 72.51 109.84 -176.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.506 ' HB3' ' CD ' ' A' ' 42' ' ' GLU . 68.3 t60 -71.8 -22.22 61.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.399 -0.818 . . . . 75.41 109.834 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.733 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 38.8 t70 -65.18 -46.59 80.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.574 -0.739 . . . . 71.31 109.583 176.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.549 ' HD1' ' HB2' ' A' ' 85' ' ' TYR . 25.8 t80 -66.01 -44.35 85.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.599 -0.728 . . . . 73.42 109.697 175.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.602 HG22 ' HB3' ' A' ' 85' ' ' TYR . 58.0 t -56.39 -48.78 79.39 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-N 115.57 -0.741 . . . . 62.53 111.561 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.84 -47.41 84.95 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.736 0.273 . . . . 54.21 111.736 -174.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.8 t -64.27 -41.88 96.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.432 -0.349 . . . . 55.22 110.995 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -71.76 -44.29 64.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.22 -0.445 . . . . 63.01 110.398 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.843 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 31.9 ttm -68.06 -28.29 67.25 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.855 -0.611 . . . . 73.52 110.952 -177.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -52.3 -42.66 63.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 64.42 110.211 175.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.7 m -85.81 -40.56 15.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.387 0.613 . . . . 75.32 110.459 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.843 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 73.5 t80 -63.42 -16.53 60.82 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.227 -0.897 . . . . 65.22 111.912 -177.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.2 p -62.75 -18.38 62.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.525 -0.307 . . . . 62.02 111.394 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -69.61 -10.84 59.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.099 0.476 . . . . 74.31 111.319 177.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -109.52 2.61 20.55 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.153 -0.476 . . . . 75.51 110.02 176.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.46 ' HG ' HG23 ' A' ' 29' ' ' THR . 1.8 mp -120.27 132.82 55.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.719 -0.673 . . . . 74.53 111.701 -175.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -76.83 160.8 28.96 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.13 -0.693 . . . . 73.55 109.13 169.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.9 mm -64.71 -35.89 76.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.729 -0.214 . . . . 74.01 110.596 -177.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.512 ' HA2' ' NE ' ' A' ' 31' ' ' ARG . . . -55.91 -46.62 83.38 Favored Glycine 0 C--N 1.333 0.403 0 CA-C-N 116.125 -0.489 . . . . 74.44 113.042 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.46 HG23 ' HG ' ' A' ' 25' ' ' LEU . 8.9 t -79.5 -33.65 41.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.672 0.273 . . . . 73.14 111.062 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -59.68 -52.42 65.57 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.425 -0.352 . . . . 62.22 111.151 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.512 ' NE ' ' HA2' ' A' ' 28' ' ' GLY . 37.8 ptt180 -65.1 -24.45 67.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.002 -0.545 . . . . 75.33 111.22 -177.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -64.57 -15.99 61.92 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.995 -0.548 . . . . 73.15 111.498 -173.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -142.0 34.14 1.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.156 0.503 . . . . 73.54 110.732 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -95.62 -53.37 3.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.735 -0.666 . . . . 75.11 111.713 -177.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.1 m -70.3 -33.84 72.03 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.865 0.691 . . . . 71.35 112.865 -171.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 35.3 m -51.43 -69.68 0.11 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.406 0.891 . . . . 51.12 113.406 -169.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 65.7 mtm -67.11 -25.77 66.37 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.741 0.305 . . . . 65.33 111.468 -175.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -61.11 -52.0 66.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.278 0.561 . . . . 75.44 110.491 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.495 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -66.42 -38.26 87.06 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 114.998 -1.001 . . . . 74.33 110.579 -177.348 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.43 ' O ' ' HB3' ' A' ' 41' ' ' LYS . 87.8 t80 -55.21 -32.38 62.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.349 -0.842 . . . . 75.04 112.255 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 40' ' ' PHE . 56.6 tptt 69.52 103.71 0.06 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.352 0.596 . . . . 73.54 110.674 -176.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.548 ' HB3' ' HB3' ' A' ' 9' ' ' SER . 32.2 mm-40 -60.44 -80.25 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.045 -0.98 . . . . 70.02 112.327 -177.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.1 t80 53.31 40.33 31.15 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.266 -0.879 . . . . 71.02 111.012 -174.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.627 ' HB2' ' HA ' ' A' ' 9' ' ' SER . 58.2 m -89.09 148.05 23.91 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.034 -0.728 . . . . 64.24 109.034 174.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -110.56 30.55 6.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.059 0.457 . . . . 70.54 111.389 -170.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 129.57 136.29 4.05 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.512 -0.851 . . . . 64.13 112.471 177.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.613 HD21 ' HB2' ' A' ' 52' ' ' LEU . 3.0 tm? -121.33 126.35 49.25 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.167 0.508 . . . . 73.12 110.006 178.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -114.35 -177.83 3.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.659 -0.7 . . . . 70.42 110.319 -178.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.509 ' HE1' ' H ' ' A' ' 97' ' ' ASN . 44.8 t80 -67.56 -57.37 6.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.21 -0.45 . . . . 63.12 110.229 178.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -87.71 68.18 9.39 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.694 0.759 . . . . 63.31 109.856 178.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -152.01 -49.3 0.11 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.54 -1.209 . . . . 74.34 108.209 174.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.613 ' HB2' HD21 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -85.69 82.29 8.28 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 107.902 -1.147 . . . . 52.31 107.902 170.366 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.488 ' O ' HD23 ' A' ' 57' ' ' LEU . 41.2 p -122.58 -176.82 3.47 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.808 -0.633 . . . . 74.22 111.365 -173.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.559 ' CD ' ' H ' ' A' ' 54' ' ' GLU . 1.4 mp0 -53.13 -39.09 63.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.718 -0.674 . . . . 73.22 110.188 177.087 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -67.37 -38.52 84.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.125 -0.943 . . . . 74.13 110.741 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -69.32 -40.07 77.85 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.905 -0.405 . . . . 73.23 109.905 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.541 HD13 HD22 ' A' ' 79' ' ' LEU . 3.8 mm? -57.48 -50.81 71.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.007 -0.542 . . . . 74.12 110.975 177.31 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.511 ' O ' HG12 ' A' ' 62' ' ' ILE . 28.8 ptt180 -68.93 -37.11 78.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.451 -0.34 . . . . 63.4 110.802 -178.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -65.4 -44.25 88.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.842 0.353 . . . . 72.34 110.708 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -66.58 -37.82 85.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 71.03 109.772 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.3 tp -59.54 -53.92 52.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.626 -0.715 . . . . 61.44 110.149 174.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.511 HG12 ' O ' ' A' ' 58' ' ' ARG . 40.3 mm -56.7 -48.37 80.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.009 -0.542 . . . . 73.33 111.14 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.411 ' O ' ' HB ' ' A' ' 67' ' ' THR . 70.8 t80 -60.33 -45.55 93.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.134 0.492 . . . . 72.11 110.973 -178.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.481 ' CE ' ' HA ' ' A' ' 75' ' ' ALA . 12.5 ttp -71.47 -42.97 67.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.881 -0.599 . . . . 74.23 111.69 -177.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -72.26 -49.0 38.31 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.082 -0.508 . . . . 52.43 110.866 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -84.57 -62.96 1.42 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.783 -0.189 . . . . 73.34 110.971 -174.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 63' ' ' TYR . 78.4 m -68.23 -49.82 58.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.751 0.31 . . . . 75.34 111.631 -174.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 64' ' ' MET . 93.6 mt -78.68 -8.02 58.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.707 0.289 . . . . 72.44 110.484 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 60.2 m 63.2 27.78 15.68 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.611 -0.722 . . . . 73.04 112.392 173.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -88.74 169.91 11.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.822 0.344 . . . . 75.3 110.942 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.32 168.34 11.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.933 -0.576 . . . . 75.12 110.121 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -69.62 -28.46 65.94 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.194 -0.202 . . . . 72.43 111.359 -177.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.4 m -57.04 -44.26 82.78 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.942 0.401 . . . . 71.13 110.532 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.0 m -69.46 -44.0 72.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.0 -0.545 . . . . 72.02 110.043 178.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.481 ' HA ' ' CE ' ' A' ' 64' ' ' MET . . . -60.71 -45.81 92.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.541 -0.754 . . . . 61.1 111.382 -179.087 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -62.88 -36.21 82.56 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.32 -0.4 . . . . 74.51 111.241 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.14 -46.03 75.32 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.032 0.444 . . . . 65.12 110.452 178.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.404 ' HB2' ' HE1' ' A' ' 64' ' ' MET . 6.9 m-20 -63.5 -44.03 95.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.881 -0.6 . . . . 71.43 110.826 178.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.541 HD22 HD13 ' A' ' 57' ' ' LEU . 72.7 mt -64.2 -33.91 76.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.227 -0.442 . . . . 61.23 110.696 178.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.459 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 23.0 t -70.82 -24.47 62.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.666 0.269 . . . . 73.44 110.587 178.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.4 m -74.56 -41.58 60.28 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.466 -0.568 . . . . 63.43 109.466 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.702 HG23 ' HE2' ' A' ' 85' ' ' TYR . 85.9 mt -62.6 -39.39 84.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.39 -0.823 . . . . 74.31 109.524 172.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.484 ' O ' ' HB2' ' A' ' 87' ' ' SER . 2.3 tmtt? -54.39 -32.23 56.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.374 -0.83 . . . . 75.34 111.061 178.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 80' ' ' SER . 76.7 mt -62.25 -52.44 60.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 111.384 0.142 . . . . 54.54 111.384 -178.156 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.702 ' HE2' HG23 ' A' ' 82' ' ' ILE . 1.1 p90 -72.97 -31.91 64.86 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.45 -0.5 . . . . 74.21 110.167 -177.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 90' ' ' ILE . 76.1 t -65.02 -50.76 73.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 62.45 110.096 176.339 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.484 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 0.5 OUTLIER -58.54 -37.78 76.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.992 -0.549 . . . . 74.52 111.239 178.818 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.91 -42.74 80.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.033 0.444 . . . . 55.43 110.496 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.651 ' HA ' ' HA3' ' A' ' 93' ' ' GLY . . . -68.46 -27.17 65.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.785 -0.643 . . . . 71.54 111.53 -179.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 86' ' ' VAL . 93.4 mt -79.01 -31.74 14.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.096 0.474 . . . . 64.14 110.308 177.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.3 tttt -76.4 -43.27 41.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.836 -0.62 . . . . 74.51 109.628 -176.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 92' ' ' LYS . 38.1 tptt -170.19 75.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.8 -0.636 . . . . 75.14 110.388 170.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.651 ' HA3' ' HA ' ' A' ' 89' ' ' ALA . . . -146.51 -63.88 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.284 -0.96 . . . . 74.52 113.324 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -161.49 -51.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 71.35 110.736 -173.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.486 ' HG2' ' HA ' ' A' ' 49' ' ' PHE . 90.1 mtp -76.0 163.97 26.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.975 -0.557 . . . . 74.13 110.967 -177.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -128.09 -36.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.104 -0.498 . . . . 63.04 111.471 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.509 ' H ' ' HE1' ' A' ' 49' ' ' PHE . 91.1 m-20 -114.68 141.39 47.87 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.175 -0.466 . . . . 73.21 110.04 -177.082 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.57 ' OD1' ' HD2' ' A' ' 99' ' ' PRO . 0.4 OUTLIER -77.99 141.38 63.17 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.883 -0.599 . . . . 75.24 110.422 179.297 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.57 ' HD2' ' OD1' ' A' ' 98' ' ' ASP . 29.9 Cg_endo -65.28 -53.66 0.78 Allowed 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.622 2.215 . . . . 64.21 112.866 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.601 ' HA ' ' HB3' ' A' ' 103' ' ' PHE . 13.4 p90 -66.53 -25.0 66.46 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.969 0.414 . . . . 65.44 111.26 -172.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.546 ' O ' ' HD2' ' A' ' 101' ' ' LYS . 0.4 OUTLIER -63.91 -39.93 95.32 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.856 -0.611 . . . . 62.02 109.558 178.624 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.83 15.16 29.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.542 0.687 . . . . 64.12 109.764 -177.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.601 ' HB3' ' HA ' ' A' ' 100' ' ' PHE . 6.5 t80 -109.78 82.63 1.62 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.175 -0.92 . . . . 75.24 110.364 -175.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 81.86 39.01 12.33 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.004 -0.617 . . . . 64.11 112.448 178.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 49.6 tp -148.86 98.13 2.81 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.812 -0.44 . . . . 52.31 109.812 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -121.31 124.62 45.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.988 0.423 . . . . 73.01 110.263 -177.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -159.63 107.94 1.77 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.98 -0.748 . . . . 70.12 108.98 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -119.3 81.28 1.69 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.123 0.487 . . . . 74.55 110.784 -177.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 59.3 m80 52.62 -115.8 0.97 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 115.815 -0.63 . . . . 71.12 109.789 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -179.85 -33.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.86 -0.793 . . . . 74.21 108.86 172.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -109.19 96.52 6.36 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.7 -0.852 . . . . 73.44 108.7 172.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 . . . . . 0 C--O 1.246 0.884 0 O-C-N 124.125 0.891 . . . . 75.44 110.299 -173.183 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 121.075 0.464 . . . . 72.41 110.347 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -157.86 19.29 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.675 -0.693 . . . . 75.54 109.583 178.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -96.99 166.14 14.46 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.232 -0.894 . . . . 74.04 110.094 -173.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -66.45 111.25 2.03 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.484 2.122 . . . . 71.23 110.658 168.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m 69.13 82.74 0.16 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.807 -0.633 . . . . 75.24 111.441 -177.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -101.29 6.78 42.96 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.526 0.679 . . . . 72.1 110.21 173.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.699 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 5.0 m-85 -92.77 130.46 38.38 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 115.075 -0.966 . . . . 65.51 109.765 -177.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 8' ' ' LYS . 35.7 mtpt -96.48 -17.63 20.41 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.212 -0.449 . . . . 53.21 111.738 -177.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 t -146.77 170.78 16.28 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.751 -0.379 . . . . 65.22 111.378 -172.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.467 ' O ' HG23 ' A' ' 14' ' ' VAL . 43.4 p90 -61.35 -37.77 84.54 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.893 -0.594 . . . . 75.43 111.101 -176.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -63.27 -25.27 68.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.847 0.356 . . . . 75.14 110.906 -177.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.699 ' HB2' ' HB3' ' A' ' 7' ' ' PHE . 42.2 m-20 -80.53 -45.67 17.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.166 -0.47 . . . . 74.41 110.617 177.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -63.64 -48.37 77.52 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.665 -0.698 . . . . 72.54 110.93 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 10' ' ' PHE . 90.8 t -58.74 -41.28 82.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.972 -0.558 . . . . 72.41 110.665 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.05 -29.3 70.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.415 -0.357 . . . . 62.5 111.751 -176.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.2 t -82.66 -38.96 22.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.964 0.411 . . . . 52.03 110.746 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -76.72 -37.62 55.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.987 0.422 . . . . 70.32 110.811 -177.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 49.8 ttm -61.01 -28.97 69.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.736 -0.665 . . . . 72.23 111.486 -176.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -49.63 -35.98 22.95 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.061 0.458 . . . . 74.34 111.865 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.3 m -79.79 -39.57 30.58 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.179 -0.464 . . . . 73.22 110.966 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -69.3 -33.08 72.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 62.34 111.024 -177.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.6 p -66.85 -12.62 59.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.927 0.394 . . . . 62.34 111.323 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -76.78 -28.83 55.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.847 0.356 . . . . 71.33 110.471 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -107.88 13.04 26.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.461 0.648 . . . . 64.34 110.491 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.8 tp -115.31 135.73 53.84 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.99 -1.115 . . . . 52.4 107.99 173.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.429 ' CG ' HG22 ' A' ' 29' ' ' THR . 10.7 pt-20 -60.24 146.29 44.27 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 109.715 -0.476 . . . . 75.24 109.715 176.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.8 mm -68.96 -27.55 35.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 116.017 -0.538 . . . . 73.0 110.437 -175.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.01 -48.21 63.67 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.182 -0.533 . . . . 62.41 112.76 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.429 HG22 ' CG ' ' A' ' 26' ' ' GLU . 7.6 t -79.3 -47.96 14.96 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 121.031 -0.268 . . . . 74.32 110.99 -179.299 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -51.07 -45.89 61.57 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.322 0.49 . . . . 70.11 112.322 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -65.57 -21.71 66.62 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.986 0.365 . . . . 73.22 111.986 -174.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -69.49 -29.21 66.81 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.855 0.359 . . . . 61.15 111.27 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.502 ' HD2' HG21 ' A' ' 81' ' ' THR . 15.4 t60 -139.61 50.37 1.77 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.054 -0.721 . . . . 74.34 109.054 -174.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -89.32 -50.37 6.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.175 -0.92 . . . . 52.35 112.067 -170.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.5 m -103.57 2.81 33.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.901 0.381 . . . . 74.24 111.098 -174.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.1 m -62.07 -60.4 3.66 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.633 0.605 . . . . 74.25 112.633 -174.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -51.3 -38.68 54.2 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.731 0.641 . . . . 73.24 112.731 -171.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -66.98 -45.49 77.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.942 0.401 . . . . 74.33 111.271 -174.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -91.7 -30.96 16.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.86 -0.609 . . . . 74.12 112.191 -174.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -64.72 -24.64 67.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.232 0.539 . . . . 74.53 110.346 -178.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.434 ' HG2' ' CZ ' ' A' ' 10' ' ' PHE . 9.8 tptp -126.54 88.73 2.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.845 -0.616 . . . . 63.52 109.722 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.78 -4.73 52.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.775 -0.648 . . . . 61.41 110.657 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -125.07 -172.74 2.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.158 -0.474 . . . . 71.14 110.223 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 82.6 m 68.74 91.64 0.09 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.406 0.622 . . . . 73.24 111.324 -178.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -118.3 169.45 9.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.47 -0.786 . . . . 71.35 110.234 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.0 47.34 83.59 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.783 -0.722 . . . . 53.43 111.765 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.5 tt -93.93 112.15 23.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.9 0.381 . . . . 64.14 110.135 -176.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -96.47 176.14 6.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.879 -0.601 . . . . 60.34 110.184 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -58.02 -33.33 68.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.609 -0.723 . . . . 61.13 112.17 -176.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -67.05 -9.81 43.19 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.241 0.459 . . . . 74.12 112.241 -177.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -90.05 -23.51 21.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 73.43 110.856 177.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -99.35 90.86 4.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.295 0.569 . . . . 62.22 109.847 -177.102 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.435 ' O ' HD23 ' A' ' 57' ' ' LEU . 38.7 p -126.73 175.18 8.18 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.738 -0.665 . . . . 65.43 110.227 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.456 ' HB2' ' HB3' ' A' ' 102' ' ' ASP . 7.6 tm-20 -59.45 -35.46 74.09 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.394 -0.595 . . . . 71.41 109.394 173.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -57.48 -43.55 84.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.462 -0.79 . . . . 71.42 110.081 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -62.61 -47.56 83.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.635 -0.711 . . . . 75.52 110.782 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 53' ' ' THR . 4.4 mm? -59.75 -42.88 94.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.98 0.419 . . . . 53.34 110.579 178.211 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -61.68 -48.66 79.81 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.696 -0.684 . . . . 55.12 110.665 177.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -61.99 -41.39 98.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.718 -0.673 . . . . 74.34 111.199 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -65.74 -36.14 82.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.953 -0.567 . . . . 74.33 109.902 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 49.8 tp -62.14 -48.78 78.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.019 -0.537 . . . . 62.22 110.532 175.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 77.5 mt -60.25 -47.82 90.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.572 -0.74 . . . . 63.0 110.545 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -57.19 -39.76 76.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.936 -0.575 . . . . 72.35 110.529 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.46 ' HG2' ' HB2' ' A' ' 75' ' ' ALA . 7.5 tpp -65.0 -57.06 9.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.703 -0.681 . . . . 61.11 110.766 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -65.22 -38.14 89.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.847 -0.615 . . . . 63.54 110.812 -173.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -78.32 -63.36 1.42 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.813 -0.63 . . . . 65.41 111.286 -178.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 56.0 m -80.23 -46.01 17.01 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.603 0.594 . . . . 51.21 112.603 -173.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 73.8 mt -94.06 4.8 53.38 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.752 0.279 . . . . 73.15 111.752 -171.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 18.0 t 67.43 -164.77 0.21 Allowed 'General case' 0 CA--C 1.535 0.379 0 O-C-N 123.429 0.455 . . . . 65.4 110.198 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 73.27 -173.2 0.14 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.05 0.54 . . . . 71.14 110.625 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -126.78 -172.79 2.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.229 -0.441 . . . . 75.13 110.829 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -55.66 -38.43 69.58 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.947 -0.57 . . . . 74.55 111.856 -177.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.2 m -55.04 -44.71 74.93 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.773 0.32 . . . . 62.22 111.432 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.3 m -77.8 -28.17 50.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.225 0.536 . . . . 71.13 111.047 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.46 ' HB2' ' HG2' ' A' ' 64' ' ' MET . . . -71.97 -43.24 65.47 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.41 -0.359 . . . . 71.51 110.707 177.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -62.2 -44.48 96.49 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.008 -0.542 . . . . 61.31 111.48 -176.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -26.81 68.64 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.681 0.276 . . . . 74.34 111.011 -179.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -77.32 -49.69 14.44 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 121.036 0.446 . . . . 62.13 110.297 175.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 75' ' ' ALA . 96.3 mt -59.08 -31.18 68.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.378 -0.828 . . . . 61.52 111.465 -178.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.577 ' HA ' ' HB3' ' A' ' 83' ' ' LYS . 69.8 m -59.38 -28.78 67.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.087 -0.506 . . . . 72.42 112.227 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.502 HG21 ' HD2' ' A' ' 33' ' ' HIS . 74.7 p -66.83 -44.33 81.39 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.52 -0.472 . . . . 75.0 110.756 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.5 mt -71.17 -36.82 64.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 75.2 109.596 174.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.577 ' HB3' ' HA ' ' A' ' 80' ' ' SER . 76.5 tttt -53.56 -47.97 69.56 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.469 -0.787 . . . . 74.31 111.78 178.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.524 HG12 ' O ' ' A' ' 80' ' ' SER . 44.7 mm -55.52 -41.3 62.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.493 0.187 . . . . 74.24 111.19 -177.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -70.58 -48.14 56.75 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.696 -0.401 . . . . 63.34 110.093 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.656 ' O ' HG13 ' A' ' 90' ' ' ILE . 79.5 t -59.88 -54.97 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.974 -0.557 . . . . 74.21 110.769 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.816 ' HA ' HD12 ' A' ' 90' ' ' ILE . 2.3 m -55.41 -44.28 76.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.785 -0.643 . . . . 75.33 111.583 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.02 91.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.811 0.339 . . . . 63.22 110.607 177.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.06 -24.7 67.8 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.163 -0.471 . . . . 72.33 111.406 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.816 HD12 ' HA ' ' A' ' 87' ' ' SER . 76.1 mt -64.53 -53.05 47.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.361 178.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -77.33 -29.12 53.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.708 -0.678 . . . . 71.24 110.509 -178.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -66.18 -43.31 87.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.993 -0.549 . . . . 61.53 110.754 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 134.92 50.69 0.08 OUTLIER Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.128 -1.034 . . . . 40.31 113.915 175.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -140.78 -70.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 117.001 0.4 . . . . 73.2 110.675 172.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.479 ' HG3' HG13 ' A' ' 86' ' ' VAL . 81.7 mmm -65.29 140.15 58.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.01 0.433 . . . . 73.42 110.817 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -75.13 -48.41 23.86 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.748 -0.66 . . . . 70.45 111.076 -176.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -146.78 158.69 43.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.021 -0.536 . . . . 75.55 111.146 -173.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.05 142.1 87.23 Favored Pre-proline 0 N--CA 1.45 -0.474 0 CA-C-N 115.519 -0.764 . . . . 73.43 110.239 178.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.06 -36.07 2.73 Favored 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 122.458 2.105 . . . . 64.33 112.536 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.788 ' HA ' ' HD2' ' A' ' 103' ' ' PHE . 51.2 p90 -74.95 -17.85 60.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.563 0.697 . . . . 75.25 110.843 -178.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.422 ' HE3' ' HB3' ' A' ' 101' ' ' LYS . 0.6 OUTLIER -71.89 -25.22 61.84 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.228 -0.897 . . . . 74.44 110.404 179.202 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.456 ' HB3' ' HB2' ' A' ' 54' ' ' GLU . 33.4 t70 -95.22 7.24 46.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.97 -0.559 . . . . 70.44 111.381 -173.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.788 ' HD2' ' HA ' ' A' ' 100' ' ' PHE . 5.7 m-85 -71.88 78.89 0.88 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.652 0.612 . . . . 44.04 112.652 -177.098 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 79.16 -90.43 1.21 Allowed Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.028 -0.987 . . . . 64.43 113.764 167.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 56.1 tp 61.13 94.06 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.368 0.687 . . . . 75.42 110.129 -169.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -113.76 122.78 48.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.185 0.517 . . . . 73.12 112.223 -173.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -169.55 114.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.349 -0.841 . . . . 64.01 109.293 174.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 39.4 m170 -116.66 136.7 52.75 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.372 0.606 . . . . 73.45 112.031 -176.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -146.97 101.82 3.46 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.807 -1.088 . . . . 70.24 108.9 173.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 36.5 t60 -147.59 -89.39 0.09 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 111.812 0.301 . . . . 72.43 111.812 -176.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 59.38 -78.86 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 O-C-N 123.52 0.512 . . . . 65.45 109.854 -167.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 . . . . . 0 C--O 1.247 0.963 0 N-CA-C 109.003 -0.74 . . . . 73.04 109.003 174.325 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.813 0.34 . . . . 65.24 110.559 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -91.69 -0.4 57.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.447 -0.342 . . . . 55.14 110.893 -175.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -101.2 137.16 19.62 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 109.395 -0.594 . . . . 73.33 109.395 -177.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.457 ' HD2' ' CZ ' ' A' ' 7' ' ' PHE . 20.9 Cg_exo -69.2 -26.85 29.79 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.851 2.367 . . . . 65.12 111.742 175.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 m 61.98 18.54 9.98 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.137 -0.938 . . . . 74.13 112.552 173.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -102.36 3.49 37.98 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.274 0.559 . . . . 53.11 111.699 -177.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.457 ' CZ ' ' HD2' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -100.06 134.75 42.52 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 121.787 0.803 . . . . 72.32 111.948 177.464 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.427 ' H ' ' HG2' ' A' ' 8' ' ' LYS . 18.8 pttm -95.49 -36.03 11.46 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 113.796 -1.547 . . . . 74.45 111.218 -176.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.46 ' CB ' ' HA3' ' A' ' 46' ' ' GLY . 49.5 m -126.24 169.29 13.02 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.376 0.51 . . . . 60.21 112.376 -168.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -56.28 -43.47 78.85 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 115.416 -0.811 . . . . 75.52 111.952 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.3 p80 -65.47 -25.54 67.54 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.775 -0.37 . . . . 64.12 111.243 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.429 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 22.5 m-20 -81.1 -46.19 15.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.09 0.472 . . . . 70.11 110.107 176.24 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.431 ' CD1' ' HD1' ' A' ' 85' ' ' TYR . 61.0 t80 -60.44 -52.59 64.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.558 -0.746 . . . . 64.22 110.992 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.7 t -61.02 -33.78 57.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.242 -0.435 . . . . 71.44 110.811 -177.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.97 95.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 72.13 110.821 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.0 t -79.46 -38.95 33.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.235 -0.438 . . . . 60.23 110.684 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -72.05 -38.11 69.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.426 -0.352 . . . . 53.31 110.792 -176.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 35.7 tpp -60.1 -38.81 84.05 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.754 -0.461 . . . . 75.22 109.754 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.542 ' HD3' ' O ' ' A' ' 19' ' ' LYS . 1.7 tmtp? -73.61 -22.66 59.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.645 -0.707 . . . . 74.32 110.109 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.9 m -63.39 -56.42 16.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.357 -0.383 . . . . 52.03 110.812 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -88.15 -3.27 58.9 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 120.808 -0.357 . . . . 75.42 111.365 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.841 ' HA ' ' HB2' ' A' ' 25' ' ' LEU . 43.2 t -56.03 -18.78 10.41 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.302 -0.408 . . . . 71.41 111.022 173.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -51.82 -35.88 45.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.984 -0.553 . . . . 73.41 111.047 175.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.3 mtt-85 -112.64 8.43 19.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.256 -0.429 . . . . 73.42 111.342 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.841 ' HB2' ' HA ' ' A' ' 22' ' ' SER . 3.8 mp -86.87 121.28 29.14 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.691 -0.485 . . . . 71.21 109.691 176.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -68.51 165.58 18.76 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.912 -0.585 . . . . 72.51 110.377 175.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.444 HG22 ' HD2' ' A' ' 31' ' ' ARG . 58.8 mt -61.03 -35.72 67.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.568 -0.742 . . . . 73.05 111.089 -175.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.52 -60.75 8.11 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-N 116.136 -0.484 . . . . 34.44 113.508 -177.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.7 t -66.99 -37.1 83.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.042 0.421 . . . . 72.1 111.387 -177.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -63.99 -45.91 86.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.58 -0.282 . . . . 54.44 111.543 -175.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.444 ' HD2' HG22 ' A' ' 27' ' ' ILE . 16.1 ptm180 -74.3 -20.28 60.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.709 0.29 . . . . 72.22 111.462 -176.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.83 -59.12 3.3 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.244 0.461 . . . . 71.01 112.244 -175.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -100.16 23.08 10.47 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.894 0.331 . . . . 53.41 111.894 -173.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -73.35 -48.37 34.81 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 121.014 0.435 . . . . 70.13 111.568 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 m -72.48 -22.56 61.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.021 -0.536 . . . . 51.04 111.888 -174.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.531 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 60.9 m -56.13 -60.34 3.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.83 0.347 . . . . 51.34 111.684 -175.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 54.0 ttp -72.03 -27.3 62.62 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.255 -0.43 . . . . 63.32 110.859 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 38' ' ' ARG . 8.7 mtt180 -72.05 -26.98 62.4 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.787 0.662 . . . . 72.2 112.787 -174.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 36' ' ' CYS . 59.1 pttt -72.38 -22.03 61.2 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.753 -0.779 . . . . 73.25 109.9 177.11 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -88.91 1.07 55.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.453 0.644 . . . . 74.31 110.095 177.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 24.6 ttpp -75.32 6.09 4.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.706 -0.679 . . . . 73.25 111.542 -175.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -100.11 9.13 43.31 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.466 0.651 . . . . 73.01 109.98 174.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -90.62 103.68 16.35 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.456 -0.942 . . . . 73.32 108.456 173.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.1 t -63.05 -37.41 87.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 75.21 111.155 -173.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -83.17 -157.09 0.21 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.154 0.502 . . . . 54.23 110.288 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.46 ' HA3' ' CB ' ' A' ' 9' ' ' SER . . . -169.96 -128.23 1.0 Allowed Glycine 0 N--CA 1.438 -1.229 0 C-N-CA 120.528 -0.844 . . . . 72.02 112.007 178.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.543 ' HG ' ' HB2' ' A' ' 51' ' ' GLU . 9.3 tt -169.67 127.76 0.93 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.035 -0.728 . . . . 60.2 109.035 -174.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -101.05 -177.57 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.621 -0.263 . . . . 73.33 111.029 -177.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -55.15 -37.35 66.87 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.299 -0.409 . . . . 74.22 112.006 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -72.92 -30.42 63.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.171 -0.468 . . . . 75.03 111.126 -177.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.543 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . 11.4 mp0 -86.49 -11.36 51.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.101 -0.499 . . . . 63.44 110.572 -176.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.449 ' CD1' ' HG3' ' A' ' 99' ' ' PRO . 0.8 OUTLIER -74.01 94.84 2.42 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.316 -0.624 . . . . 61.11 109.316 178.732 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.0 p -125.67 162.92 23.93 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.058 -0.519 . . . . 70.4 110.842 -177.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.47 -36.79 74.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 72.22 110.241 176.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -57.5 -42.92 83.68 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.145 -0.479 . . . . 64.22 111.248 -177.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.436 ' HD2' HD22 ' A' ' 57' ' ' LEU . 76.1 t80 -62.26 -51.6 67.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.828 0.347 . . . . 75.41 110.304 178.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.436 HD22 ' HD2' ' A' ' 56' ' ' PHE . 4.4 mm? -60.69 -45.06 95.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.783 -0.644 . . . . 71.22 110.974 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -65.01 -50.3 66.84 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.307 -0.86 . . . . 74.55 111.008 -177.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -64.21 -37.79 88.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.082 -0.508 . . . . 64.21 111.177 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.417 ' HD2' HD21 ' A' ' 79' ' ' LEU . 49.8 t80 -71.29 -37.23 71.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 73.43 110.368 -179.296 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.503 HD22 ' HZ ' ' A' ' 103' ' ' PHE . 49.1 tp -57.27 -53.4 58.5 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.163 -0.471 . . . . 74.14 110.14 175.106 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.9 mt -60.42 -48.69 87.35 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.459 0 CA-C-N 115.643 -0.708 . . . . 75.22 110.177 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -53.98 -41.7 68.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.101 0.477 . . . . 73.31 111.26 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.505 ' HE1' ' HB3' ' A' ' 78' ' ' ASN . 6.2 ttp -70.38 -40.89 73.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.922 -0.581 . . . . 75.22 111.723 -176.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.689 ' HA ' ' H ' ' A' ' 70' ' ' ASN . 21.9 ptmt -83.73 -24.69 31.06 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 111.825 0.306 . . . . 72.34 111.825 -178.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -93.88 -63.92 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.567 -0.288 . . . . 74.35 111.75 -175.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.3 m -79.24 -39.1 33.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.954 0.407 . . . . 71.42 111.042 -174.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 64' ' ' MET . 87.8 mt -88.74 -14.17 37.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.29 -0.414 . . . . 74.51 110.644 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 45.6 t 54.29 76.82 0.22 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.728 -0.669 . . . . 72.23 111.636 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.689 ' H ' ' HA ' ' A' ' 65' ' ' LYS . 4.1 m-20 -120.87 162.07 20.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.162 -0.472 . . . . 72.03 109.981 176.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.56 162.91 24.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.291 -0.413 . . . . 64.31 110.43 177.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.97 -47.3 85.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.263 -0.426 . . . . 62.13 110.877 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.4 m -66.85 -20.14 65.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.579 . . . . 63.55 111.514 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.9 m -83.54 -48.05 10.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.189 0.519 . . . . 72.0 110.238 178.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.46 -46.9 84.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.696 -0.684 . . . . 53.54 111.116 -178.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -59.88 -36.13 76.29 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.924 -0.58 . . . . 72.45 111.047 178.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -66.79 -41.4 87.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.113 0.482 . . . . 75.51 110.517 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.505 ' HB3' ' HE1' ' A' ' 64' ' ' MET . 8.3 t30 -70.03 -37.54 75.63 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.807 -0.633 . . . . 64.21 110.193 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.417 HD21 ' HD2' ' A' ' 60' ' ' TYR . 65.0 mt -65.18 -34.1 77.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.794 -0.639 . . . . 55.54 111.077 176.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.495 ' HA ' ' HB3' ' A' ' 83' ' ' LYS . 68.3 m -60.0 -21.74 61.69 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.373 -0.376 . . . . 75.01 111.831 177.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.2 m -73.09 -43.31 61.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 72.45 110.486 178.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.7 mt -70.9 -32.87 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.463 0.649 . . . . 65.5 109.279 174.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.495 ' HB3' ' HA ' ' A' ' 80' ' ' SER . 78.2 tttt -52.4 -38.85 60.0 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.031 -0.986 . . . . 75.21 111.933 175.101 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 50.1 mm -57.87 -37.9 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.363 . . . . 73.2 110.454 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.431 ' HD1' ' CD1' ' A' ' 13' ' ' PHE . 79.1 t80 -68.24 -50.45 53.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.319 0.58 . . . . 74.41 109.97 177.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 90' ' ' ILE . 48.2 t -58.75 -55.56 22.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 114.96 -1.018 . . . . 75.42 111.056 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 m -61.54 -35.36 77.53 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.047 -0.979 . . . . 53.23 112.128 -175.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.99 -36.38 75.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.962 0.411 . . . . 74.23 110.753 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.77 -25.62 61.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 74.44 111.17 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.59 HD13 ' HB3' ' A' ' 98' ' ' ASP . 66.6 mt -82.76 -33.08 10.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.06 0.457 . . . . 71.42 110.839 176.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -69.4 -45.29 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.822 -0.626 . . . . 64.2 110.133 -175.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -163.47 68.64 0.2 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.215 0.531 . . . . 60.03 109.736 172.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -136.29 -76.66 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.457 -0.878 . . . . 65.31 112.49 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -157.46 -40.82 0.07 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.743 0.306 . . . . 75.02 111.134 -175.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 83.5 mtp -73.16 137.47 45.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 73.23 111.267 -175.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -96.12 -47.27 6.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 74.35 110.638 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -107.55 157.82 17.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.123 -0.49 . . . . 61.43 109.952 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.59 ' HB3' HD13 ' A' ' 90' ' ' ILE . 3.5 p-10 -108.44 153.52 42.01 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 115.443 -0.799 . . . . 55.51 110.982 -175.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.449 ' HG3' ' CD1' ' A' ' 52' ' ' LEU . 73.9 Cg_endo -75.07 -20.07 17.08 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.644 2.229 . . . . 63.25 113.007 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.816 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 40.7 p90 -85.28 -5.68 59.3 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.431 0.634 . . . . 63.35 111.473 -176.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -61.57 -43.48 98.78 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.085 -0.962 . . . . 75.2 109.998 168.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.42 ' OD2' ' HA ' ' A' ' 106' ' ' GLU . 0.3 OUTLIER -105.7 6.83 32.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.315 -0.857 . . . . 71.23 111.009 -178.236 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.816 ' HB2' ' HA ' ' A' ' 100' ' ' PHE . 66.7 t80 -74.12 88.72 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.621 0.724 . . . . 74.02 110.194 -177.296 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.27 2.16 62.23 Favored Glycine 0 C--N 1.313 -0.699 0 CA-C-N 114.834 -1.075 . . . . 71.2 110.809 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 91.7 mt -141.22 68.73 1.34 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.79 -0.705 . . . . 64.33 109.22 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.537 ' CD ' ' H ' ' A' ' 106' ' ' GLU . 1.8 pm0 -67.14 102.73 1.07 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.613 0.72 . . . . 74.1 110.467 -177.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -136.01 -1.73 2.4 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.613 -1.176 . . . . 71.53 109.505 -175.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -66.02 95.38 0.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.754 -0.657 . . . . 74.15 110.751 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -158.39 15.56 0.2 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.985 -0.552 . . . . 62.41 109.911 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -79.85 -19.29 48.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.893 -0.594 . . . . 74.22 110.394 -177.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -94.76 112.91 24.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 74.54 110.28 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.273 -0.87 . . . . 70.01 108.755 176.917 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.484 1.261 0 CA-C-O 120.504 0.192 . . . . 72.51 110.892 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -65.66 -64.15 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.071 0.462 . . . . 74.15 110.418 -176.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -130.81 87.0 50.64 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.759 -0.655 . . . . 71.05 109.884 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -79.25 -164.56 0.28 Allowed 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.927 2.418 . . . . 73.32 113.246 -175.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.02 46.12 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.628 -0.715 . . . . 73.42 111.631 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -97.07 16.08 20.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.6 0.714 . . . . 64.42 110.103 -176.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -67.7 -177.94 0.85 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.184 -0.916 . . . . 73.23 111.257 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.669 ' HD2' ' HG2' ' A' ' 42' ' ' GLU . 3.5 ptpt -54.01 -38.46 65.14 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.987 -0.552 . . . . 70.51 110.955 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.538 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 32.0 t -162.08 164.91 27.84 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.855 -0.794 . . . . 71.21 108.855 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.563 ' O ' HG23 ' A' ' 14' ' ' VAL . 80.4 m-85 -63.44 -28.66 70.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.542 -0.299 . . . . 74.42 111.116 -178.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -64.61 -38.6 91.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 60.42 110.78 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -70.81 -35.23 72.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.415 0.626 . . . . 75.32 110.099 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -64.31 -39.22 93.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.349 -0.841 . . . . 72.03 110.09 174.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.638 HG11 ' HB ' ' A' ' 81' ' ' THR . 69.2 t -55.43 -47.87 77.74 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.165 0 CA-C-N 116.015 -0.538 . . . . 64.23 110.312 175.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.63 -44.09 93.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.399 . . . . 63.43 111.075 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.5 t -61.81 -40.89 96.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.959 -0.564 . . . . 64.13 110.992 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -75.72 -34.38 60.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.984 0.421 . . . . 71.01 110.238 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.68 ' HA ' ' CE1' ' A' ' 21' ' ' TYR . 39.0 ttm -64.7 -44.55 89.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.67 -0.695 . . . . 75.14 111.496 -175.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -65.8 -22.64 66.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.939 0.399 . . . . 73.11 110.501 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.3 m -76.73 -52.46 9.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.189 -0.459 . . . . 63.42 110.896 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.68 ' CE1' ' HA ' ' A' ' 18' ' ' MET . 3.8 p90 -80.46 0.83 31.82 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 120.766 -0.374 . . . . 74.55 110.76 -178.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.5 t -57.72 -25.35 60.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 73.44 110.828 175.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.3 mtm105 -67.71 -19.79 65.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.171 0.51 . . . . 75.55 110.87 177.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -108.76 13.23 25.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.814 -0.63 . . . . 73.44 110.088 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.614 ' HG ' HG23 ' A' ' 29' ' ' THR . 15.4 tp -127.05 141.4 51.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.311 -0.404 . . . . 71.22 110.361 -176.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' HB3' HG22 ' A' ' 29' ' ' THR . 0.5 OUTLIER -62.35 151.01 37.98 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.099 -0.5 . . . . 73.31 109.819 174.005 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.7 mt -67.29 -42.04 87.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 116.133 -0.485 . . . . 74.23 110.524 -177.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.67 -42.1 96.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.115 -0.564 . . . . 61.44 112.89 -177.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.614 HG23 ' HG ' ' A' ' 25' ' ' LEU . 7.8 t -78.08 -40.38 38.62 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 122.706 -0.291 . . . . 74.03 110.813 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.612 ' HE1' ' HG2' ' A' ' 18' ' ' MET . 88.3 t80 -56.06 -52.45 64.21 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.094 0.474 . . . . 71.52 110.324 173.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 31' ' ' ARG . 14.8 ttt-85 -55.08 -34.98 64.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.365 -0.834 . . . . 74.42 111.428 177.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -68.22 -16.99 64.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.497 -0.774 . . . . 61.34 112.241 -172.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -144.77 28.79 1.26 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.251 0.463 . . . . 75.21 112.251 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -90.87 -33.66 15.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.853 0.359 . . . . 73.01 111.756 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -80.67 -21.15 41.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.034 -0.53 . . . . 72.15 111.879 -174.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 63.4 m -51.37 -61.68 2.09 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 112.921 0.712 . . . . 65.32 112.921 -172.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -61.84 -36.35 80.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.481 -0.327 . . . . 74.15 111.525 -175.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.795 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -69.81 -47.85 61.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.151 -0.477 . . . . 54.3 111.164 -174.899 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -67.73 -30.36 69.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.14 -0.482 . . . . 61.45 110.583 -176.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -63.53 -31.25 72.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.783 -0.644 . . . . 75.43 110.476 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' HE2' ' HB3' ' A' ' 41' ' ' LYS . 48.7 mtpt 53.5 90.24 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.907 0.755 . . . . 71.44 110.119 -172.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.669 ' HG2' ' HD2' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -74.68 111.28 9.72 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.669 -0.696 . . . . 70.34 112.404 -170.856 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -107.68 14.47 25.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.232 -0.894 . . . . 63.53 108.895 169.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.9 t -62.55 109.17 1.3 Allowed 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.536 -1.211 . . . . 55.55 110.543 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -136.16 137.01 40.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.762 -0.654 . . . . 73.34 110.479 -176.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.66 10.65 32.6 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.87 -0.681 . . . . 53.12 112.458 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.515 HD23 ' HB2' ' A' ' 51' ' ' GLU . 1.2 tt -85.77 111.63 20.32 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.633 -0.506 . . . . 65.33 109.633 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.648 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 2.8 mp0 -83.28 -173.84 4.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.672 -0.24 . . . . 75.54 110.574 177.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.468 ' HB3' ' SD ' ' A' ' 95' ' ' MET . 92.5 m-85 -76.83 -47.73 20.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.956 0.407 . . . . 64.14 110.473 -176.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -81.55 2.74 27.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.819 0.342 . . . . 70.32 110.66 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.648 ' HG2' ' HB2' ' A' ' 48' ' ' GLN . 17.8 mm-40 -85.8 -14.38 45.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.356 0.598 . . . . 62.23 109.64 174.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.09 82.56 7.67 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.608 -0.886 . . . . 75.23 108.608 175.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.469 ' O ' HD23 ' A' ' 57' ' ' LEU . 26.6 p -121.54 179.12 4.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.782 -0.645 . . . . 62.13 111.706 -174.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 99' ' ' PRO . 59.0 mp0 -56.91 -36.41 70.14 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.468 -0.787 . . . . 62.34 110.664 176.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.35 -40.51 85.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.756 -0.656 . . . . 74.11 110.358 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -63.32 -46.43 86.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 64.32 110.222 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 53' ' ' THR . 4.3 mm? -57.23 -43.73 83.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.312 -0.404 . . . . 74.15 110.867 178.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -65.12 -50.48 65.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.19 -0.459 . . . . 74.15 110.838 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.05 -43.22 99.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.093 -0.503 . . . . 74.24 111.211 -178.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -68.95 -34.24 75.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.869 -0.605 . . . . 72.43 110.246 -178.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.662 ' HB2' HD11 ' A' ' 79' ' ' LEU . 52.5 tp -59.58 -51.12 71.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 74.12 110.11 174.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.3 mt -58.89 -46.54 91.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.28 -0.873 . . . . 72.51 110.853 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -61.7 -40.27 94.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.927 0.394 . . . . 75.01 110.671 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.579 ' O ' ' HB2' ' A' ' 68' ' ' LEU . 5.4 tpp -62.9 -45.76 91.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.694 -0.684 . . . . 64.12 110.675 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -76.77 -32.59 57.82 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.379 -0.828 . . . . 74.31 111.114 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -80.65 -64.43 1.19 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.327 -0.397 . . . . 74.23 111.715 -176.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.7 m -79.95 -46.84 16.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.523 -0.308 . . . . 71.3 111.799 -173.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.579 ' HB2' ' O ' ' A' ' 64' ' ' MET . 80.3 mt -74.7 -14.09 60.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.568 -0.287 . . . . 65.24 111.173 -176.134 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.1 t 68.58 20.67 8.28 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.27 0.557 . . . . 64.24 110.952 175.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -80.98 148.65 29.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.22 -0.445 . . . . 74.41 109.851 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.65 161.11 30.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.284 -0.416 . . . . 71.31 110.404 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.66 -52.59 55.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.013 -0.54 . . . . 71.44 110.798 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.546 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 13.6 m -64.14 -34.84 78.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.716 -0.675 . . . . 65.51 111.184 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.5 m -67.84 -39.5 83.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.11 0.481 . . . . 42.13 110.501 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.76 -33.46 75.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.989 -0.551 . . . . 71.4 110.332 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -62.0 -37.38 84.63 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.856 -0.611 . . . . 54.11 110.332 174.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 73' ' ' SER . 28.6 mmt180 -64.35 -45.42 87.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 73.21 109.815 176.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -63.5 -37.88 89.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.332 -0.849 . . . . 74.4 111.375 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.662 HD11 ' HB2' ' A' ' 61' ' ' LEU . 88.9 mt -71.72 -35.48 70.19 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.94 0.4 . . . . 70.23 110.732 177.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.591 ' O ' HG12 ' A' ' 84' ' ' ILE . 31.5 t -65.19 -25.53 67.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.977 -0.556 . . . . 71.32 111.391 -177.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.638 ' HB ' HG11 ' A' ' 14' ' ' VAL . 70.6 p -63.3 -49.83 72.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.099 0.476 . . . . 62.35 110.461 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.654 HG23 ' HE2' ' A' ' 85' ' ' TYR . 70.2 mt -63.55 -41.03 91.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.633 -0.712 . . . . 71.24 110.136 177.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 87' ' ' SER . 14.7 tmtt? -57.89 -31.77 67.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.536 -0.756 . . . . 75.02 111.241 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.591 HG12 ' O ' ' A' ' 80' ' ' SER . 45.3 mm -60.38 -51.82 68.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 C-N-CA 120.987 -0.285 . . . . 34.13 111.148 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.654 ' HE2' HG23 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -74.15 -34.75 63.94 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.567 -0.453 . . . . 74.11 110.349 -176.822 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 90' ' ' ILE . 69.8 t -64.21 -45.54 96.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.816 0.341 . . . . 73.0 110.123 177.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.487 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 0.6 OUTLIER -56.22 -34.58 66.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.933 -0.576 . . . . 63.11 111.082 177.082 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.36 -38.87 63.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 32.44 110.727 177.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.67 -24.68 64.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.981 -0.554 . . . . 64.11 111.468 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 86' ' ' VAL . 63.4 mt -81.18 -30.06 11.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.091 0.472 . . . . 73.01 110.085 175.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.01 -44.14 63.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.951 -0.568 . . . . 61.12 109.765 -176.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 92' ' ' LYS . 46.1 tptt -167.06 71.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.299 0.571 . . . . 74.23 110.267 174.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -140.0 -77.45 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.391 -0.822 . . . . 74.44 112.412 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -160.79 -35.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.782 0.325 . . . . 74.55 110.929 -177.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.468 ' SD ' ' HB3' ' A' ' 49' ' ' PHE . 88.8 mmm -66.67 121.57 15.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.156 -0.474 . . . . 72.14 111.07 -179.084 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -83.18 -41.78 18.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.757 -0.656 . . . . 64.51 110.628 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -116.32 164.36 14.64 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.297 -0.865 . . . . 74.41 111.241 -169.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.902 ' HB2' ' HB2' ' A' ' 101' ' ' LYS . 4.0 m-20 -95.41 143.86 26.83 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.203 -0.908 . . . . 71.11 111.462 -173.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.461 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 5.4 Cg_exo -81.92 -1.78 11.01 Favored 'Trans proline' 0 C--O 1.225 -0.146 0 C-N-CA 124.085 3.19 . . . . 54.22 111.685 173.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.665 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 29.8 p90 -128.3 25.56 5.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.497 1.142 . . . . 72.54 110.32 177.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.902 ' HB2' ' HB2' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -81.27 -38.13 27.36 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 113.3 -1.773 . . . . 74.42 110.385 -179.354 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -105.23 9.31 34.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 75.42 110.59 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.665 ' HB2' ' HA ' ' A' ' 100' ' ' PHE . 15.1 t80 -62.08 -62.94 1.43 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.043 -0.526 . . . . 72.53 111.2 -171.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -151.1 16.33 0.9 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.277 -0.963 . . . . 74.24 112.619 178.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' A' ' 107' ' ' HIS . 5.8 tt -129.23 95.15 3.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.068 0.461 . . . . 73.4 109.998 -177.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -95.31 59.32 2.19 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.618 0.723 . . . . 74.51 110.45 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.413 ' HB3' HD21 ' A' ' 105' ' ' LEU . 12.9 t-80 -132.43 24.49 4.45 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.168 -1.049 . . . . 75.32 108.168 177.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -103.1 104.51 14.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.795 -1.093 . . . . 75.11 110.435 -177.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -109.09 147.33 32.59 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.261 -0.427 . . . . 64.53 109.883 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -131.32 159.49 37.75 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.111 -0.495 . . . . 71.42 109.781 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -95.22 1.92 54.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.44 0.638 . . . . 72.15 109.896 173.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 . . . . . 0 C--O 1.25 1.083 0 CA-C-N 115.194 -0.912 . . . . 75.42 108.989 173.48 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tmm? . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 109.636 -0.505 . . . . 72.5 109.636 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -156.35 164.96 37.67 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.867 -0.79 . . . . 65.22 108.867 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.496 ' HB3' ' OG ' ' A' ' 16' ' ' SER . 3.0 m-20 -72.34 142.44 84.45 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-O 120.792 0.329 . . . . 72.31 111.028 -175.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 3' ' ' ASN . 92.0 Cg_endo -95.96 -165.61 0.1 Allowed 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 123.23 2.62 . . . . 71.13 112.83 -178.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -123.32 30.22 6.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.541 0.686 . . . . 72.44 109.38 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -87.28 4.83 41.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.281 -0.872 . . . . 75.4 111.997 -171.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -78.09 145.24 35.89 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 116.023 -0.535 . . . . 73.11 110.325 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -97.62 -21.25 17.15 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.608 -0.724 . . . . 65.0 111.336 -177.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.485 ' HB2' ' OD1' ' A' ' 12' ' ' ASP . 19.3 m -101.09 142.11 33.0 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.893 -0.594 . . . . 53.41 111.199 -173.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -58.57 -45.76 88.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.88 -0.6 . . . . 75.34 111.865 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.498 ' HB2' ' HA ' ' A' ' 38' ' ' ARG . 4.2 p80 -68.51 -21.53 64.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.832 0.349 . . . . 70.23 110.859 -177.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.485 ' OD1' ' HB2' ' A' ' 9' ' ' SER . 3.2 m-20 -81.67 -49.95 9.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.899 -0.591 . . . . 51.42 110.926 175.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.632 ' CD1' ' HB2' ' A' ' 85' ' ' TYR . 7.6 t80 -59.8 -47.19 86.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.656 -0.702 . . . . 73.2 110.617 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.7 t -59.52 -40.76 82.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.266 -0.425 . . . . 70.22 111.018 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.17 -38.51 91.33 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.96 0.41 . . . . 72.34 110.875 -178.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.496 ' OG ' ' HB3' ' A' ' 3' ' ' ASN . 23.2 t -74.5 -42.75 58.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.033 -0.53 . . . . 73.21 110.864 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -68.68 -34.67 76.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.019 0.437 . . . . 75.41 109.95 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.465 ' O ' ' HB2' ' A' ' 22' ' ' SER . 33.4 tpp -63.47 -36.39 83.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.819 -0.628 . . . . 73.15 109.909 176.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -69.41 -31.39 69.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.565 -0.743 . . . . 72.32 109.973 175.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.3 m -63.64 -57.13 11.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 73.43 111.418 -177.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -89.7 5.78 44.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.106 0.479 . . . . 72.5 111.289 -177.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.556 ' HA ' ' HB2' ' A' ' 25' ' ' LEU . 42.3 t -60.52 -10.42 5.02 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.841 -0.618 . . . . 75.22 111.445 173.217 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -55.66 -25.69 40.66 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.596 0.358 . . . . 74.34 111.874 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -118.14 19.56 13.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.983 0.421 . . . . 63.22 110.845 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.556 ' HB2' ' HA ' ' A' ' 22' ' ' SER . 4.3 mp -109.56 130.22 55.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.257 -0.429 . . . . 60.44 111.027 -178.169 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -70.02 157.75 36.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.811 -0.631 . . . . 74.35 110.888 174.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.403 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 40.8 mm -56.34 -39.07 58.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.977 -0.556 . . . . 63.12 110.806 176.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.504 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -51.05 -50.45 39.02 Favored Glycine 0 CA--C 1.519 0.333 0 CA-C-N 116.165 -0.47 . . . . 74.53 113.067 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 t -79.38 -37.87 36.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.967 0.384 . . . . 74.45 110.861 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -64.36 -46.28 84.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.487 -0.324 . . . . 54.21 111.327 -174.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.79 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 31.9 ptt180 -75.06 -23.74 58.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.742 0.306 . . . . 70.43 110.548 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.504 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 2.8 t60 -66.06 -16.3 63.8 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.285 0.564 . . . . 75.21 110.222 -178.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -144.58 46.17 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.443 -0.799 . . . . 74.42 109.509 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.79 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 26.0 tptp -78.43 -75.27 0.23 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.628 -0.714 . . . . 72.11 111.478 -175.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 4.0 m -105.53 -4.64 20.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.166 -0.47 . . . . 62.11 110.632 -175.15 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.7 m -51.14 -59.64 3.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.497 -0.774 . . . . 63.5 112.747 -172.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -64.9 -31.33 72.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.165 -0.47 . . . . 75.01 112.158 -175.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.498 ' HA ' ' HB2' ' A' ' 11' ' ' HIS . 41.4 ttt180 -77.2 -42.34 37.89 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.612 -0.435 . . . . 71.33 111.086 -175.223 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.442 ' HE2' ' HB3' ' A' ' 39' ' ' LYS . 50.1 mtpt -63.57 -70.47 0.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.899 -0.591 . . . . 71.01 112.127 -178.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.505 ' CE1' ' HG ' ' A' ' 68' ' ' LEU . 44.1 t80 -54.36 -43.98 71.81 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.255 -0.884 . . . . 75.21 111.875 -175.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -83.86 65.26 8.52 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.98 -0.748 . . . . 71.14 108.98 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.28 -25.4 65.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.029 -0.987 . . . . 74.13 113.079 -169.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -71.36 129.93 40.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.452 0.644 . . . . 73.41 111.882 -173.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 74.6 m -114.29 166.3 11.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.31 -0.859 . . . . 71.13 109.91 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.445 ' CD ' ' H ' ' A' ' 46' ' ' GLY . 0.2 OUTLIER 66.61 177.39 0.23 Allowed 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.564 0.54 . . . . 74.34 109.856 -178.127 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.445 ' H ' ' CD ' ' A' ' 45' ' ' GLU . . . 71.8 37.77 61.02 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.754 -0.736 . . . . 43.41 111.642 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -146.42 131.03 17.83 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.516 -0.55 . . . . 61.33 109.516 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.587 ' H ' ' HB2' ' A' ' 51' ' ' GLU . 2.9 tp60 -138.64 -170.32 2.81 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.005 -0.739 . . . . 64.12 109.005 178.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -82.44 -32.22 29.09 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.079 0.466 . . . . 70.24 110.878 -176.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -91.62 -2.59 57.03 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.104 0.478 . . . . 74.32 110.328 177.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.587 ' HB2' ' H ' ' A' ' 48' ' ' GLN . 40.8 mm-40 -81.1 -32.62 33.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.373 0.606 . . . . 71.3 109.539 173.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.448 ' HA ' HD22 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -84.04 87.22 7.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.25 -0.886 . . . . 72.21 109.362 -179.644 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.451 ' O ' HD23 ' A' ' 57' ' ' LEU . 27.1 p -128.34 -179.31 4.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.902 -0.59 . . . . 62.41 111.336 -176.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.693 ' CG ' ' HA ' ' A' ' 103' ' ' PHE . 4.1 tm-20 -61.12 -41.64 97.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 70.51 110.27 176.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.81 -44.35 81.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 65.21 110.295 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 57.2 t80 -63.16 -51.61 65.73 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.53 -0.759 . . . . 73.13 110.323 177.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.506 HD13 HD22 ' A' ' 79' ' ' LEU . 3.4 mm? -59.87 -42.67 94.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.478 -0.328 . . . . 54.11 111.656 -178.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.404 ' HD2' HH11 ' A' ' 58' ' ' ARG . 0.7 OUTLIER -60.08 -46.58 89.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.206 -0.452 . . . . 72.23 110.877 179.63 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -71.95 -37.07 70.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.058 0.456 . . . . 73.02 110.828 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 56' ' ' PHE . 7.1 t80 -69.27 -30.32 68.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.764 -0.653 . . . . 75.33 110.998 -175.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 58.8 tp -62.89 -48.8 77.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.219 0.533 . . . . 71.12 109.988 174.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 57.3 mt -62.03 -44.85 99.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.403 -0.817 . . . . 63.05 110.107 175.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -55.64 -40.65 72.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.808 -0.633 . . . . 74.51 110.94 177.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 10.2 tpp -64.68 -49.54 70.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.338 0.589 . . . . 72.21 110.244 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 7.3 tmtt? -63.33 -40.1 96.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.439 -0.8 . . . . 73.34 110.758 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -78.68 -64.29 1.21 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.299 0.481 . . . . 73.41 112.299 -177.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 46.3 m -78.14 -38.41 43.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 63.03 112.148 -169.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.505 ' HG ' ' CE1' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -83.31 -13.61 54.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.077 0.465 . . . . 73.55 109.841 179.219 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.4 t 60.28 37.83 20.15 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.671 -0.695 . . . . 41.41 110.045 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.433 ' O ' ' HA ' ' A' ' 65' ' ' LYS . 4.5 m-20 -101.38 156.3 17.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.791 -0.641 . . . . 72.43 110.308 178.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.08 169.29 16.05 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.421 -0.585 . . . . 75.03 109.421 174.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -32.5 74.19 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.928 -0.309 . . . . 61.22 110.288 -175.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.3 m -58.27 -46.64 85.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.132 0.491 . . . . 75.21 110.664 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -77.26 -37.11 53.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.856 -0.611 . . . . 73.03 110.647 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.72 -45.43 92.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.958 -0.564 . . . . 63.15 111.066 179.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -65.21 -36.73 85.08 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 116.285 -0.416 . . . . 74.23 110.888 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -68.18 -39.91 82.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.806 0.336 . . . . 51.43 110.126 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.418 ' O ' HG13 ' A' ' 82' ' ' ILE . 9.4 t-20 -62.38 -43.49 98.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.06 -0.518 . . . . 65.11 110.01 177.142 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.528 HD23 HD12 ' A' ' 82' ' ' ILE . 73.7 mt -66.04 -30.25 70.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.9 -0.591 . . . . 64.0 110.761 176.197 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.6 m -69.05 -39.37 79.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.542 -0.299 . . . . 75.22 110.894 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.6 p -69.84 -26.29 64.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.982 0.42 . . . . 75.21 110.51 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.528 HD12 HD23 ' A' ' 79' ' ' LEU . 79.3 mt -72.92 -38.07 55.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.634 -0.506 . . . . 64.43 109.634 172.468 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.449 ' O ' ' HB2' ' A' ' 87' ' ' SER . 46.5 tttm -59.97 -29.72 68.62 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 116.099 -0.5 . . . . 65.02 110.508 177.023 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.7 mm -54.2 -49.64 61.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 121.39 -0.124 . . . . 71.02 111.229 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.632 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -74.4 -33.15 62.94 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 120.606 -0.438 . . . . 75.32 110.358 -178.008 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 90' ' ' ILE . 89.0 t -67.4 -47.08 82.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.242 0.544 . . . . 73.31 110.434 177.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.459 ' HA ' HD12 ' A' ' 90' ' ' ILE . 0.4 OUTLIER -63.93 -36.8 85.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.351 -0.841 . . . . 73.42 110.997 178.803 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.89 -39.06 90.28 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.22 0.533 . . . . 72.12 110.117 174.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.583 ' HB1' ' HB3' ' A' ' 94' ' ' TYR . . . -66.33 -24.48 66.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.648 -0.706 . . . . 73.12 111.281 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 86' ' ' VAL . 81.7 mt -66.22 -45.87 88.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.955 0.407 . . . . 64.33 109.994 175.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt -68.6 -32.2 71.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.956 -0.565 . . . . 75.21 111.003 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.474 ' O ' ' HD3' ' A' ' 92' ' ' LYS . 12.3 tmtt? -66.24 -35.38 80.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.24 0.543 . . . . 71.2 109.718 176.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.26 11.86 28.52 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.843 -0.694 . . . . 70.12 111.696 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.583 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 13.4 t80 -85.98 -49.17 8.03 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.734 -0.469 . . . . 72.51 109.734 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.508 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 95.7 mmm -98.41 134.95 40.69 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.709 -0.678 . . . . 61.23 109.776 176.13 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -73.42 -45.32 55.21 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.245 0.545 . . . . 72.54 109.984 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -150.18 175.17 12.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.305 -0.861 . . . . 52.42 109.037 176.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 101' ' ' LYS . 1.5 p30 -83.86 156.66 64.25 Favored Pre-proline 0 N--CA 1.445 -0.683 0 N-CA-C 109.946 -0.391 . . . . 52.34 109.946 177.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.01 -6.82 20.07 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 122.618 2.212 . . . . 60.31 112.75 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.723 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 97.3 m-85 -85.62 -19.14 31.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.341 -0.39 . . . . 71.21 110.582 -178.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 12.9 mmtt -47.75 -51.65 21.44 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.66 -0.7 . . . . 72.14 112.229 172.351 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -110.55 9.2 23.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.257 0.551 . . . . 72.41 110.32 -175.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.723 ' HB2' ' HA ' ' A' ' 100' ' ' PHE . 85.9 t80 -56.53 -58.81 6.44 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.398 -0.819 . . . . 63.43 111.425 -176.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -98.31 -59.88 0.92 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.619 -0.8 . . . . 62.05 111.339 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.6 pp -161.7 129.35 4.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.99 0.424 . . . . 74.03 110.219 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.87 -68.86 0.61 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.163 -0.68 . . . . 75.31 109.163 173.279 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -157.29 -30.12 0.08 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.222 -0.444 . . . . 75.04 111.639 176.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 61.91 -165.08 0.23 Allowed 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 109.323 -0.621 . . . . 72.51 109.323 -169.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -171.32 108.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.518 -0.473 . . . . 75.13 110.918 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -66.07 118.08 9.32 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.567 -0.531 . . . . 74.42 109.567 175.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -132.24 21.87 4.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.39 -0.368 . . . . 63.1 111.848 -173.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.594 -0.717 . . . . 74.43 109.81 176.09 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.5 mtt . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.61 0.243 . . . . 73.04 110.638 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -130.55 80.83 1.97 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.648 -0.251 . . . . 54.22 110.562 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.7 t30 50.76 81.82 0.25 Allowed Pre-proline 0 N--CA 1.47 0.542 0 O-C-N 123.875 0.734 . . . . 63.44 111.325 -177.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -78.14 142.41 19.31 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.507 2.138 . . . . 70.22 112.145 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 t -79.0 77.72 5.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.378 0.609 . . . . 52.43 109.377 177.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -135.6 14.18 3.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.762 0.791 . . . . 52.42 110.154 -176.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -73.72 121.0 20.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.038 -0.983 . . . . 73.15 110.158 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -92.52 -6.59 49.4 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.004 -0.543 . . . . 65.53 111.083 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.941 ' HB3' ' HA ' ' A' ' 44' ' ' CYS . 13.6 p -144.55 150.34 37.35 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.456 -0.793 . . . . 70.42 110.668 -178.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.543 ' CE1' HG12 ' A' ' 82' ' ' ILE . 5.4 p90 -70.48 -26.7 63.74 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.776 -0.453 . . . . 64.3 109.776 177.263 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.417 ' HD1' ' CD ' ' A' ' 45' ' ' GLU . 20.7 m80 -58.57 -39.36 80.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.98 -0.555 . . . . 70.02 110.472 175.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.521 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 19.4 t70 -79.59 -39.78 30.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.825 0.345 . . . . 74.21 110.169 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -57.36 -52.55 64.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.699 -0.682 . . . . 72.34 110.982 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.664 HG11 ' HB ' ' A' ' 81' ' ' THR . 84.1 t -61.08 -41.69 90.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.394 . . . . 65.43 110.751 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.94 -38.55 82.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 65.01 111.204 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.9 t -74.4 -40.96 61.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.457 -0.338 . . . . 64.55 110.737 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.485 ' O ' ' HB ' ' A' ' 20' ' ' THR . 63.3 t80 -68.85 -37.76 79.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.114 0.483 . . . . 74.51 110.273 179.156 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.732 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 41.9 ttm -69.12 -33.46 73.51 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.546 -0.539 . . . . 74.24 109.546 176.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -64.99 -32.0 73.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.372 -0.831 . . . . 64.13 109.827 173.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.485 ' HB ' ' O ' ' A' ' 17' ' ' TYR . 88.9 m -59.48 -51.87 68.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.705 -0.68 . . . . 64.2 111.43 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.732 ' CE2' ' HA ' ' A' ' 18' ' ' MET . 47.7 p90 -87.65 -2.36 58.56 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 120.147 -0.621 . . . . 73.24 110.915 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.629 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 38.7 t -68.73 -10.64 57.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.061 -0.518 . . . . 52.45 110.773 174.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -65.59 -28.57 69.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.315 -0.402 . . . . 75.32 111.235 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.442 ' C ' ' HD2' ' A' ' 24' ' ' ARG . 4.5 ppt_? -113.03 3.93 16.42 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.794 0.664 . . . . 72.1 112.794 -172.263 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.629 ' HG ' ' HA ' ' A' ' 22' ' ' SER . 2.7 pp -110.37 159.39 17.49 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.3 0.571 . . . . 75.12 111.387 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -71.81 148.12 46.55 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-N 115.135 -0.939 . . . . 71.12 109.283 169.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.8 mm -63.74 -25.43 38.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 116.088 -0.505 . . . . 74.33 111.114 -174.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -53.81 -46.5 67.7 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 121.333 -0.46 . . . . 65.42 113.777 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.7 t -73.3 -40.28 64.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 117.207 0.503 . . . . 70.3 110.94 -178.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.416 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 82.7 t80 -60.48 -53.42 57.7 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.0 0.428 . . . . 52.31 110.951 175.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.565 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 50.7 ttt180 -63.51 -28.02 69.66 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.685 -0.689 . . . . 61.3 111.874 -177.479 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 8.2 t-160 -52.4 -32.73 40.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.63 -0.714 . . . . 73.1 111.706 -176.208 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -134.16 24.14 3.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.38 0.61 . . . . 75.21 110.18 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.565 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 14.7 tmtt? -77.11 -41.13 43.26 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.098 -0.955 . . . . 73.22 111.492 -173.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.1 m -85.64 -28.91 24.45 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.215 -0.448 . . . . 72.54 111.222 -174.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.7 t -53.19 -62.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.923 -0.58 . . . . 64.33 111.942 -174.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -61.36 -34.45 75.33 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.482 -0.781 . . . . 73.51 112.362 -173.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.521 ' NH2' ' HA ' ' A' ' 12' ' ' ASP . 23.4 mmt180 -77.88 -26.64 49.33 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.795 0.295 . . . . 71.14 111.795 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -70.14 -11.87 61.2 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.889 0.376 . . . . 73.14 111.522 -174.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.561 ' HD1' ' HG2' ' A' ' 42' ' ' GLU . 6.5 t80 -63.69 -22.92 67.15 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.166 0.508 . . . . 70.35 109.797 176.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.7 tptm 70.56 27.96 3.69 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.273 -0.876 . . . . 75.5 111.975 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.561 ' HG2' ' HD1' ' A' ' 40' ' ' PHE . 10.4 mm-40 -77.95 144.06 37.11 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.662 -0.496 . . . . 73.41 109.662 173.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -89.87 -73.64 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.04 0.448 . . . . 64.11 111.033 -175.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.941 ' HA ' ' HB3' ' A' ' 9' ' ' SER . 70.9 m -145.22 87.02 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.253 -0.431 . . . . 73.4 110.955 -178.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.561 ' OE2' ' HB2' ' A' ' 9' ' ' SER . 2.8 pm0 -87.05 112.87 22.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.486 0.66 . . . . 70.11 110.347 176.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -115.75 69.76 0.27 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.997 -0.62 . . . . 64.11 111.861 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.635 ' H ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -96.65 164.31 12.65 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 111.824 0.305 . . . . 61.34 111.824 -177.158 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.4 ' HB3' ' H ' ' A' ' 49' ' ' PHE . 80.9 mm-40 -118.56 -164.33 1.02 Allowed 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 112.355 0.502 . . . . 70.33 112.355 -174.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.473 ' CD1' ' HE2' ' A' ' 94' ' ' TYR . 25.6 p90 -56.47 -43.53 79.68 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.576 0.954 . . . . 71.33 113.576 -168.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -79.62 -16.77 55.23 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.431 -0.508 . . . . 74.22 110.626 -175.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.442 ' CB ' ' HB2' ' A' ' 47' ' ' LEU . 5.6 mp0 -83.38 -39.11 21.11 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.472 -0.566 . . . . 73.04 109.472 176.164 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.454 HD23 HD21 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -83.55 83.46 7.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.435 0.636 . . . . 70.31 109.44 177.412 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -129.37 174.31 9.74 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.546 -0.752 . . . . 63.44 110.166 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.751 ' HG3' ' HA ' ' A' ' 103' ' ' PHE . 3.3 tm-20 -55.73 -40.66 72.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.969 0.414 . . . . 73.34 109.984 176.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -55.67 -39.41 70.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.541 -0.754 . . . . 63.25 111.315 177.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -68.58 -47.91 65.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.483 -0.326 . . . . 64.11 110.659 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.95 -43.15 86.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 64.44 110.38 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -65.92 -47.99 72.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.71 -0.677 . . . . 61.21 110.623 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.79 -44.47 93.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 51.13 111.134 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -61.99 -41.01 97.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.842 -0.617 . . . . 70.45 110.073 -179.1 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.4 tp -65.33 -48.49 72.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.537 -0.756 . . . . 60.31 111.112 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 76.2 mt -63.47 -46.2 95.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.936 -0.575 . . . . 42.45 111.04 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -57.94 -37.61 74.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.153 0.501 . . . . 75.43 110.647 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.725 ' HG2' ' HB2' ' A' ' 75' ' ' ALA . 14.7 tpp -58.63 -45.74 88.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.344 -0.844 . . . . 73.55 110.789 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 69' ' ' CYS . 12.7 tmtt? -79.59 -39.91 30.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.795 -0.638 . . . . 73.12 110.771 -177.028 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -73.33 -63.69 1.14 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.373 -0.376 . . . . 73.35 111.799 -175.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.5 m -79.98 -47.26 15.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.397 -0.365 . . . . 64.45 111.633 -174.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 64' ' ' MET . 88.7 mt -83.55 -18.36 38.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.583 -0.28 . . . . 73.04 111.127 -176.354 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 76.4 m 64.58 28.76 13.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.205 -0.452 . . . . 72.13 111.334 178.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.685 ' HB2' ' HG3' ' A' ' 64' ' ' MET . 4.1 m-20 -91.45 160.0 15.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.281 -0.418 . . . . 74.14 109.9 177.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.74 161.2 27.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.613 -0.267 . . . . 73.21 110.745 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -62.49 -36.48 82.64 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.443 -0.344 . . . . 64.33 110.087 178.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.579 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 14.8 m -56.85 -47.1 81.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.916 0.389 . . . . 71.1 110.483 177.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.7 m -60.71 -47.03 88.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.948 -0.569 . . . . 71.12 110.677 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.725 ' HB2' ' HG2' ' A' ' 64' ' ' MET . . . -61.04 -41.24 96.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.64 -0.709 . . . . 73.55 111.188 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -61.42 -34.0 74.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.96 -0.564 . . . . 63.51 111.544 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.579 ' HG2' ' O ' ' A' ' 73' ' ' SER . 14.9 mmt180 -69.28 -41.88 76.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.378 0.608 . . . . 65.0 109.887 177.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -62.74 -46.72 86.76 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.513 -0.767 . . . . 74.13 110.267 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.472 HD23 HD12 ' A' ' 82' ' ' ILE . 94.5 mt -66.21 -31.36 72.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.797 -0.638 . . . . 74.52 111.98 -178.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.539 ' O ' ' HB2' ' A' ' 83' ' ' LYS . 95.7 p -65.44 -22.36 66.75 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.136 -0.225 . . . . 73.0 111.577 -177.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.664 ' HB ' HG11 ' A' ' 14' ' ' VAL . 54.5 p -75.37 -40.2 58.32 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.449 -0.575 . . . . 72.4 109.449 176.192 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.543 HG12 ' CE1' ' A' ' 10' ' ' PHE . 66.9 mt -60.51 -32.66 51.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.602 -0.726 . . . . 72.41 109.982 176.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.539 ' HB2' ' O ' ' A' ' 80' ' ' SER . 31.0 mmtp -50.46 -44.64 55.69 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.696 -0.683 . . . . 73.21 111.364 175.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.3 mm -59.59 -44.45 93.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.54 -0.3 . . . . 63.42 110.747 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -65.67 -49.47 68.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.112 0.482 . . . . 63.51 110.253 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.523 ' O ' HG13 ' A' ' 90' ' ' ILE . 95.9 t -60.74 -51.67 70.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.403 -0.817 . . . . 50.22 110.598 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 m -59.1 -40.87 86.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.807 -0.633 . . . . 73.3 111.845 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.12 -38.03 89.35 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.064 0.459 . . . . 62.13 110.449 176.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.635 ' HA ' ' HA3' ' A' ' 93' ' ' GLY . . . -70.98 -24.26 62.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.812 -0.631 . . . . 63.43 111.247 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 86' ' ' VAL . 81.3 mt -81.62 -36.91 14.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 120.961 0.41 . . . . 72.34 110.394 176.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -68.36 -45.32 73.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.068 -0.515 . . . . 74.32 110.122 -178.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -163.82 64.71 0.16 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.995 -0.548 . . . . 52.2 110.185 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.635 ' HA3' ' HA ' ' A' ' 89' ' ' ALA . . . -136.16 -83.84 0.16 Allowed Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.248 -0.977 . . . . 44.43 112.928 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.473 ' HE2' ' CD1' ' A' ' 49' ' ' PHE . 32.2 t80 -161.4 -29.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.874 0.369 . . . . 63.15 110.88 -172.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.441 ' SD ' ' HA ' ' A' ' 49' ' ' PHE . 95.6 mmm -71.78 124.57 25.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 75.22 110.639 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -84.39 -42.18 15.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.492 -0.322 . . . . 74.5 111.552 -177.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -121.16 167.52 12.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.317 . . . . 51.05 110.782 -174.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.459 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 11.0 m-20 -87.33 142.2 33.16 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.856 -0.611 . . . . 64.41 110.231 178.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 5.6 Cg_exo -82.65 -35.57 0.3 Allowed 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.839 2.359 . . . . 71.13 112.47 176.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.475 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 39.0 p90 -80.45 -29.24 37.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.257 -0.429 . . . . 72.41 111.608 -174.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -47.05 -47.67 22.54 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 122.855 0.462 . . . . 74.32 112.23 175.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.7 ' HB3' ' HB2' ' A' ' 106' ' ' GLU . 10.1 m-20 -109.41 27.08 9.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.854 -0.612 . . . . 62.04 111.102 -175.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.751 ' HA ' ' HG3' ' A' ' 54' ' ' GLU . 49.0 t80 -71.8 82.27 0.89 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.766 -0.652 . . . . 74.32 109.55 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.36 -15.95 59.59 Favored Glycine 0 C--N 1.319 -0.383 0 CA-C-N 115.396 -0.82 . . . . 74.05 111.367 -177.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.621 ' HB3' ' HA ' ' A' ' 102' ' ' ASP . 46.2 tp -88.06 -16.7 32.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.521 0.677 . . . . 73.03 110.343 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.7 ' HB2' ' HB3' ' A' ' 102' ' ' ASP . 1.5 tm-20 -74.69 127.73 33.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.544 -0.753 . . . . 54.44 109.441 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -85.72 42.54 0.97 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.137 0.421 . . . . 60.14 112.137 -174.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 20.1 m170 69.72 90.84 0.09 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.539 0.685 . . . . 74.05 112.631 172.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -60.14 123.83 18.39 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.41 -0.959 . . . . 73.31 108.41 167.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -48.72 -40.24 27.73 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.371 0.419 . . . . 73.53 112.009 -172.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 177.07 -80.26 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.384 -0.969 . . . . 74.51 108.384 173.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 . . . . . 0 C--O 1.244 0.788 0 N-CA-C 108.998 -0.741 . . . . 73.14 108.998 173.192 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.439 ' CE ' ' HB3' ' A' ' 4' ' ' PRO . 81.2 mtp . . . . . 0 N--CA 1.484 1.255 0 N-CA-C 109.903 -0.406 . . . . 53.52 109.903 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -101.39 -62.17 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.109 0.48 . . . . 73.15 110.19 -178.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -137.24 85.29 22.2 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.74 -0.664 . . . . 74.15 110.363 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.855 ' HD2' ' HE1' ' A' ' 7' ' ' PHE . 76.8 Cg_endo -78.49 -4.9 14.55 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.759 2.306 . . . . 62.41 113.22 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 m 62.14 26.45 15.9 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.23 0.538 . . . . 73.3 110.853 -177.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -93.31 4.21 54.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.797 0.808 . . . . 71.42 110.174 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.855 ' HE1' ' HD2' ' A' ' 4' ' ' PRO . 0.3 OUTLIER -103.03 107.93 18.92 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.949 -1.023 . . . . 75.42 111.703 -176.383 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -102.28 -9.37 20.45 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.069 -0.969 . . . . 73.23 109.791 176.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.419 ' OG ' ' HA ' ' A' ' 45' ' ' GLU . 4.8 m -98.3 139.66 33.73 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 114.541 -1.209 . . . . 52.12 110.347 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.843 ' HE1' ' HB2' ' A' ' 44' ' ' CYS . 32.9 p90 -59.69 -42.41 92.91 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 120.503 0.192 . . . . 71.54 111.231 -177.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.677 ' HB2' ' HG3' ' A' ' 38' ' ' ARG . 8.7 p-80 -65.91 -28.28 68.82 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.995 0.426 . . . . 71.41 110.653 -178.625 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.444 ' OD1' ' HB3' ' A' ' 7' ' ' PHE . 5.0 t70 -80.85 -45.43 16.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.909 -0.587 . . . . 72.52 109.663 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -56.58 -51.43 68.63 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.061 -0.972 . . . . 61.34 110.213 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.558 ' O ' ' HB2' ' A' ' 18' ' ' MET . 88.9 t -57.16 -49.53 79.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.811 -0.631 . . . . 73.31 110.718 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.6 -30.86 67.56 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.84 0.311 . . . . 43.24 111.84 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.4 t -84.21 -51.55 6.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.808 0.337 . . . . 54.0 110.809 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -70.62 -30.59 67.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.334 -0.394 . . . . 70.22 111.242 -174.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.558 ' HB2' ' O ' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -63.2 -29.54 70.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.35 -0.386 . . . . 71.11 110.213 -178.607 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -60.11 -46.79 88.45 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.001 0.429 . . . . 74.12 110.401 176.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -62.41 -35.89 80.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.727 -0.67 . . . . 73.15 110.566 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -77.05 -29.37 55.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.815 -0.63 . . . . 75.14 110.362 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.595 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 43.3 t -67.82 -10.58 54.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.596 -0.729 . . . . 54.11 111.187 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.448 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 5.4 mmp_? -77.94 -10.77 59.75 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.131 0.491 . . . . 74.02 110.833 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -104.63 -23.01 13.15 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.775 -0.648 . . . . 74.32 112.062 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.595 ' CD1' ' HA ' ' A' ' 22' ' ' SER . 1.8 pp -113.89 171.58 7.5 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.075 0.464 . . . . 64.44 111.763 -176.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -75.4 154.3 37.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.567 -0.742 . . . . 73.34 110.194 176.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.1 mm -61.5 -36.01 70.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.071 -0.513 . . . . 74.32 110.478 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -63.17 -31.31 80.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.099 -0.572 . . . . 74.11 112.159 178.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.0 m -73.44 -49.35 27.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.069 0.462 . . . . 71.14 109.945 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.474 ' HB2' HD11 ' A' ' 25' ' ' LEU . 67.9 t80 -56.56 -51.75 67.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.353 -0.84 . . . . 72.35 110.815 177.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -65.49 -30.3 71.05 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.363 -0.835 . . . . 70.42 112.012 -176.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.439 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 8.4 t-80 -62.7 -34.99 78.28 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.08 -0.248 . . . . 74.3 110.683 -175.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.535 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 53.9 p-80 -151.82 77.58 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.628 0.728 . . . . 71.25 110.997 174.164 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -95.31 -42.82 8.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.221 0.534 . . . . 71.02 111.132 177.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.832 ' HB3' ' HB3' ' A' ' 38' ' ' ARG . 14.8 m -77.06 -54.41 6.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.748 -0.66 . . . . 73.1 111.029 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.535 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 61.8 m 53.95 -86.82 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.532 0.733 . . . . 44.33 112.128 -178.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -71.18 -36.09 71.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.05 0.452 . . . . 71.23 109.815 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.832 ' HB3' ' HB3' ' A' ' 35' ' ' SER . 32.7 ttt-85 -63.65 -33.73 76.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.453 -0.794 . . . . 64.11 109.85 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.48 -44.01 97.85 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 114.737 -1.12 . . . . 75.32 109.875 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.401 ' CE1' HD21 ' A' ' 68' ' ' LEU . 79.9 t80 -75.14 -44.21 48.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.705 -0.68 . . . . 70.14 110.426 177.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -153.98 110.81 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.024 0.916 . . . . 64.02 110.965 -177.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.413 ' H ' ' HG2' ' A' ' 42' ' ' GLU . 8.2 pt-20 -91.17 21.95 4.06 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.88 -1.055 . . . . 73.41 110.767 177.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -96.72 -165.08 1.22 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.646 -0.706 . . . . 71.55 109.742 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.843 ' HB2' ' HE1' ' A' ' 10' ' ' PHE . 83.0 m 68.63 98.57 0.06 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.615 0.721 . . . . 75.42 111.568 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.419 ' HA ' ' OG ' ' A' ' 9' ' ' SER . 3.4 tm-20 -114.71 117.17 30.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.036 -0.984 . . . . 74.32 109.502 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.8 92.87 1.93 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.767 -0.73 . . . . 55.2 112.67 -179.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.1 tt -126.52 118.79 25.63 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.371 -0.603 . . . . 71.24 109.371 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -96.76 -178.12 4.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.431 0.634 . . . . 62.2 111.758 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -67.02 -31.54 72.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.026 -0.988 . . . . 63.15 110.975 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -63.42 -32.11 73.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.503 -0.772 . . . . 71.43 110.603 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -80.34 -46.47 16.05 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.738 -0.665 . . . . 73.2 110.538 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.24 89.74 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.257 0.551 . . . . 73.42 109.616 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.7 p -134.74 166.54 22.72 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.862 -0.608 . . . . 53.04 111.09 -176.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -53.74 -38.83 64.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.928 -0.578 . . . . 62.12 110.715 176.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -59.33 -41.09 88.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.659 -0.701 . . . . 75.44 111.297 177.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -63.04 -48.01 80.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 60.22 110.092 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.45 -42.76 88.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.716 -0.674 . . . . 72.33 110.72 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.401 ' O ' HG13 ' A' ' 62' ' ' ILE . 31.4 ttt180 -66.31 -46.41 77.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.433 -0.349 . . . . 75.15 111.407 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.33 -40.38 96.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.853 0.358 . . . . 72.1 110.827 -176.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -68.54 -32.61 72.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.21 -0.45 . . . . 72.15 110.163 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.0 tp -65.33 -48.35 73.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.54 . . . . 74.33 110.559 175.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 58' ' ' ARG . 67.6 mt -60.18 -46.46 94.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.812 -0.631 . . . . 73.5 110.259 176.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -57.17 -40.44 77.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.349 0.595 . . . . 64.34 110.168 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.701 ' HG2' ' HB2' ' A' ' 75' ' ' ALA . 19.0 tpp -60.04 -42.62 94.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.4 -0.818 . . . . 62.23 110.963 178.152 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.547 ' O ' ' HA ' ' A' ' 69' ' ' CYS . 12.6 tmtt? -80.26 -38.92 29.97 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.82 -0.627 . . . . 74.54 110.698 -175.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -77.9 -65.38 0.98 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.231 -0.44 . . . . 74.24 111.685 -176.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.6 m -79.59 -45.1 19.8 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.014 -0.539 . . . . 71.42 111.653 -170.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.401 HD21 ' CE1' ' A' ' 40' ' ' PHE . 92.9 mt -85.62 -21.96 28.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.243 -0.435 . . . . 74.23 110.755 -178.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 50.8 m 59.81 77.79 0.3 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.739 -0.664 . . . . 62.11 111.537 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.438 ' H ' ' HA ' ' A' ' 65' ' ' LYS . 51.3 m-80 -142.12 157.4 44.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 73.43 109.95 178.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.46 168.2 19.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.353 -0.385 . . . . 72.51 110.459 177.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -62.11 -30.75 71.23 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.556 -0.293 . . . . 73.44 110.436 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.651 ' O ' ' HD3' ' A' ' 77' ' ' ARG . 8.4 m -57.03 -55.07 39.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.329 . . . . 62.11 110.465 178.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.2 m -62.96 -40.76 98.69 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.121 -0.49 . . . . 55.35 110.954 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.701 ' HB2' ' HG2' ' A' ' 64' ' ' MET . . . -65.93 -42.43 90.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.684 -0.689 . . . . 71.23 111.763 -177.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.433 ' HA ' ' OE1' ' A' ' 76' ' ' GLN . 12.8 mm-40 -63.16 -31.42 72.56 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 116.416 -0.356 . . . . 64.53 111.528 -177.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.651 ' HD3' ' O ' ' A' ' 73' ' ' SER . 11.6 mpt_? -60.16 -43.44 95.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.914 0.387 . . . . 74.21 110.367 174.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -67.29 -51.01 57.95 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.032 -0.531 . . . . 73.11 110.452 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.45 -33.4 74.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.52 -0.764 . . . . 41.41 111.256 -178.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.62 ' O ' HG13 ' A' ' 84' ' ' ILE . 16.1 t -66.5 -33.64 76.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.537 -0.301 . . . . 73.11 110.414 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.1 m -62.79 -41.83 99.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.365 0.602 . . . . 73.23 109.695 176.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.532 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 91.2 mt -65.27 -43.29 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.603 -0.726 . . . . 71.42 110.019 173.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.515 ' O ' ' HB2' ' A' ' 87' ' ' SER . 10.8 tmtt? -57.24 -33.92 68.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.097 -0.956 . . . . 72.43 110.939 -178.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.62 HG13 ' O ' ' A' ' 80' ' ' SER . 84.5 mt -61.02 -54.83 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 111.564 0.209 . . . . 75.41 111.564 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.532 ' CE2' ' HA ' ' A' ' 82' ' ' ILE . 14.4 p90 -73.96 -28.97 61.75 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 120.369 -0.532 . . . . 72.3 110.74 -173.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.545 ' O ' HG13 ' A' ' 90' ' ' ILE . 98.0 t -72.81 -40.7 61.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.27 -0.423 . . . . 44.31 110.299 176.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.515 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 0.6 OUTLIER -58.46 -36.55 73.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.051 -0.522 . . . . 73.31 111.828 -178.548 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.46 -44.41 76.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.061 0.458 . . . . 75.23 110.044 175.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.579 ' HA ' ' HA3' ' A' ' 93' ' ' GLY . . . -72.63 -22.96 60.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.408 -0.815 . . . . 61.5 111.338 178.088 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.757 HD13 ' HA ' ' A' ' 98' ' ' ASP . 81.0 mt -78.45 -45.2 26.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.152 0.501 . . . . 71.32 111.278 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.408 ' HD3' ' O ' ' A' ' 87' ' ' SER . 4.0 mptp? -78.56 -41.06 33.03 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.129 -0.487 . . . . 61.3 110.417 -174.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -149.82 71.13 1.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.46 0.648 . . . . 64.11 110.435 175.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.579 ' HA3' ' HA ' ' A' ' 89' ' ' ALA . . . -151.0 -90.37 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.361 -0.836 . . . . 64.13 112.795 175.266 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -143.88 -33.97 0.4 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.055 0.455 . . . . 73.25 110.854 -174.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.681 ' HB2' ' HA ' ' A' ' 90' ' ' ILE . 96.9 mmm -68.37 127.93 34.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.92 -0.582 . . . . 75.3 110.505 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.24 -48.02 45.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.087 -0.506 . . . . 64.51 111.374 -175.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -137.36 161.38 36.43 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.652 -0.499 . . . . 74.42 109.652 -175.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.757 ' HA ' HD13 ' A' ' 90' ' ' ILE . 4.0 m-20 -73.94 140.98 77.85 Favored Pre-proline 0 C--N 1.322 -0.605 0 O-C-N 123.481 0.488 . . . . 60.4 109.927 178.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 3.7 Cg_exo -78.79 -22.67 8.77 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.91 2.407 . . . . 74.02 113.552 -176.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.438 ' CD1' ' HB3' ' A' ' 98' ' ' ASP . 7.6 p90 -78.91 -9.07 59.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.114 0.483 . . . . 63.34 111.077 -175.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.8 -41.1 56.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.006 -0.997 . . . . 75.43 112.201 -177.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.636 ' HA ' ' HB2' ' A' ' 106' ' ' GLU . 27.2 t70 -106.81 -38.94 5.94 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.733 -0.387 . . . . 51.41 110.543 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 9.9 t80 46.91 32.95 2.0 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 114.962 -1.017 . . . . 71.45 112.41 174.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 92.05 65.51 1.13 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.573 -0.822 . . . . 74.01 112.054 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 49.2 tp 71.84 89.09 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 123.574 0.75 . . . . 73.13 111.253 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.636 ' HB2' ' HA ' ' A' ' 102' ' ' ASP . 4.0 tt0 -77.21 -82.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.313 -0.858 . . . . 73.14 110.08 175.094 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -146.06 12.41 1.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.417 -0.957 . . . . 61.53 108.417 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 55.19 61.97 2.69 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 114.918 -1.037 . . . . 55.24 110.277 -175.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -94.31 125.65 39.07 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.086 -0.709 . . . . 63.01 109.086 173.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -60.56 120.09 9.32 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.557 -0.535 . . . . 64.15 109.557 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -52.03 127.57 21.85 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.749 0.655 . . . . 72.23 112.278 -170.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 . . . . . 0 C--O 1.25 1.103 0 CA-C-N 114.926 -1.034 . . . . 73.11 108.848 175.063 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 110.237 -0.283 . . . . 72.53 110.237 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.515 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 28.6 t-20 -153.69 117.34 4.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.306 -0.407 . . . . 75.41 109.932 177.249 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -105.41 88.19 2.51 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.944 -0.571 . . . . 65.43 109.6 176.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.652 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 3.1 Cg_endo -79.48 89.1 1.38 Allowed 'Trans proline' 0 N--CA 1.449 -1.134 0 C-N-CA 122.589 2.192 . . . . 73.13 112.826 -171.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 p -99.66 21.45 12.34 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.165 -0.68 . . . . 74.42 109.165 172.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -84.88 3.6 37.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.169 -0.923 . . . . 74.03 111.461 -172.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.652 ' CZ ' ' HB2' ' A' ' 4' ' ' PRO . 0.6 OUTLIER -129.43 132.21 46.93 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.294 -0.867 . . . . 71.35 110.443 175.004 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.8 ' HE3' ' HB3' ' A' ' 45' ' ' GLU . 60.3 pttt -99.96 -10.69 21.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.545 -0.752 . . . . 70.11 110.983 -177.386 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.808 ' HB3' ' HA ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -83.77 142.87 30.37 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.934 -1.03 . . . . 75.45 111.579 -175.435 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.493 ' O ' HG23 ' A' ' 14' ' ' VAL . 31.9 m-85 -66.7 -49.78 64.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.074 -0.512 . . . . 70.43 112.073 -177.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -68.18 -22.39 64.83 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.214 0.53 . . . . 73.44 110.182 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.8 -44.38 20.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.207 -0.906 . . . . 73.31 110.697 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.515 ' HA ' ' CE1' ' A' ' 7' ' ' PHE . 37.2 t80 -65.54 -44.86 85.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.865 -0.607 . . . . 75.44 110.609 179.407 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 10' ' ' PHE . 71.0 t -57.82 -37.03 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 116.21 -0.45 . . . . 75.24 111.283 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.49 -35.11 76.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.96 0.409 . . . . 63.1 111.187 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 t -83.43 -36.14 24.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.235 -0.439 . . . . 74.21 110.234 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -63.54 -41.74 98.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.444 -0.343 . . . . 72.14 110.488 179.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.686 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 41.1 ttm -61.7 -46.82 88.06 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.599 -0.519 . . . . 70.34 109.599 176.101 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -54.36 -36.92 64.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.342 -0.845 . . . . 73.22 111.028 177.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 50.7 m -55.6 -49.67 72.16 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.845 -0.616 . . . . 55.3 111.844 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.69 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 29.2 p90 -88.65 -13.26 40.24 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 120.423 -0.511 . . . . 73.21 110.946 -179.31 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.9 m -68.72 -8.86 46.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.798 0.332 . . . . 72.12 111.144 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -61.87 -22.17 65.31 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.43 -0.35 . . . . 74.34 111.187 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.69 ' HG2' ' O ' ' A' ' 21' ' ' TYR . 16.8 ptm180 -95.72 4.86 52.6 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.18 0.514 . . . . 73.51 110.431 177.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.435 HD12 ' HG3' ' A' ' 24' ' ' ARG . 10.3 mp -111.8 172.07 7.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.706 -0.679 . . . . 75.44 109.934 178.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -80.65 156.44 26.36 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.696 -0.853 . . . . 75.51 108.696 167.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.42 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 47.8 mt -66.5 -31.42 53.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.808 -0.441 . . . . 73.23 109.808 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.456 ' HA2' ' HG2' ' A' ' 31' ' ' ARG . . . -61.16 -46.85 93.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.13 -0.557 . . . . 61.42 112.319 176.192 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.4 m -63.72 -35.97 82.33 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.483 0.659 . . . . 74.42 110.022 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -68.21 -53.81 22.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.232 -0.895 . . . . 74.44 111.374 177.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.885 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 9.5 ptm85 -63.71 -19.91 65.31 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 111.966 0.358 . . . . 64.35 111.966 -174.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -69.68 -22.06 63.46 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.971 0.415 . . . . 72.44 111.045 176.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -98.35 -26.3 14.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.147 0.975 . . . . 61.35 108.916 172.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.885 ' HB3' ' HA ' ' A' ' 31' ' ' ARG . 1.1 tmtp? -80.58 -21.1 41.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.042 -1.435 . . . . 71.13 110.989 -173.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 p -64.17 -38.66 91.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.329 -0.396 . . . . 71.01 110.835 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.2 m -61.74 -48.89 78.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.975 -0.557 . . . . 64.51 110.099 175.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 62.1 mtt -59.55 -40.87 88.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.203 -0.908 . . . . 65.31 111.303 177.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.558 ' HG2' ' HD3' ' A' ' 34' ' ' LYS . 3.9 mmt180 -63.46 -41.5 98.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.551 -0.295 . . . . 74.32 111.434 178.136 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -67.88 -46.91 70.33 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.169 -0.469 . . . . 73.24 111.25 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -68.09 -26.35 65.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.4 110.117 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt 75.02 125.86 0.04 OUTLIER 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.121 -0.945 . . . . 54.32 112.532 173.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -71.34 141.33 50.43 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.078 -0.965 . . . . 75.33 109.144 170.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -128.48 -84.05 0.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.106 0.479 . . . . 72.15 111.096 -174.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 8.7 p -178.55 -34.45 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.159 -0.928 . . . . 52.21 110.238 -174.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.808 ' HA ' ' HB3' ' A' ' 9' ' ' SER . 11.2 pt-20 -159.43 -171.06 3.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.808 0.337 . . . . 65.32 110.938 177.328 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.67 -116.99 0.71 Allowed Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.306 -0.717 . . . . 61.25 111.306 -178.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.451 ' C ' HD22 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -98.88 159.5 14.92 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.873 0.368 . . . . 71.21 110.131 177.447 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -120.22 -176.76 3.28 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.923 -0.58 . . . . 75.12 111.144 -174.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -60.6 -30.2 69.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.325 -0.852 . . . . 60.41 111.051 -178.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -58.83 -28.59 66.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.038 -0.983 . . . . 73.24 111.096 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -104.35 -11.03 17.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.561 -0.29 . . . . 74.03 111.12 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.405 HD21 HG21 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -71.97 86.74 1.01 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.343 -0.614 . . . . 60.13 109.343 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.41 ' O ' HD23 ' A' ' 57' ' ' LEU . 6.5 p -141.73 -178.06 5.48 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.713 -0.676 . . . . 52.34 111.082 -173.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.711 ' HG3' ' HA ' ' A' ' 103' ' ' PHE . 1.0 OUTLIER -50.17 -49.26 52.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.917 -0.583 . . . . 72.11 111.112 177.619 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.31 -33.67 75.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.788 -0.642 . . . . 75.12 111.27 -176.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.43 ' CE1' ' HG ' ' A' ' 47' ' ' LEU . 77.4 t80 -67.65 -51.6 48.08 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.181 -0.303 . . . . 73.52 110.181 178.22 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 53' ' ' THR . 4.5 mm? -59.29 -43.42 92.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.043 -0.526 . . . . 65.23 110.452 179.259 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.61 -46.07 91.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.689 -0.687 . . . . 75.54 111.137 178.495 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -69.3 -41.85 76.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 50.33 111.375 -178.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -69.85 -31.16 68.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.23 -0.441 . . . . 64.43 110.27 -177.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.0 tp -58.13 -52.54 65.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 60.5 109.802 173.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.0 mt -60.49 -49.15 85.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.42 -0.809 . . . . 75.32 110.965 179.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -56.25 -43.0 78.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.138 0.494 . . . . 72.32 110.884 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.454 ' O ' ' HB2' ' A' ' 68' ' ' LEU . 8.8 ttp -71.91 -42.07 67.17 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.04 0.448 . . . . 74.31 111.515 -178.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 2.9 tmtp? -69.48 -42.74 74.43 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.079 -0.51 . . . . 63.03 110.586 -178.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -90.84 -64.48 1.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.02 0.378 . . . . 73.24 112.02 -175.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.8 m -70.2 -41.94 73.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.933 0.396 . . . . 72.22 111.613 -173.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 64' ' ' MET . 79.2 mt -83.95 -11.41 56.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.43 -0.35 . . . . 74.31 110.072 178.355 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 73.4 m 58.11 38.85 26.51 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.717 -0.674 . . . . 71.35 111.761 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.483 ' O ' ' HA ' ' A' ' 65' ' ' LYS . 4.3 m-20 -100.36 160.2 14.52 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.798 -0.445 . . . . 74.25 109.798 175.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.28 161.58 21.41 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.12 -0.326 . . . . 61.42 110.12 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.12 -34.65 78.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.143 0.497 . . . . 73.04 110.063 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m -59.89 -34.62 73.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.39 -0.823 . . . . 73.35 110.091 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -81.88 -39.73 23.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.624 -0.716 . . . . 63.43 110.322 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.4 95.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.439 -0.801 . . . . 54.24 111.606 -178.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -56.18 -37.31 69.42 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.293 -0.412 . . . . 75.15 111.446 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 77' ' ' ARG . 5.0 mpt_? -63.57 -46.2 86.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.69 0.281 . . . . 72.44 110.816 177.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -71.54 -37.94 71.08 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.231 -0.441 . . . . 74.04 111.078 -176.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.55 -33.83 76.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.007 0.432 . . . . 72.03 110.666 177.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.636 ' O ' HG12 ' A' ' 84' ' ' ILE . 58.1 m -70.78 -19.69 62.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.973 -0.558 . . . . 62.23 112.274 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 71.4 p -62.71 -56.16 20.21 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.939 0.4 . . . . 74.31 110.727 -177.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.405 HG21 HD21 ' A' ' 52' ' ' LEU . 60.9 mt -64.81 -34.74 72.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.898 -0.592 . . . . 74.31 110.057 177.25 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 87' ' ' SER . 14.7 tmtt? -59.81 -34.52 73.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.39 -0.823 . . . . 63.23 111.127 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.636 HG12 ' O ' ' A' ' 80' ' ' SER . 46.0 mm -59.81 -44.94 95.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.739 0.304 . . . . 35.12 110.664 177.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -72.7 -42.21 64.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.7 0.286 . . . . 72.21 110.76 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 90' ' ' ILE . 92.2 t -62.95 -43.35 98.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.954 0.407 . . . . 70.3 110.317 178.387 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 2.7 m -63.12 -39.15 93.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.756 -0.657 . . . . 53.32 111.282 177.041 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.84 -32.07 72.34 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.198 0.523 . . . . 53.54 110.561 175.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.43 -22.34 64.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.422 -0.808 . . . . 63.55 111.321 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.65 ' HA ' ' O ' ' A' ' 95' ' ' MET . 67.5 mt -72.69 -36.94 54.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.283 0.563 . . . . 71.32 110.558 178.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -77.71 -43.15 31.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.667 -0.697 . . . . 73.42 111.013 -175.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -146.68 65.4 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.226 0.536 . . . . 72.41 110.172 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -154.83 -102.23 0.2 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.579 -0.82 . . . . 23.34 113.131 176.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -143.51 -43.43 0.28 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.734 0.302 . . . . 74.31 111.283 -172.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.65 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 98.2 mmm -63.29 110.12 1.79 Allowed 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.847 -0.615 . . . . 72.25 110.456 -175.08 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -93.14 -39.78 10.85 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.88 -0.6 . . . . 74.31 109.558 -177.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -114.94 111.42 21.13 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.484 -0.78 . . . . 64.12 109.889 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.615 ' HB3' HD11 ' A' ' 90' ' ' ILE . 2.4 p-10 -71.46 154.71 93.32 Favored Pre-proline 0 N--CA 1.447 -0.6 0 CA-C-N 115.296 -0.866 . . . . 54.03 111.517 -174.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 16.2 Cg_exo -68.44 -15.71 42.23 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.995 2.463 . . . . 64.23 113.465 -176.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.891 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 50.2 p90 -94.59 -16.71 22.99 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.522 -0.471 . . . . 74.2 111.591 -178.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -72.14 -20.56 61.59 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.038 -0.528 . . . . 70.11 110.683 171.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -121.94 17.94 10.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.613 0.72 . . . . 73.02 109.416 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.891 ' HB2' ' HA ' ' A' ' 100' ' ' PHE . 43.2 t80 -77.34 87.2 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.1 -0.955 . . . . 71.03 110.474 -174.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 91.24 29.46 12.47 Favored Glycine 0 C--N 1.314 -0.645 0 CA-C-N 115.582 -0.736 . . . . 50.22 112.324 175.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 81.9 mt -115.38 139.1 50.31 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.794 -0.447 . . . . 70.51 109.794 178.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.59 -69.33 0.21 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.95 -0.568 . . . . 74.54 109.621 175.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.469 ' O ' ' HB2' ' A' ' 108' ' ' HIS . 74.2 t60 54.23 -93.57 0.04 OUTLIER 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.129 -0.941 . . . . 62.53 110.737 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.469 ' HB2' ' O ' ' A' ' 107' ' ' HIS . 42.5 t-80 172.15 84.58 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.017 -0.734 . . . . 71.41 109.017 178.218 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -66.84 102.8 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.939 -0.763 . . . . 64.14 108.939 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -121.12 158.14 28.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.15 0.5 . . . . 75.53 112.122 -168.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -67.47 159.13 30.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.949 -1.023 . . . . 64.04 110.279 176.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 80.9 m80 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.413 -0.803 . . . . 75.15 110.591 179.66 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ttt . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.83 0.348 . . . . 70.42 110.693 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -96.7 97.66 9.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.371 0.605 . . . . 64.3 111.275 -174.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -79.51 149.78 72.29 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.409 -0.814 . . . . 75.31 109.397 171.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -44.53 -42.11 14.22 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.522 2.815 . . . . 75.42 113.825 -174.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m 59.54 23.08 11.72 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.547 0.689 . . . . 75.1 110.576 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -106.79 14.96 26.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.163 -0.926 . . . . 73.42 109.474 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.925 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 38.2 m-85 -66.34 133.52 50.7 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 114.423 -1.262 . . . . 43.42 110.395 -177.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.434 ' HG3' ' OD2' ' A' ' 12' ' ' ASP . 36.2 mttp -61.69 -35.51 78.2 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.016 -0.993 . . . . 64.32 111.953 -174.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.2 m -165.73 -175.25 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.693 -0.484 . . . . 74.21 109.693 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.52 ' O ' HG23 ' A' ' 14' ' ' VAL . 30.0 p90 -52.85 -40.99 63.84 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 123.183 0.302 . . . . 72.2 111.44 178.198 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -62.18 -27.31 68.88 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.051 0.453 . . . . 75.22 110.89 -177.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.925 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -79.72 -40.61 28.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.72 -0.673 . . . . 63.32 109.908 -175.189 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.402 ' HD1' ' HB2' ' A' ' 85' ' ' TYR . 26.1 t80 -65.33 -41.87 93.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.573 -0.74 . . . . 74.31 109.377 176.362 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 10' ' ' PHE . 79.0 t -56.56 -51.71 62.13 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 CA-C-N 115.544 -0.753 . . . . 75.42 110.796 178.24 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -59.06 -34.13 71.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.447 -0.342 . . . . 44.31 111.52 -176.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.3 t -68.56 -46.09 70.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.342 -0.39 . . . . 42.31 110.935 -178.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -78.16 -30.5 49.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.041 0.448 . . . . 63.0 110.617 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.467 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 33.4 tpp -60.7 -29.34 69.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.949 -0.569 . . . . 75.24 110.742 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 30.4 mmtp -58.1 -36.61 73.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 65.13 110.701 175.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 m -76.41 -27.89 56.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.488 0.661 . . . . 63.42 110.605 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -86.98 -11.16 51.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.817 -0.629 . . . . 75.12 110.859 -176.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.451 ' HA ' ' HB2' ' A' ' 25' ' ' LEU . 87.4 p -68.56 -10.09 53.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 64.11 111.929 -176.356 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -57.28 -26.68 61.21 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 111.808 0.299 . . . . 73.2 111.808 -176.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -120.93 29.47 7.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.957 0.408 . . . . 73.02 110.866 175.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 30' ' ' PHE . 2.6 mp -129.71 124.32 33.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.176 -0.465 . . . . 73.43 110.97 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -77.07 160.13 29.31 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.83 -0.433 . . . . 54.12 109.83 173.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.4 mm -55.38 -41.34 61.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 123.242 0.339 . . . . 62.03 111.737 -176.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.508 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -55.07 -54.88 31.04 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 116.125 -0.489 . . . . 71.34 112.881 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.1 t -76.68 -29.25 56.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.697 0.284 . . . . 72.54 110.988 -178.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.487 ' HA ' HD23 ' A' ' 25' ' ' LEU . 91.7 t80 -59.44 -54.44 46.61 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.394 -0.366 . . . . 73.14 110.587 179.001 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.63 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 27.5 ptt180 -76.7 -20.39 56.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.323 . . . . 72.54 110.776 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.508 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 8.2 t60 -57.31 -33.76 68.04 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 116.089 -0.505 . . . . 73.33 110.979 -177.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -118.09 21.22 12.9 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.307 0.575 . . . . 74.42 110.091 177.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.63 ' HB3' ' HA ' ' A' ' 31' ' ' ARG . 76.4 tttt -95.13 -43.75 7.96 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.425 -0.807 . . . . 61.43 110.217 179.15 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.9 p -76.27 -26.93 56.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.47 -0.786 . . . . 64.14 112.085 -176.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.8 m -53.21 -69.84 0.11 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.442 0.534 . . . . 73.21 112.442 -174.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -66.3 -25.47 66.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 71.33 111.415 -177.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -67.73 -51.28 51.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.245 0.545 . . . . 73.22 110.308 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.439 ' HB3' ' HE2' ' A' ' 39' ' ' LYS . 2.9 tmmm? -66.3 -27.79 68.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.124 -0.944 . . . . 72.41 110.765 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -77.75 -2.19 35.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.985 -0.552 . . . . 73.22 111.787 -175.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -74.77 76.95 2.08 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.443 0.639 . . . . 64.43 110.36 177.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -63.61 -43.49 96.73 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.046 -0.979 . . . . 52.23 110.122 173.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -137.5 172.36 13.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.474 -0.784 . . . . 73.54 109.281 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.0 m -84.67 129.36 34.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.833 0.349 . . . . 60.15 111.045 -177.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -149.88 115.78 5.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.757 -0.656 . . . . 73.3 109.274 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -81.16 -50.53 5.09 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.755 -0.736 . . . . 75.55 111.867 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.52 ' HG ' ' HB2' ' A' ' 51' ' ' GLU . 9.7 tt 67.91 109.29 0.05 OUTLIER 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.172 0.589 . . . . 63.44 110.482 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -82.19 -179.72 7.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.165 -0.47 . . . . 75.22 110.696 -178.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -62.62 -36.65 83.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.901 -0.591 . . . . 71.34 112.194 -173.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -79.88 -9.48 59.68 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.691 -0.404 . . . . 73.15 111.684 -174.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.52 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . 2.3 mp0 -88.02 -20.25 26.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.968 0.413 . . . . 75.02 110.294 175.397 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.16 86.76 7.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.399 0.618 . . . . 53.44 109.434 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.481 ' O ' HD23 ' A' ' 57' ' ' LEU . 39.8 p -126.84 178.48 5.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.827 -0.624 . . . . 65.21 110.83 -177.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.556 ' OE2' ' HD3' ' A' ' 58' ' ' ARG . 2.4 tm-20 -58.95 -31.8 69.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.806 -0.634 . . . . 73.0 110.193 176.314 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -62.34 -48.69 78.7 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 115.717 -0.674 . . . . 73.22 110.704 177.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -61.07 -44.04 97.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.55 -0.296 . . . . 64.52 110.507 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.562 HD13 HD22 ' A' ' 79' ' ' LEU . 3.9 mm? -58.55 -50.5 73.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.138 -0.483 . . . . 63.15 111.322 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.556 ' HD3' ' OE2' ' A' ' 54' ' ' GLU . 13.9 ptt180 -73.57 -26.43 60.82 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.609 -0.436 . . . . 73.54 110.995 -176.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -74.64 -44.19 51.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.722 0.296 . . . . 72.24 111.037 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -64.18 -31.76 73.08 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.698 -0.482 . . . . 62.54 109.698 -178.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.3 tp -57.39 -53.28 59.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.477 -0.783 . . . . 75.34 110.392 173.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 64.5 mt -67.24 -40.97 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.833 -0.621 . . . . 74.31 110.431 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -54.71 -47.49 73.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.628 -0.715 . . . . 75.52 110.459 177.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.601 ' HE1' ' HB2' ' A' ' 78' ' ' ASN . 5.2 ttp -71.56 -38.45 70.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.892 -0.595 . . . . 72.3 111.158 179.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.536 ' HE2' ' HA ' ' A' ' 71' ' ' ALA . 6.1 tmtt? -63.52 -40.55 97.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.996 -0.547 . . . . 64.13 110.735 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -84.36 -62.9 1.44 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.217 -0.447 . . . . 73.21 111.751 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.5 m -70.29 -38.26 74.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.207 -0.451 . . . . 71.0 112.017 -174.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 64' ' ' MET . 66.1 mt -99.32 -8.02 25.49 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 121.09 -0.244 . . . . 72.41 111.557 -176.523 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 61.4 m 65.83 9.64 6.21 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.435 0.531 . . . . 73.41 112.435 176.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.496 ' O ' ' HA ' ' A' ' 65' ' ' LYS . 13.4 m120 -83.4 149.52 26.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.911 0.386 . . . . 64.51 111.114 -177.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.536 ' HA ' ' HE2' ' A' ' 65' ' ' LYS . . . -86.58 174.11 9.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.953 -0.567 . . . . 70.1 111.044 -177.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -56.55 -36.92 69.84 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.205 -0.452 . . . . 65.01 111.18 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.9 p -54.72 -51.19 66.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.054 -0.521 . . . . 62.4 111.247 -178.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.8 m -69.47 -46.11 67.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.985 -0.552 . . . . 71.33 110.32 177.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.21 -40.66 77.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.81 -0.632 . . . . 74.13 112.302 -176.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -62.36 -33.27 74.41 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 120.724 0.297 . . . . 73.32 111.289 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 77' ' ' ARG . 58.7 mtt180 -69.3 -38.96 78.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.135 0.493 . . . . 71.22 110.539 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.601 ' HB2' ' HE1' ' A' ' 64' ' ' MET . 18.3 m120 -67.48 -46.76 72.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.768 -0.651 . . . . 43.42 110.369 176.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.562 HD22 HD13 ' A' ' 57' ' ' LEU . 96.0 mt -63.9 -34.72 78.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.964 -0.562 . . . . 71.01 110.571 178.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.664 ' O ' HG12 ' A' ' 84' ' ' ILE . 23.2 t -62.22 -37.35 85.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 63.15 110.139 176.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.5 m -68.23 -36.87 80.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.182 -0.463 . . . . 64.42 110.347 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 89.2 mt -65.61 -49.69 76.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.879 -0.6 . . . . 73.02 110.688 176.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.613 ' HG3' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -60.27 -27.98 67.7 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-O 119.425 -0.322 . . . . 75.32 111.394 -179.528 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.664 HG12 ' O ' ' A' ' 80' ' ' SER . 37.3 mm -57.1 -54.95 23.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 117.841 0.291 . . . . 72.4 111.255 174.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.402 ' HB2' ' HD1' ' A' ' 13' ' ' PHE . 2.2 p90 -73.69 -33.19 64.3 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 120.662 -0.415 . . . . 61.02 110.485 -175.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.526 ' O ' HG13 ' A' ' 90' ' ' ILE . 92.7 t -65.53 -41.71 91.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.17 0.51 . . . . 64.41 110.033 175.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 m -63.08 -29.14 70.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.503 -0.771 . . . . 54.53 111.374 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.2 -34.41 77.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.195 0.521 . . . . 74.15 110.164 174.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.62 -23.43 49.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.56 -0.745 . . . . 63.32 110.669 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 86' ' ' VAL . 51.1 mt -81.78 -30.94 10.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.218 0.532 . . . . 72.21 110.122 175.003 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -64.84 -45.88 84.26 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.67 -0.696 . . . . 73.22 110.661 -177.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -167.72 68.98 0.09 Allowed 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.469 0.652 . . . . 70.53 109.74 172.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -130.76 -85.2 0.34 Allowed Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.361 -0.836 . . . . 74.22 111.627 176.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -160.08 -19.26 0.06 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.047 -0.261 . . . . 75.13 111.335 -177.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.406 ' HB2' ' HA ' ' A' ' 90' ' ' ILE . 97.4 mmm -56.8 135.06 55.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.065 0.46 . . . . 74.34 111.259 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -86.71 -46.3 10.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.75 -0.659 . . . . 74.11 110.66 -178.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -135.17 164.95 26.52 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.657 -0.702 . . . . 75.11 109.433 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.645 ' OD2' ' HB2' ' A' ' 101' ' ' LYS . 5.1 p-10 -96.1 144.48 27.9 Favored Pre-proline 0 C--N 1.318 -0.794 0 N-CA-C 109.923 -0.399 . . . . 71.33 109.923 177.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -77.08 -18.42 14.46 Favored 'Trans proline' 0 CA--C 1.529 0.275 0 C-N-CA 122.54 2.16 . . . . 63.43 113.199 -176.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -85.59 -13.88 47.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.221 0.534 . . . . 74.32 111.443 -176.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.645 ' HB2' ' OD2' ' A' ' 98' ' ' ASP . 1.5 tmmt? -72.13 -33.94 68.18 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.599 -0.728 . . . . 65.14 109.854 174.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -90.84 -4.01 56.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.761 -0.654 . . . . 74.2 111.371 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -75.02 69.79 1.96 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.329 0.585 . . . . 72.23 111.511 -172.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 67.93 9.42 56.54 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.655 -0.702 . . . . 21.22 113.769 175.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 85.1 mt -100.93 4.17 42.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.974 0.387 . . . . 64.2 110.992 -177.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.94 126.78 41.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.079 -0.51 . . . . 71.21 109.773 179.22 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -135.03 51.46 2.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.748 0.785 . . . . 72.0 109.49 178.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -75.77 97.93 4.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.259 -0.882 . . . . 72.5 110.377 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -107.56 112.76 25.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.395 -0.82 . . . . 60.35 109.993 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 69.02 120.12 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.971 0.795 . . . . 72.12 111.029 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -67.6 127.62 33.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.128 -0.487 . . . . 74.21 109.82 175.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.671 -0.68 . . . . 64.32 109.884 179.077 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.42 ' HG3' ' OD1' ' A' ' 2' ' ' ASN . 25.8 ptt? . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.394 0.14 . . . . 74.43 111.34 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.42 ' OD1' ' HG3' ' A' ' 1' ' ' MET . 5.6 m-20 -121.34 170.65 9.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.906 0.384 . . . . 54.21 110.774 -176.565 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.427 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 19.5 t-20 -91.69 142.72 26.99 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 108.607 -0.886 . . . . 73.22 108.607 171.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 3' ' ' ASN . 12.5 Cg_exo -71.05 71.64 2.16 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.476 2.117 . . . . 75.0 111.8 178.18 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 t -149.49 106.79 3.61 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.044 0.45 . . . . 73.05 111.324 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -111.34 2.8 17.82 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.352 -0.981 . . . . 74.41 108.352 168.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.688 ' HA ' ' CB ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -99.0 116.17 30.62 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.147 -1.388 . . . . 74.12 113.232 -174.316 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 mttp -106.61 -23.92 12.31 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 113.289 -1.778 . . . . 75.34 108.49 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 m -135.95 174.22 10.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.683 -1.144 . . . . 72.3 110.387 -178.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.512 ' O ' HG23 ' A' ' 14' ' ' VAL . 41.8 p90 -58.63 -38.8 78.84 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.333 -0.394 . . . . 74.4 111.673 -178.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.481 ' HD2' ' SD ' ' A' ' 37' ' ' MET . 2.7 t-80 -56.01 -40.7 73.77 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.258 0.552 . . . . 72.04 110.847 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.688 ' CB ' ' HA ' ' A' ' 7' ' ' PHE . 6.9 m-20 -73.63 -42.09 61.91 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.216 -0.902 . . . . 71.13 110.266 -171.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.414 ' N ' ' HB3' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -65.56 -41.94 92.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.452 -0.795 . . . . 74.23 110.416 -179.494 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 10' ' ' PHE . 88.5 t -60.29 -40.04 82.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.241 -0.436 . . . . 72.45 110.355 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.59 ' O ' ' HG3' ' A' ' 19' ' ' LYS . . . -63.19 -39.22 94.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.7 -0.682 . . . . 34.41 111.319 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.6 t -57.29 -42.36 81.54 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.87 0.367 . . . . 75.22 110.561 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -76.78 -44.36 33.12 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.161 -0.472 . . . . 73.41 110.793 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.467 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 41.1 ttm -64.6 -28.73 69.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.961 -0.563 . . . . 72.14 111.705 -175.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.59 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 96.6 mttt -48.62 -54.76 13.37 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.985 0.421 . . . . 71.5 110.952 175.021 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.5 m -76.28 -31.67 58.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.343 0.592 . . . . 73.35 110.745 -179.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.467 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 22.0 t80 -76.44 -12.73 60.09 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.568 -0.742 . . . . 73.23 111.718 -173.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.7 p -62.99 -18.35 63.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.541 -0.299 . . . . 65.23 111.214 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 -60.99 -29.04 69.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.38 . . . . 73.42 110.817 176.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.0 mtp85 -104.75 9.84 34.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.043 -0.526 . . . . 64.44 110.81 -177.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 mp -114.77 125.63 53.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.123 -0.489 . . . . 73.12 110.377 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.28 152.71 28.4 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 109.418 -0.586 . . . . 52.34 109.418 173.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.0 mm -62.36 -36.04 72.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 116.334 -0.394 . . . . 53.45 110.221 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.45 -55.29 30.43 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 116.122 -0.49 . . . . 61.31 113.075 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.5 t -64.02 -41.32 97.47 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 117.217 0.508 . . . . 53.41 111.0 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.34 -43.33 99.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.247 0.546 . . . . 62.52 110.749 178.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.586 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 56.1 ttt180 -72.93 -32.84 65.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.695 -0.684 . . . . 70.53 111.809 -174.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -51.25 -44.2 61.69 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.955 0.407 . . . . 75.12 111.886 -177.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.515 ' CE1' ' HA ' ' A' ' 78' ' ' ASN . 6.3 t-80 -119.94 19.94 12.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.202 0.525 . . . . 75.42 110.311 -174.65 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.586 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 9.1 tmtt? -61.36 -68.91 0.27 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.032 -0.985 . . . . 73.5 111.598 -174.242 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.1 m -66.92 -35.41 79.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.015 -0.538 . . . . 74.34 111.031 -176.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 83.9 m -55.15 -53.67 52.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.423 -0.808 . . . . 44.22 111.816 -177.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.481 ' SD ' ' HD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -54.7 -38.39 66.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.823 -0.626 . . . . 72.45 111.35 -176.669 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -76.54 -51.62 11.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.063 0.458 . . . . 71.01 110.821 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.559 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.3 OUTLIER -61.04 -36.58 79.94 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.038 -0.983 . . . . 75.53 111.01 -176.24 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.455 ' HZ ' ' HG3' ' A' ' 64' ' ' MET . 45.8 t80 -66.93 -18.36 65.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.156 -0.474 . . . . 72.14 111.851 -174.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.693 ' HE2' ' HD1' ' A' ' 43' ' ' TYR . 84.0 tttt -75.73 82.55 2.7 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.488 0.661 . . . . 73.43 110.561 -177.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -76.29 -3.25 35.63 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.017 -0.992 . . . . 61.04 110.864 174.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.693 ' HD1' ' HE2' ' A' ' 41' ' ' LYS . 10.9 t80 66.68 22.25 10.45 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.677 -0.692 . . . . 74.53 110.956 176.492 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.2 m -67.12 -31.84 72.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.022 -0.535 . . . . 53.1 111.01 178.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -144.48 139.8 28.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.801 0.334 . . . . 74.32 110.604 -177.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.75 56.87 0.71 Allowed Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.305 -0.718 . . . . 64.03 111.305 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.435 ' HG ' ' CZ ' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -68.98 163.1 25.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.84 0.352 . . . . 60.31 111.504 -179.204 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -102.62 163.7 12.07 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.965 -0.562 . . . . 32.31 110.783 -175.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -74.39 -19.35 60.46 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.868 0.692 . . . . 60.12 112.868 -168.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -77.84 -17.88 56.91 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.232 -0.587 . . . . 70.32 109.517 176.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -91.6 -8.12 48.22 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.75 -0.659 . . . . 74.31 109.73 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.426 ' CD1' ' HG3' ' A' ' 99' ' ' PRO . 1.6 tm? -74.32 90.93 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.264 -0.88 . . . . 72.31 109.332 -179.103 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.466 ' O ' HD23 ' A' ' 57' ' ' LEU . 21.6 p -126.7 175.0 8.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.94 -0.573 . . . . 71.12 111.496 -174.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.561 ' CD ' ' H ' ' A' ' 54' ' ' GLU . 4.1 mp0 -53.47 -43.82 68.45 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 115.978 -0.555 . . . . 72.22 110.227 178.04 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -57.13 -49.0 77.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.213 -0.903 . . . . 75.22 111.077 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.435 ' CZ ' ' HG ' ' A' ' 47' ' ' LEU . 64.2 t80 -62.0 -47.11 86.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 64.44 110.309 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 53' ' ' THR . 4.0 mm? -57.65 -44.63 85.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.47 -0.332 . . . . 73.4 111.468 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -63.24 -47.15 83.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.425 . . . . 74.3 111.002 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -73.07 -40.08 65.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.857 0.36 . . . . 71.3 111.087 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -67.34 -32.48 73.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.211 -0.45 . . . . 72.32 110.543 -177.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.8 tp -55.19 -51.36 66.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.24 0.543 . . . . 64.33 110.034 174.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 47.9 mm -67.02 -48.1 80.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.446 -0.797 . . . . 60.4 110.472 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -55.61 -44.57 77.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.769 -0.651 . . . . 75.33 111.14 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.491 ' HA ' HD12 ' A' ' 68' ' ' LEU . 15.4 ttp -65.68 -48.42 72.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.859 -0.61 . . . . 75.23 111.683 -178.004 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.629 ' HA ' ' HB2' ' A' ' 70' ' ' ASN . 15.7 pttt -75.53 -29.61 59.5 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.688 -0.405 . . . . 73.42 111.793 -176.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -93.82 -64.34 1.09 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.839 0.352 . . . . 73.33 111.693 -176.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 m -72.35 -32.78 66.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.32 -0.4 . . . . 43.34 111.517 -172.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 64' ' ' MET . 86.9 mt -96.23 -1.1 48.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.37 -0.377 . . . . 64.52 110.843 -179.14 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.1 t 62.4 84.09 0.15 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.658 -0.701 . . . . 52.43 111.847 177.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.629 ' HB2' ' HA ' ' A' ' 65' ' ' LYS . 49.6 m-80 -146.35 178.82 7.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 74.04 109.836 178.214 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -114.7 173.4 6.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.32 -0.4 . . . . 64.22 109.981 177.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -58.92 -48.81 80.14 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.375 0.422 . . . . 64.41 110.899 -177.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.491 ' O ' ' HG3' ' A' ' 77' ' ' ARG . 40.5 t -58.02 -49.75 75.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.058 -0.519 . . . . 75.43 110.587 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.5 m -56.41 -46.87 79.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.024 0.44 . . . . 74.24 110.729 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.65 -46.79 86.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.659 -0.7 . . . . 71.42 111.644 -177.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -63.15 -40.31 97.2 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 120.912 0.387 . . . . 71.11 111.368 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' ' 73' ' ' SER . 66.8 mtt-85 -66.75 -35.08 79.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.127 0.489 . . . . 74.1 110.896 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.515 ' HA ' ' CE1' ' A' ' 33' ' ' HIS . 96.8 m-20 -63.48 -51.18 66.67 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.828 -0.624 . . . . 72.23 111.034 174.469 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.39 -34.88 76.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.857 -0.611 . . . . 73.51 112.363 -175.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.544 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 11.8 p -66.26 -18.66 65.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.754 0.311 . . . . 74.52 111.721 -177.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.3 m -75.42 -33.88 60.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.102 0.477 . . . . 71.14 110.359 174.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 55.7 mt -69.65 -41.92 80.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.619 . . . . 64.24 110.746 -178.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -59.33 -28.91 67.24 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.264 -0.425 . . . . 75.25 111.629 -177.895 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 63.3 mt -60.09 -48.45 87.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.772 -0.371 . . . . 64.11 110.095 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -73.31 -39.83 64.98 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 120.468 -0.493 . . . . 74.1 110.686 177.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.493 HG13 ' SD ' ' A' ' 95' ' ' MET . 53.4 t -56.79 -45.09 82.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.411 0.624 . . . . 44.01 110.322 177.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.435 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 1.3 m -62.34 -36.17 81.38 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.066 -0.97 . . . . 45.34 111.319 176.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.38 -30.72 60.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.391 . . . . 54.22 111.136 176.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.63 -22.91 66.11 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.996 -0.547 . . . . 70.31 111.119 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.619 ' HA ' ' O ' ' A' ' 95' ' ' MET . 78.0 mt -75.54 -30.46 22.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.286 0.565 . . . . 73.41 110.146 175.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -78.29 -45.21 23.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.816 -0.629 . . . . 65.11 111.004 -177.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -153.41 66.58 0.76 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.47 0.653 . . . . 75.34 110.709 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -145.19 -90.62 0.11 Allowed Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.362 -0.923 . . . . 20.54 112.311 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -163.85 -29.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.778 0.323 . . . . 74.51 110.844 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.619 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 89.1 mtp -78.62 153.71 30.85 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 116.379 -0.373 . . . . 63.54 110.272 -178.208 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -122.36 -41.96 2.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.212 0.53 . . . . 74.34 110.271 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -118.0 123.09 44.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.857 -0.61 . . . . 71.55 109.852 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 101' ' ' LYS . 5.2 p-10 -78.82 149.14 73.68 Favored Pre-proline 0 N--CA 1.448 -0.534 0 CA-C-N 116.297 -0.41 . . . . 72.34 110.185 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.426 ' HG3' ' CD1' ' A' ' 52' ' ' LEU . 31.5 Cg_endo -62.94 -21.21 73.03 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 123.06 2.507 . . . . 63.14 112.718 -178.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.462 ' HA ' ' HB3' ' A' ' 103' ' ' PHE . 81.1 m-85 -83.3 -0.38 49.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.128 -0.487 . . . . 72.41 111.424 -177.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -57.47 -51.22 70.33 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.949 -0.569 . . . . 52.33 110.272 175.545 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -98.51 -24.56 15.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.773 -0.649 . . . . 72.12 110.822 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.462 ' HB3' ' HA ' ' A' ' 100' ' ' PHE . 56.6 t80 -77.09 77.55 3.63 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.697 -0.683 . . . . 73.33 110.353 -177.287 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 160.42 -121.81 1.07 Allowed Glycine 0 N--CA 1.44 -1.09 0 N-CA-C 110.989 -0.844 . . . . 63.21 110.989 176.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 93.9 mt 54.97 81.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 123.12 0.568 . . . . 54.04 110.988 -178.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.81 38.3 1.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.016 -0.538 . . . . 53.35 111.13 -179.355 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -147.2 161.01 41.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.825 -0.625 . . . . 72.32 110.573 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 69.19 98.09 0.06 Allowed 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.998 0.811 . . . . 63.23 112.236 175.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -143.0 52.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.477 0.656 . . . . 70.35 110.87 171.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -120.31 68.92 0.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.655 -0.702 . . . . 72.53 109.612 173.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -94.5 98.99 11.24 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.422 -0.584 . . . . 72.45 109.422 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 . . . . . 0 C--N 1.317 -0.845 0 CA-C-O 118.411 -0.804 . . . . 73.12 109.621 -179.193 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.1 ttp . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 120.598 0.237 . . . . 64.41 111.112 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -64.77 -60.0 3.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 61.22 111.605 -174.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -134.45 87.2 33.05 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 121.085 0.469 . . . . 43.05 111.809 -178.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -77.13 -164.13 0.25 Allowed 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 122.999 2.466 . . . . 72.34 110.975 174.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 m -74.57 90.76 2.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.371 0.605 . . . . 40.23 109.999 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -103.28 14.53 31.37 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.866 0.841 . . . . 72.41 109.819 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.471 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 63.7 m-85 -69.66 145.82 52.11 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.579 -1.191 . . . . 75.23 110.576 -178.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.477 ' HZ2' ' HB2' ' A' ' 8' ' ' LYS . 10.5 mtmp? -55.57 -47.8 75.83 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.234 -0.894 . . . . 75.24 111.848 -177.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.7 p -161.36 -169.18 2.22 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.065 -0.346 . . . . 71.31 110.065 -174.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.647 ' O ' HG23 ' A' ' 14' ' ' VAL . 24.8 p90 -57.72 -38.64 75.64 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 116.254 -0.43 . . . . 74.45 109.983 174.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -62.55 -38.45 90.08 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.087 0.47 . . . . 61.54 110.632 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.471 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 17.0 t0 -77.08 -33.79 57.05 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.601 -0.727 . . . . 53.41 109.793 -178.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -67.86 -38.53 83.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.452 -0.795 . . . . 75.51 110.014 175.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.768 HG22 ' HB2' ' A' ' 85' ' ' TYR . 53.1 t -54.75 -43.55 67.19 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 CA-C-N 116.091 -0.504 . . . . 73.24 110.388 176.272 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.2 -33.89 71.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 31.32 111.185 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.7 t -68.29 -46.21 70.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.239 -0.437 . . . . 72.13 110.919 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -78.09 -33.04 50.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 75.14 110.764 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.706 ' HG3' ' CE2' ' A' ' 21' ' ' TYR . 31.6 ttm -58.51 -31.36 67.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 63.24 110.366 179.29 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -49.94 -35.76 25.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.391 -0.822 . . . . 55.24 110.914 176.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 47.4 m -66.67 -57.74 6.56 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.223 0.453 . . . . 54.01 112.223 -176.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.706 ' CE2' ' HG3' ' A' ' 18' ' ' MET . 7.7 p90 -77.08 -22.49 52.73 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.667 -0.413 . . . . 64.31 111.367 -174.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.409 ' HA ' ' HB2' ' A' ' 25' ' ' LEU . 50.4 m -68.16 -10.41 54.0 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.913 0.387 . . . . 72.43 110.699 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -54.71 -35.1 63.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.71 -0.677 . . . . 72.31 111.062 176.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -114.07 18.25 17.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.221 0.534 . . . . 61.54 110.989 -177.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 22' ' ' SER . 13.3 tp -97.06 131.48 43.81 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.335 -0.617 . . . . 71.11 109.335 179.278 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.532 ' HG3' ' H ' ' A' ' 29' ' ' THR . 12.7 pt-20 -59.92 148.12 36.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.329 -0.396 . . . . 75.23 110.231 177.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.6 mm -62.42 -32.47 55.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.714 -0.675 . . . . 64.34 110.532 -176.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -57.0 -58.06 16.54 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.746 -0.661 . . . . 75.11 112.824 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.532 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 7.1 t -75.52 -34.93 60.83 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.946 0.373 . . . . 52.33 111.109 -176.465 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -53.98 -48.84 69.93 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 120.941 0.401 . . . . 52.21 110.898 174.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 31' ' ' ARG . 23.9 ttt180 -75.15 -30.13 60.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.093 -0.503 . . . . 75.14 110.636 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 79.8 t60 -67.4 -12.45 60.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.594 -0.73 . . . . 74.34 111.703 -175.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -113.86 5.13 16.14 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.349 -0.54 . . . . 74.41 111.437 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -68.22 -55.13 13.33 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.579 0.228 . . . . 72.23 111.577 -178.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.9 m -64.8 -28.62 69.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.031 0.443 . . . . 51.12 110.919 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.9 m -67.07 -48.07 69.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.814 -0.63 . . . . 65.53 111.046 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.62 ' HG2' HG21 ' A' ' 81' ' ' THR . 91.8 mtp -62.76 -26.81 68.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.101 -0.5 . . . . 63.22 111.741 178.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.487 ' HD2' ' HA ' ' A' ' 38' ' ' ARG . 2.7 tpt180 -73.51 -44.08 58.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.149 0.425 . . . . 73.14 112.149 -172.305 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -6.89 2.55 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.857 1.058 . . . . 62.41 113.857 -171.144 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.416 ' CZ ' ' HZ ' ' A' ' 10' ' ' PHE . 78.4 t80 -61.35 -32.32 72.22 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.339 -0.615 . . . . 72.45 109.339 174.093 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt 60.35 87.87 0.08 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 114.868 -1.06 . . . . 74.15 112.039 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -121.66 145.96 47.48 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 109.564 -0.532 . . . . 74.32 109.564 170.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -157.91 -37.43 0.07 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.021 -0.536 . . . . 65.45 110.997 -172.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 76.4 m -128.45 130.02 46.96 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.216 -0.661 . . . . 75.51 109.216 175.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 59.42 -155.86 0.35 Allowed 'General case' 0 CA--C 1.531 0.218 0 O-C-N 123.685 0.616 . . . . 65.13 110.663 -177.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -170.18 -124.36 0.74 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.75 -0.738 . . . . 72.45 112.116 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.7 tp -135.27 140.5 45.24 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.362 -0.607 . . . . 75.44 109.362 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.512 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 2.1 mp0 -85.59 174.35 9.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.843 0.354 . . . . 52.43 110.521 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -71.05 -52.77 17.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.924 -0.58 . . . . 71.51 111.61 -174.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -78.31 8.25 5.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.486 -0.325 . . . . 75.22 111.682 -175.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.512 ' HG2' ' HB2' ' A' ' 48' ' ' GLN . 6.9 mm-40 -93.1 -11.59 32.56 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.343 -0.614 . . . . 74.13 109.343 176.445 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.524 ' HG ' HG21 ' A' ' 86' ' ' VAL . 1.5 tm? -97.53 100.9 12.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.449 -0.796 . . . . 72.32 109.848 -177.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.5 p -127.29 178.08 6.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.105 -0.498 . . . . 74.44 110.765 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.714 ' HG2' ' HB2' ' A' ' 102' ' ' ASP . 2.1 mp0 -59.87 -35.7 75.36 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.983 0.421 . . . . 55.11 110.427 177.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.05 -41.95 97.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.722 -0.672 . . . . 72.25 110.316 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -61.52 -48.62 80.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.066 -0.516 . . . . 65.21 110.463 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.44 -45.27 92.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 71.45 111.234 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -67.92 -44.88 75.87 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.1 -0.5 . . . . 60.15 111.182 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -62.53 -43.42 98.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.311 -0.404 . . . . 42.13 110.722 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -67.69 -33.06 74.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 74.33 110.136 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.53 HD22 ' HZ ' ' A' ' 103' ' ' PHE . 53.4 tp -58.9 -48.0 82.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 73.31 110.066 174.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 74.2 mt -59.56 -44.11 92.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.578 -0.737 . . . . 72.23 110.474 175.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -55.75 -43.53 76.74 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.154 0.502 . . . . 74.51 110.708 175.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.532 ' HG3' ' HB2' ' A' ' 70' ' ' ASN . 4.0 tpp -66.39 -45.66 79.27 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.736 -0.666 . . . . 74.41 110.858 -179.303 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 13.2 tmtt? -71.66 -48.24 48.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.053 -0.522 . . . . 64.14 110.908 -177.082 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.4 ' C ' ' HD3' ' A' ' 66' ' ' LYS . 10.9 tmtt? -82.97 -61.84 1.76 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.416 -0.357 . . . . 72.42 111.083 -172.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.7 m -72.02 -42.71 66.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.466 -0.334 . . . . 71.25 111.807 -172.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.528 ' HB2' ' O ' ' A' ' 64' ' ' MET . 90.3 mt -86.04 -19.05 30.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.689 -0.232 . . . . 65.41 111.195 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 10.0 t 64.73 34.9 9.19 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 123.677 0.611 . . . . 64.24 110.39 -179.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.532 ' HB2' ' HG3' ' A' ' 64' ' ' MET . 89.9 m-20 -97.26 149.9 21.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.125 -0.488 . . . . 63.33 110.725 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.86 172.47 13.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.13 -0.486 . . . . 75.42 111.118 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -55.98 -47.97 76.71 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.924 -0.58 . . . . 61.13 111.378 -177.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.1 m -57.22 -46.98 82.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.759 -0.655 . . . . 65.11 110.963 -177.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.5 m -64.51 -42.21 95.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.989 -0.55 . . . . 74.54 110.857 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.454 ' HB2' ' HG2' ' A' ' 64' ' ' MET . . . -62.35 -47.84 82.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.896 -0.593 . . . . 71.13 111.717 -177.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -62.77 -47.47 83.38 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.347 -0.388 . . . . 71.21 111.734 -175.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -68.11 -24.8 65.06 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.918 -0.313 . . . . 52.11 111.402 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -73.74 -40.62 63.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.936 0.398 . . . . 64.41 110.276 173.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.4 mt -68.15 -28.86 67.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.033 -0.53 . . . . 55.14 110.88 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.742 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 75.5 m -54.53 -24.99 23.11 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.563 0.579 . . . . 55.54 112.563 177.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.62 HG21 ' HG2' ' A' ' 37' ' ' MET . 72.7 p -60.49 -53.33 58.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.048 0.451 . . . . 55.53 110.562 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 83.7 mt -70.41 -32.91 51.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.794 -0.639 . . . . 71.43 110.265 176.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.742 ' HB2' ' HA ' ' A' ' 80' ' ' SER . 25.8 mmtp -53.63 -51.63 62.47 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.372 -0.376 . . . . 72.24 111.348 176.33 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 80' ' ' SER . 72.7 mt -62.96 -34.51 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.883 0.373 . . . . 74.14 110.998 -178.012 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.768 ' HB2' HG22 ' A' ' 14' ' ' VAL . 83.4 t80 -70.2 -53.85 15.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.01 -0.541 . . . . 64.53 110.405 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.648 ' O ' HG13 ' A' ' 90' ' ' ILE . 78.5 t -64.1 -45.52 96.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.777 -0.647 . . . . 73.21 110.558 -178.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.574 ' HA ' HD12 ' A' ' 90' ' ' ILE . 4.4 m -57.62 -36.86 72.35 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.409 -0.359 . . . . 72.44 111.756 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.32 -32.82 69.04 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.204 0.526 . . . . 43.13 110.586 177.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.84 -23.07 55.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.795 -0.639 . . . . 45.05 111.103 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.648 HG13 ' O ' ' A' ' 86' ' ' VAL . 88.4 mt -74.83 -31.68 26.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.01 -0.541 . . . . 63.51 110.838 179.139 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.46 ' HD3' ' HA ' ' A' ' 91' ' ' LYS . 69.4 mmtt -75.46 -45.3 39.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.366 -0.379 . . . . 64.31 111.042 -175.478 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -163.63 71.8 0.26 Allowed 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.404 0.621 . . . . 74.54 110.184 173.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -139.36 -65.25 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.489 -0.778 . . . . 64.42 111.612 176.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -166.58 -36.78 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.007 0.432 . . . . 74.13 110.171 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 97.3 mmm -68.86 149.8 48.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.894 -0.594 . . . . 64.13 110.367 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -129.19 -47.59 1.21 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.386 0.612 . . . . 75.44 109.911 -177.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -98.06 120.8 39.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.682 -0.69 . . . . 60.35 109.343 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.59 ' HB3' HD13 ' A' ' 90' ' ' ILE . 4.1 p-10 -77.43 150.22 79.5 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 116.335 -0.393 . . . . 74.42 110.31 -177.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -85.34 -3.49 9.4 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.807 2.338 . . . . 65.44 113.186 -178.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.423 ' HB3' ' HE2' ' A' ' 83' ' ' LYS . 38.9 p90 -94.98 -27.91 15.41 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.385 -0.526 . . . . 75.22 112.27 -174.63 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.515 ' O ' ' HB3' ' A' ' 105' ' ' LEU . 18.7 mmtt -53.35 -48.92 68.12 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.02 0.438 . . . . 65.23 110.951 175.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.714 ' HB2' ' HG2' ' A' ' 54' ' ' GLU . 1.3 m-20 -88.92 -3.32 58.77 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.123 -0.49 . . . . 64.43 111.527 -174.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.53 ' HZ ' HD22 ' A' ' 61' ' ' LEU . 83.5 t80 -70.05 -39.53 75.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.475 -0.33 . . . . 75.33 110.657 -178.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -151.13 17.32 0.91 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.196 -1.002 . . . . 55.51 113.246 -178.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.515 ' HB3' ' O ' ' A' ' 101' ' ' LYS . 3.2 tm? -127.43 111.22 13.59 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.522 -0.548 . . . . 41.41 109.522 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -68.44 138.29 55.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.546 -0.752 . . . . 53.32 112.314 -175.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -97.67 127.56 43.71 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.403 -0.962 . . . . 74.54 108.403 168.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -73.55 -33.97 64.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.731 0.3 . . . . 75.41 111.362 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -142.07 103.48 4.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.365 -0.38 . . . . 60.11 110.38 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -84.94 97.88 10.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.718 0.77 . . . . 53.42 110.289 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -176.86 131.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.073 -0.967 . . . . 72.53 109.024 -175.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 11.2 p80 . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.481 -0.771 . . . . 64.31 110.418 -176.841 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 120.928 0.395 . . . . 70.3 110.018 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -93.04 143.11 26.56 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.004 -0.739 . . . . 71.0 109.004 175.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -134.64 86.87 32.95 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 120.857 0.361 . . . . 62.22 110.854 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -82.22 81.47 2.51 Favored 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 122.578 2.185 . . . . 71.42 111.497 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.413 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 35.8 m -74.45 69.76 1.69 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.095 -0.502 . . . . 65.25 111.561 -176.239 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -139.13 15.22 2.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.698 -0.683 . . . . 74.1 110.69 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -65.05 141.05 58.88 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.787 -0.642 . . . . 71.22 111.136 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -76.85 -27.82 55.24 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.266 -0.879 . . . . 35.12 111.781 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.8 m -100.6 140.28 35.09 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.954 0.407 . . . . 74.44 111.374 -174.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.43 ' O ' HG23 ' A' ' 14' ' ' VAL . 32.8 p90 -58.78 -43.17 90.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.46 -0.791 . . . . 64.44 111.468 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -65.0 -26.32 68.24 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.931 0.396 . . . . 74.32 110.541 -178.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.08 -44.51 21.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.836 -0.62 . . . . 73.35 110.43 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.413 ' CE1' ' HB3' ' A' ' 5' ' ' SER . 49.4 t80 -63.22 -47.11 83.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.774 -0.648 . . . . 63.34 110.502 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.433 ' CG2' ' HB3' ' A' ' 85' ' ' TYR . 95.6 t -63.0 -44.59 99.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.827 -0.624 . . . . 71.34 111.008 -178.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' A' ' 19' ' ' LYS . . . -59.92 -45.02 93.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.628 -0.26 . . . . 64.52 111.497 -177.15 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -68.13 -44.88 75.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.269 -0.423 . . . . 74.43 110.88 -177.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -69.44 -39.38 77.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.817 0.341 . . . . 73.24 111.254 -177.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.616 ' HG2' ' HE1' ' A' ' 30' ' ' PHE . 34.4 ttm -64.85 -28.97 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.376 -0.375 . . . . 50.44 111.391 -176.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 93.8 mttt -54.43 -35.78 63.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.05 0.452 . . . . 71.45 111.048 175.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.4 m -95.43 -30.64 13.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.069 -0.514 . . . . 72.02 110.766 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.614 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 88.5 t80 -62.64 -30.12 71.13 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.289 -0.414 . . . . 75.21 111.356 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 p -68.08 -10.71 56.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.432 -0.349 . . . . 75.23 111.75 -178.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -69.61 -19.14 63.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.161 0.505 . . . . 75.25 110.569 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -120.47 30.52 6.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.948 -0.569 . . . . 70.14 110.708 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.544 ' HG ' HG23 ' A' ' 29' ' ' THR . 15.2 tp -141.85 142.56 33.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.947 -0.57 . . . . 73.31 109.886 178.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.548 ' HB2' HG22 ' A' ' 29' ' ' THR . 23.2 mt-10 -64.75 147.24 53.51 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.415 -0.357 . . . . 63.44 110.286 173.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.2 mt -65.43 -34.84 73.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.382 -0.372 . . . . 54.21 110.286 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.12 -55.96 27.93 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 121.07 -0.586 . . . . 31.41 112.547 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.548 HG22 ' HB2' ' A' ' 26' ' ' GLU . 8.6 t -66.31 -43.49 86.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.48 0.181 . . . . 64.13 110.843 178.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.616 ' HE1' ' HG2' ' A' ' 18' ' ' MET . 66.2 t80 -52.51 -53.39 46.62 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.539 -0.301 . . . . 61.3 111.222 175.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -61.37 -34.84 75.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 75.24 111.664 -177.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -64.87 -32.54 74.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.397 -0.365 . . . . 73.45 110.981 -176.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -123.12 37.0 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.348 0.594 . . . . 71.44 110.134 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -86.08 -53.97 4.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.451 -0.795 . . . . 75.11 111.681 -176.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 m -68.24 -72.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 63.43 111.376 -171.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 83.3 m 43.11 -87.08 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.762 1.023 . . . . 64.43 113.762 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 64.6 mtt -64.14 -29.21 70.35 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.271 -0.422 . . . . 75.24 110.893 -176.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -63.94 -25.92 68.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.818 -0.628 . . . . 73.4 111.573 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.561 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 3.8 tmmm? -86.54 -31.78 21.06 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 121.37 0.605 . . . . 60.53 109.517 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -72.22 -8.38 54.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.502 -0.772 . . . . 74.24 110.661 -177.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 73.3 tttt 75.16 101.37 0.07 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.244 -0.889 . . . . 73.22 109.987 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -71.93 -176.92 1.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.332 -0.849 . . . . 73.5 111.99 -174.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 62.97 88.06 0.1 Allowed 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.03 -0.986 . . . . 74.01 110.39 -175.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.0 t -156.36 -164.39 1.66 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.571 -1.195 . . . . 72.22 108.215 -173.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -55.03 120.7 7.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.06 0.457 . . . . 74.44 110.895 178.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -78.31 77.41 1.71 Allowed Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.604 -0.725 . . . . 64.4 111.555 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 28.2 tp -59.86 125.61 24.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.815 0.341 . . . . 75.45 110.107 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -74.36 169.43 17.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.901 -0.591 . . . . 74.24 111.412 -175.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.575 ' HB2' ' HE2' ' A' ' 94' ' ' TYR . 47.0 m-85 -65.88 -49.04 69.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.521 -0.763 . . . . 75.15 110.845 -176.278 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.613 ' HA ' ' SD ' ' A' ' 95' ' ' MET . 26.4 t-80 -73.47 -11.32 60.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.869 -0.605 . . . . 71.51 111.066 -174.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -81.63 -11.78 58.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.894 0.378 . . . . 75.33 110.744 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.484 ' HG ' HG21 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -79.16 98.01 6.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.968 -0.56 . . . . 70.14 109.633 179.446 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.2 p -113.24 -178.84 3.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.887 -0.597 . . . . 53.34 111.867 -173.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -67.84 -38.1 82.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.741 -0.663 . . . . 74.13 109.763 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -57.23 -41.17 79.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.675 -0.693 . . . . 53.21 110.498 177.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -59.75 -51.66 68.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 75.32 110.025 177.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.28 -51.43 69.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.291 -0.413 . . . . 74.15 111.404 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.41 ' C ' ' HD3' ' A' ' 58' ' ' ARG . 3.2 tmt_? -59.19 -50.38 74.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 74.23 111.142 -176.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -68.57 -40.98 80.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.913 0.387 . . . . 61.22 111.06 -176.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -70.58 -34.15 71.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.133 -0.485 . . . . 74.53 110.401 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 58.5 tp -63.18 -50.39 70.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.915 -0.584 . . . . 70.43 110.444 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 58' ' ' ARG . 46.0 mm -57.76 -46.18 86.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.129 -0.487 . . . . 52.43 110.541 178.213 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -58.51 -42.03 86.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.765 -0.652 . . . . 74.34 110.643 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.61 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 13.5 ttm -70.08 -41.66 73.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.616 -0.72 . . . . 65.55 110.938 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.593 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 7.5 tmtt? -63.39 -45.53 90.65 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.269 -0.878 . . . . 73.42 110.93 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -80.78 -64.24 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.083 0.468 . . . . 73.34 111.893 -177.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 31.7 m -74.45 -43.82 54.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.038 -0.528 . . . . 43.52 111.894 -171.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.422 HD12 ' HG3' ' A' ' 64' ' ' MET . 87.1 mt -87.15 -11.1 51.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.503 -0.317 . . . . 75.31 110.726 -177.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 65.6 m 66.53 26.81 9.83 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.925 -0.58 . . . . 65.22 112.556 173.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.61 ' HB2' ' HG2' ' A' ' 64' ' ' MET . 32.9 m-80 -97.73 152.14 19.43 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 121.049 -0.26 . . . . 73.4 110.601 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.2 -177.7 4.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.405 -0.361 . . . . 63.03 110.29 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -55.63 -57.69 10.92 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.685 0.278 . . . . 65.34 111.6 -177.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.421 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 61.5 m -63.65 -35.98 82.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.449 -0.341 . . . . 53.04 111.295 -177.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.36 -39.78 77.86 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.128 0.49 . . . . 64.43 110.252 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.51 -42.96 91.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.801 -0.636 . . . . 74.02 110.621 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -58.56 -35.36 72.24 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.124 -0.489 . . . . 75.45 111.099 178.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 73' ' ' SER . 28.4 mmt180 -63.28 -43.32 98.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.009 0.433 . . . . 62.33 110.868 177.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -73.15 -41.42 63.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.71 -0.677 . . . . 75.04 110.783 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 71.1 mt -65.59 -21.34 66.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.507 -0.77 . . . . 71.45 112.104 -177.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.614 ' O ' HG12 ' A' ' 84' ' ' ILE . 73.3 m -50.4 -32.32 17.3 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.124 0.416 . . . . 62.41 112.124 176.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.5 p -63.63 -47.53 80.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.183 0.516 . . . . 73.53 110.917 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.639 HG23 ' HE2' ' A' ' 85' ' ' TYR . 72.8 mt -69.72 -36.59 70.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.75 -0.659 . . . . 70.14 109.97 177.376 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.415 ' HB3' ' HA ' ' A' ' 80' ' ' SER . 77.2 tttt -54.07 -43.17 70.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.555 -0.748 . . . . 74.3 111.422 176.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.614 HG12 ' O ' ' A' ' 80' ' ' SER . 41.7 mm -54.73 -51.25 53.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 112.332 0.493 . . . . 73.14 112.332 -176.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.639 ' HE2' HG23 ' A' ' 82' ' ' ILE . 1.7 p90 -72.82 -28.99 62.88 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 120.045 -0.662 . . . . 65.42 110.629 -173.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.501 ' O ' HG13 ' A' ' 90' ' ' ILE . 86.9 t -75.83 -47.98 30.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.222 0.534 . . . . 60.11 110.188 176.215 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 m -62.04 -35.42 78.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.239 -0.892 . . . . 73.25 112.142 -176.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.09 83.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.145 0.498 . . . . 54.2 110.609 176.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.431 ' HB1' ' HB3' ' A' ' 94' ' ' TYR . . . -75.65 -28.36 58.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.723 -0.671 . . . . 63.41 110.835 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 86' ' ' VAL . 80.1 mt -66.72 -44.27 89.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.084 0.468 . . . . 62.03 110.257 177.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -65.09 -42.75 93.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.718 -0.673 . . . . 75.44 111.164 -178.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.457 ' HD2' ' HA ' ' A' ' 92' ' ' LYS . 38.0 tptt -69.29 -34.81 75.28 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.868 -0.333 . . . . 72.53 110.881 -178.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 116.71 17.22 6.06 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.448 -0.882 . . . . 70.12 113.144 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.575 ' HE2' ' HB2' ' A' ' 49' ' ' PHE . 87.7 t80 -87.23 -46.57 9.6 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.451 -0.574 . . . . 64.05 109.451 175.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.613 ' SD ' ' HA ' ' A' ' 50' ' ' HIS . 90.8 mmm -93.21 105.58 17.64 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.911 -0.586 . . . . 64.44 109.428 174.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -82.06 -33.58 29.82 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.552 -0.749 . . . . 75.5 111.271 -174.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -119.73 134.65 55.15 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.066 -0.515 . . . . 61.1 110.459 177.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -80.57 150.61 70.37 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.556 -0.747 . . . . 73.04 111.071 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -79.97 -4.06 13.1 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.957 2.438 . . . . 63.24 113.217 -178.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.714 ' HB2' ' HD2' ' A' ' 103' ' ' PHE . 29.6 p90 -109.25 19.08 19.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.439 1.114 . . . . 73.33 110.745 -178.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.598 ' HA ' HD23 ' A' ' 105' ' ' LEU . 12.4 mmtt -52.25 -25.56 9.66 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 112.926 -1.943 . . . . 74.35 113.06 179.179 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -74.08 -16.58 61.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.903 0.382 . . . . 62.51 111.273 -176.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.714 ' HD2' ' HB2' ' A' ' 100' ' ' PHE . 52.2 m-85 -74.82 -21.57 59.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.229 -0.441 . . . . 71.44 110.152 176.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 96.46 106.6 2.31 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.662 -0.78 . . . . 75.34 112.134 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.598 HD23 ' HA ' ' A' ' 101' ' ' LYS . 4.2 mm? -108.35 159.88 16.31 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 120.845 0.355 . . . . 63.41 110.21 -178.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -63.75 127.34 30.93 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.287 -0.87 . . . . 64.3 110.609 -177.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -83.06 73.21 10.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.325 0.583 . . . . 63.34 110.493 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.447 ' O ' ' HB2' ' A' ' 109' ' ' HIS . 6.6 t60 -87.29 72.62 9.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.36 -0.837 . . . . 71.42 109.362 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' HIS . . . . . 0.447 ' HB2' ' O ' ' A' ' 108' ' ' HIS . 7.0 m170 69.93 153.45 0.11 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 124.082 0.864 . . . . 73.14 111.222 -172.069 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -96.01 -12.57 24.76 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.855 -0.795 . . . . 63.02 108.855 175.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -153.98 142.88 21.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.648 -1.16 . . . . 63.34 108.515 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 16.7 p80 . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.147 -0.93 . . . . 73.12 110.13 177.392 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.747 0.308 . . . . 73.32 110.804 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.456 ' O ' ' HB2' ' A' ' 3' ' ' ASN . 61.8 m-80 -136.42 -46.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.547 -0.297 . . . . 74.55 110.437 173.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' A' ' 2' ' ' ASN . 1.0 OUTLIER 70.73 149.5 0.12 Allowed Pre-proline 0 N--CA 1.467 0.403 0 O-C-N 123.907 0.754 . . . . 74.03 110.486 -173.31 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.89 96.99 0.27 Allowed 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.684 2.256 . . . . 71.13 112.189 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.9 m -152.23 106.78 3.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.953 -0.567 . . . . 52.32 110.577 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -97.17 6.84 47.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.907 0.861 . . . . 50.42 110.457 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.691 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 52.6 m-85 -126.26 174.35 8.61 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.723 -1.126 . . . . 75.21 109.877 178.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -58.79 -44.53 90.75 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.997 0.427 . . . . 65.42 110.727 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.8 m -156.2 -178.53 7.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.855 -0.611 . . . . 74.44 110.52 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.439 ' O ' HG23 ' A' ' 14' ' ' VAL . 30.2 p90 -56.37 -41.16 75.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.868 -0.606 . . . . 74.14 111.497 179.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.821 ' HB2' ' HB3' ' A' ' 37' ' ' MET . 12.9 p-80 -62.79 -24.56 67.8 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.452 -0.34 . . . . 72.05 111.575 -174.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.691 ' HB2' ' HB3' ' A' ' 7' ' ' PHE . 7.4 m-20 -76.62 -45.85 28.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.928 0.394 . . . . 72.51 110.347 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -68.06 -43.52 78.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.941 -0.572 . . . . 74.43 110.18 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.498 ' CG2' ' HB2' ' A' ' 85' ' ' TYR . 86.8 t -61.14 -39.72 83.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.178 -0.465 . . . . 65.33 110.551 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.55 98.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.505 -0.316 . . . . 74.01 110.836 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -71.15 -38.11 72.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.998 0.427 . . . . 54.11 110.673 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -69.94 -42.55 73.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.047 0.451 . . . . 72.51 109.979 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.68 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 34.3 ttm -67.37 -35.08 78.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.981 -0.554 . . . . 63.4 110.043 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -55.83 -33.84 64.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.619 -0.718 . . . . 62.13 110.506 174.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.2 m -69.2 -52.83 23.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.653 -0.703 . . . . 72.31 111.611 -177.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.68 ' CE2' ' HA ' ' A' ' 18' ' ' MET . 16.2 p90 -90.03 3.55 52.87 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 120.73 -0.388 . . . . 65.44 111.548 -176.116 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.9 t -62.24 -10.68 11.5 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.063 0.459 . . . . 64.23 110.801 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -65.94 -30.59 71.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.678 -0.692 . . . . 74.03 110.389 178.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -102.55 -9.65 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 73.53 110.783 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.451 HD13 ' HE1' ' A' ' 21' ' ' TYR . 14.7 tp -89.23 128.25 35.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.497 -0.32 . . . . 74.1 110.21 -173.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.21 150.88 33.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.838 -0.619 . . . . 71.24 109.542 173.459 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.9 mm -67.19 -32.73 58.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.934 -0.575 . . . . 63.13 110.578 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.28 -54.01 28.67 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 121.203 -0.522 . . . . 72.31 113.303 -178.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.421 HG23 ' HG ' ' A' ' 25' ' ' LEU . 1.8 t -67.61 -52.06 42.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.018 0.409 . . . . 75.42 111.042 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.401 ' HB2' HD23 ' A' ' 25' ' ' LEU . 82.3 t80 -50.19 -49.69 51.7 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 123.203 0.314 . . . . 73.01 111.692 178.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -61.94 -21.87 65.15 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.215 0.821 . . . . 71.11 113.215 -173.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -85.79 -63.05 1.39 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.207 0.447 . . . . 63.44 112.207 -175.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -84.02 11.84 7.25 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.446 0.535 . . . . 74.03 112.446 -172.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.491 ' HD3' ' N ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -80.93 -33.29 34.16 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.057 0.455 . . . . 71.24 110.152 172.693 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.491 ' N ' ' HD3' ' A' ' 34' ' ' LYS . 15.6 m -75.5 -33.86 60.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.394 -0.821 . . . . 71.11 110.749 -179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.0 m -55.75 -52.2 64.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.799 -0.637 . . . . 61.11 111.51 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.821 ' HB3' ' HB2' ' A' ' 11' ' ' HIS . 71.7 mtm -60.6 -26.99 67.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.259 -0.882 . . . . 74.33 111.978 -178.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 5.8 mpt_? -77.13 -38.32 52.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.114 0.483 . . . . 63.25 111.024 178.68 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -73.33 -51.37 17.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.698 -0.683 . . . . 75.43 112.265 -172.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -68.61 3.25 1.93 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.893 1.072 . . . . 53.21 113.893 -169.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 38' ' ' ARG . 23.6 pttm -85.19 7.36 22.2 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.908 -0.495 . . . . 70.42 111.614 -175.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.69 -34.35 77.66 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.925 0.342 . . . . 73.15 111.925 -173.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -77.34 -14.28 59.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.657 0.265 . . . . 74.41 111.0 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.8 t 58.4 35.1 24.54 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.839 -0.619 . . . . 73.11 110.473 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -110.73 142.22 42.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.131 -0.486 . . . . 71.21 110.401 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.11 -138.65 8.34 Favored Glycine 0 N--CA 1.439 -1.121 0 N-CA-C 110.898 -0.881 . . . . 63.42 110.898 172.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.564 ' HG ' ' HB2' ' A' ' 51' ' ' GLU . 12.7 tp -166.51 135.37 2.94 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.432 -0.581 . . . . 65.4 109.432 -179.448 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -81.84 168.18 18.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.222 0.534 . . . . 65.13 110.616 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.416 ' HB2' ' SD ' ' A' ' 95' ' ' MET . 34.4 p90 -62.61 -42.54 99.64 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.223 -0.899 . . . . 71.53 111.488 -176.085 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -77.41 -10.69 59.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.858 -0.61 . . . . 52.44 111.333 -177.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.564 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . 48.4 mt-10 -84.45 -30.2 25.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.911 0.386 . . . . 74.3 110.164 177.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.402 HD23 HD23 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -72.45 98.89 2.35 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.226 -0.657 . . . . 71.14 109.226 178.723 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.9 p -137.46 172.33 13.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.75 -0.659 . . . . 52.42 110.672 -175.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.453 ' HG3' ' HA ' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -54.78 -42.37 71.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.137 0.494 . . . . 61.51 109.974 174.625 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -51.05 -46.8 61.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.983 -1.008 . . . . 63.3 111.26 176.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -61.66 -48.15 82.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.034 -0.53 . . . . 70.12 110.744 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.74 -42.92 84.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.476 -0.329 . . . . 65.52 111.151 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.471 ' O ' HG12 ' A' ' 62' ' ' ILE . 60.6 mtp180 -63.26 -55.62 23.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.026 0.441 . . . . 64.54 110.663 178.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -57.95 -44.73 87.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.249 -0.887 . . . . 75.24 111.715 -177.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -68.8 -36.77 78.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 62.32 110.367 -178.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 58.9 tp -58.74 -49.88 76.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 71.53 110.345 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 58' ' ' ARG . 51.6 mm -57.48 -47.92 83.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.582 -0.736 . . . . 62.02 110.512 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -56.43 -42.05 77.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.198 0.523 . . . . 74.33 110.824 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.583 ' O ' ' HB2' ' A' ' 68' ' ' LEU . 3.2 ttp -68.55 -38.5 80.85 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.762 -0.653 . . . . 60.33 111.653 -177.326 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 69' ' ' CYS . 19.4 ptmt -84.83 -23.1 29.21 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.512 -0.475 . . . . 72.12 111.902 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -90.51 -62.05 1.54 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.67 -0.241 . . . . 72.52 110.912 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.9 m -74.4 -47.76 31.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.858 0.361 . . . . 54.52 111.01 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.583 ' HB2' ' O ' ' A' ' 64' ' ' MET . 96.9 mt -84.02 -18.09 38.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 74.14 110.904 -178.238 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.509 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 33.0 t 64.66 29.82 12.79 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.908 -0.587 . . . . 74.21 111.617 176.131 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -89.7 148.42 23.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.077 -0.389 . . . . 75.54 110.339 178.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.17 170.35 14.83 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.477 -0.329 . . . . 32.14 110.388 -178.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -59.97 -43.56 95.01 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.032 0.444 . . . . 70.43 110.882 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.64 ' O ' ' HD3' ' A' ' 77' ' ' ARG . 14.8 m -60.02 -25.58 65.41 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.136 -0.484 . . . . 64.34 110.749 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.2 m -86.79 -53.42 4.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.311 0.577 . . . . 62.44 110.781 175.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.65 -41.77 99.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.378 -0.828 . . . . 54.54 112.437 -173.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.423 ' HB2' HH11 ' A' ' 77' ' ' ARG . 0.9 OUTLIER -58.77 -34.22 71.19 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.884 0.474 . . . . 70.5 111.263 -179.074 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.64 ' HD3' ' O ' ' A' ' 73' ' ' SER . 10.3 mpt_? -77.72 -30.25 51.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.857 0.361 . . . . 74.1 110.408 -178.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.578 ' O ' HG22 ' A' ' 81' ' ' THR . 56.9 t30 -73.83 -43.99 57.04 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.338 -0.392 . . . . 53.43 110.0 176.062 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.8 mt -59.4 -32.41 70.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 73.31 110.486 176.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.468 ' O ' HG13 ' A' ' 84' ' ' ILE . 73.3 m -59.79 -26.6 65.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.994 -0.548 . . . . 75.21 112.237 177.19 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 78' ' ' ASN . 1.3 t -71.27 -36.57 71.77 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.842 -0.429 . . . . 75.51 109.842 -178.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 96.7 mt -75.98 -32.51 23.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 121.037 0.446 . . . . 73.52 109.861 174.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -57.2 -37.02 71.56 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.696 -0.684 . . . . 72.04 110.721 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 80' ' ' SER . 67.0 mt -58.86 -41.14 81.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.787 0.327 . . . . 62.5 110.627 178.039 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.498 ' HB2' ' CG2' ' A' ' 14' ' ' VAL . 65.8 t80 -69.7 -48.3 60.1 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.775 -0.454 . . . . 72.43 109.775 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.624 ' O ' HG13 ' A' ' 90' ' ' ILE . 80.0 t -60.01 -49.72 82.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.516 -0.765 . . . . 64.31 110.676 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.513 ' HA ' HD12 ' A' ' 90' ' ' ILE . 2.7 m -62.42 -38.13 88.5 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.559 -0.746 . . . . 54.2 111.632 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.37 -37.04 85.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.231 0.539 . . . . 71.44 110.034 175.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.74 -23.63 64.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.64 -0.709 . . . . 75.21 111.266 177.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.624 HG13 ' O ' ' A' ' 86' ' ' VAL . 62.6 mt -79.66 -38.93 19.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.094 0.473 . . . . 62.23 110.143 176.064 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -77.39 -45.12 26.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.87 -0.604 . . . . 73.34 111.299 -175.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -141.0 31.46 1.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.961 0.41 . . . . 52.11 111.829 -174.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -120.69 -97.43 1.58 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.385 -0.912 . . . . 74.11 112.73 -179.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -148.34 -32.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.603 0.239 . . . . 64.33 110.926 -176.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.438 ' HB2' ' HA ' ' A' ' 90' ' ' ILE . 98.8 mmm -53.0 131.38 36.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.951 -0.568 . . . . 55.23 111.35 -177.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -78.13 -46.39 20.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.744 -0.662 . . . . 75.15 110.215 -176.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -141.29 172.51 12.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.037 -0.529 . . . . 75.13 110.082 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.456 ' OD2' ' HG2' ' A' ' 101' ' ' LYS . 4.1 p-10 -85.71 144.18 39.35 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.86 -0.609 . . . . 73.21 110.66 178.286 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.01 -4.72 15.2 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.805 2.337 . . . . 65.51 113.786 -173.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.606 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 52.8 p90 -102.6 -0.25 32.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.63 0.729 . . . . 72.35 111.35 -178.115 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.93 ' HA ' ' HE2' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -55.98 -44.74 78.86 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.8 -1.091 . . . . 73.43 110.732 175.306 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.565 ' HA ' ' O ' ' A' ' 106' ' ' GLU . 18.3 t70 -106.66 17.67 22.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.7 0.762 . . . . 65.03 109.904 -177.101 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.606 ' HB2' ' HA ' ' A' ' 100' ' ' PHE . 20.6 t80 -58.6 -40.33 82.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.157 -0.929 . . . . 73.24 111.759 -175.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -173.53 -65.16 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 119.892 -1.147 . . . . 72.04 113.425 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.8 tt -58.36 -45.05 88.93 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.04 0.448 . . . . 61.13 110.735 -175.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.565 ' O ' ' HA ' ' A' ' 102' ' ' ASP . 32.9 mt-10 -109.58 132.24 54.32 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.96 -0.385 . . . . 73.54 109.96 178.032 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -127.21 146.61 50.35 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.329 -0.396 . . . . 73.34 110.409 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 62.75 45.83 5.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.854 -0.612 . . . . 65.4 109.871 178.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' HIS . . . . . 0.511 ' O ' ' HB3' ' A' ' 110' ' ' HIS . 27.4 t-80 68.46 2.92 3.55 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.714 -0.676 . . . . 75.25 111.402 178.213 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.563 ' HB2' ' HB3' ' A' ' 106' ' ' GLU . 21.3 t-80 70.48 127.73 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 122.714 0.406 . . . . 75.13 110.43 -176.062 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -56.91 112.39 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 64.32 110.054 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 6.3 t60 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.625 -0.702 . . . . 74.44 109.693 -176.216 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 121.027 0.441 . . . . 75.23 110.041 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -162.27 -158.2 0.51 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.854 -0.795 . . . . 74.1 108.854 -178.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 45.2 t30 66.02 84.28 0.18 Allowed Pre-proline 0 N--CA 1.464 0.264 0 CA-C-O 121.156 0.503 . . . . 74.22 110.254 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -84.68 -10.41 8.52 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.794 2.33 . . . . 62.32 113.386 -175.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 p -79.62 50.95 1.2 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.353 0.597 . . . . 75.54 110.672 -177.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -95.22 4.01 53.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.626 0.727 . . . . 72.42 111.014 -175.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.566 ' HB3' ' CB ' ' A' ' 12' ' ' ASP . 3.7 m-85 -92.88 124.42 36.85 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.588 -0.733 . . . . 72.42 109.19 176.28 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.548 ' HB2' ' NZ ' ' A' ' 8' ' ' LYS . 9.8 mtmp? -89.92 -28.28 19.28 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.315 -0.402 . . . . 73.34 111.18 -177.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.545 ' HA ' ' HA2' ' A' ' 46' ' ' GLY . 11.2 m -144.1 175.69 9.86 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.9 0.381 . . . . 62.23 111.827 -166.257 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.657 ' HE1' ' H ' ' A' ' 44' ' ' CYS . 47.4 p90 -59.12 -38.32 79.32 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.787 -0.642 . . . . 63.11 111.554 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -64.85 -24.49 67.56 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 120.797 -0.361 . . . . 70.14 110.423 -178.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.566 ' CB ' ' HB3' ' A' ' 7' ' ' PHE . 23.5 m-20 -80.27 -48.29 13.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.117 0.484 . . . . 64.44 110.361 176.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -62.44 -49.02 77.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.714 -0.676 . . . . 74.51 111.092 -178.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.5 t -64.94 -34.46 70.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.045 -0.525 . . . . 72.34 110.572 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.63 -41.19 98.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.562 0.22 . . . . 54.34 111.083 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -68.24 -44.58 75.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.357 -0.383 . . . . 54.52 110.444 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -62.35 -43.24 99.29 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.219 0.533 . . . . 74.12 110.209 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.525 ' HG3' ' HE1' ' A' ' 30' ' ' PHE . 34.2 tpp -61.08 -47.21 87.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.237 -0.892 . . . . 75.34 110.16 178.228 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -57.96 -38.25 75.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.347 -0.842 . . . . 54.33 110.668 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 84.9 m -60.16 -51.35 69.98 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.177 -0.465 . . . . 62.11 112.058 -176.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.448 ' HE1' ' SD ' ' A' ' 18' ' ' MET . 4.2 p90 -84.22 -13.94 51.35 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.895 -0.503 . . . . 71.31 110.906 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.5 t -65.82 -11.55 47.26 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.083 -0.508 . . . . 65.12 111.462 177.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 23' ' ' ARG . 50.4 mtp180 -64.46 -22.06 66.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.963 0.411 . . . . 75.55 111.176 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -87.02 -41.51 13.81 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.091 -0.504 . . . . 63.2 111.36 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 2.4 pp -91.29 173.29 8.0 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 121.431 0.634 . . . . 73.21 111.916 -172.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -88.22 168.4 12.77 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.25 -0.887 . . . . 74.33 110.846 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.1 mm -66.79 -29.29 45.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.915 -0.584 . . . . 73.02 110.464 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.17 -51.73 48.57 Favored Glycine 0 CA--C 1.522 0.469 0 CA-C-N 116.036 -0.529 . . . . 42.34 113.494 -178.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.9 t -79.22 -36.52 39.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.796 0.331 . . . . 53.13 110.629 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.525 ' HE1' ' HG3' ' A' ' 18' ' ' MET . 37.6 t80 -54.34 -53.3 55.78 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.288 -0.414 . . . . 73.11 111.443 175.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.713 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 36.1 ptt180 -66.66 -25.54 66.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 73.05 111.129 -176.094 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -60.29 -34.68 74.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.325 -0.398 . . . . 75.35 111.043 -176.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -111.03 5.81 20.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.99 0.424 . . . . 75.33 110.693 177.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.713 ' HB3' ' HA ' ' A' ' 31' ' ' ARG . 79.6 tttt -96.3 -42.48 8.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.95 -0.568 . . . . 74.11 111.317 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.6 t -62.64 -29.51 70.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.472 -0.785 . . . . 75.34 112.22 -167.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 56.3 m -61.12 -62.44 1.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.87 0.367 . . . . 33.14 110.858 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 48.8 ttm -68.74 -28.9 67.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.857 -0.61 . . . . 74.23 110.982 -178.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.567 ' HG3' ' HE2' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -65.21 -44.23 88.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.273 -0.421 . . . . 71.31 110.958 -177.565 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -57.96 -67.31 0.35 Allowed 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.74 -0.664 . . . . 62.52 111.937 -177.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.54 ' HD1' ' HB3' ' A' ' 42' ' ' GLU . 7.9 t80 -71.85 -22.24 61.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.971 -0.558 . . . . 75.24 111.197 -176.314 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.5 pttt 46.72 35.35 3.03 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.093 0.957 . . . . 71.23 111.718 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.54 ' HB3' ' HD1' ' A' ' 40' ' ' PHE . 6.0 pt-20 -64.29 152.04 42.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.274 -0.876 . . . . 73.1 112.213 -175.257 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -155.21 139.02 16.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.581 -0.736 . . . . 63.13 110.753 -176.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.657 ' H ' ' HE1' ' A' ' 10' ' ' PHE . 48.2 t -98.41 60.79 1.38 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.089 -0.708 . . . . 71.34 109.089 174.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 68.65 -70.35 0.13 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.403 -0.817 . . . . 71.01 111.115 -176.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.545 ' HA2' ' HA ' ' A' ' 9' ' ' SER . . . -140.26 -130.33 2.64 Favored Glycine 0 N--CA 1.442 -0.955 0 N-CA-C 110.996 -0.842 . . . . 42.14 110.996 177.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.612 ' HG ' ' HB3' ' A' ' 10' ' ' PHE . 2.5 tm? -176.35 112.34 0.1 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.67 0.748 . . . . 72.42 111.097 170.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.427 ' H ' ' HB2' ' A' ' 51' ' ' GLU . 1.7 mp0 -126.55 -177.6 4.06 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 114.356 -1.293 . . . . 74.01 108.061 176.062 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -66.25 -34.58 78.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.139 0.495 . . . . 72.33 110.61 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.9 p-80 -73.48 -8.03 54.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.941 -0.572 . . . . 74.04 111.47 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.427 ' HB2' ' H ' ' A' ' 48' ' ' GLN . 30.1 mt-10 -110.25 6.17 22.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.965 0.412 . . . . 64.4 111.017 -178.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.608 HD23 HD21 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -128.62 87.19 2.55 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.023 -0.732 . . . . 74.41 109.023 178.011 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.461 ' O ' HD23 ' A' ' 57' ' ' LEU . 38.7 p -132.19 179.66 5.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.088 -0.506 . . . . 74.41 111.178 -174.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.529 ' CG ' ' HA ' ' A' ' 103' ' ' PHE . 6.7 tm-20 -57.9 -45.99 85.61 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.698 -0.482 . . . . 73.42 109.698 172.382 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.91 -36.44 79.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.683 -0.69 . . . . 54.33 110.662 -178.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.516 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 87.9 t80 -63.16 -51.42 66.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 61.25 110.336 176.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 53' ' ' THR . 4.3 mm? -61.28 -40.44 94.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.266 -0.424 . . . . 72.22 110.912 178.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -60.13 -53.72 54.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.603 -0.726 . . . . 74.22 110.998 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.77 -38.08 88.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 71.52 111.046 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.516 ' HB2' ' O ' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -71.3 -28.75 64.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.913 -0.585 . . . . 74.33 111.19 -176.467 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.7 tp -64.95 -48.15 75.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.173 0.511 . . . . 55.3 109.961 173.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.6 mm -59.4 -50.06 81.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.469 -0.787 . . . . 72.24 109.8 175.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -55.38 -38.31 68.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.449 -0.796 . . . . 74.05 111.17 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.6 ' HG2' ' CB ' ' A' ' 75' ' ' ALA . 22.1 tpp -62.76 -47.89 81.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.902 -0.59 . . . . 75.23 111.569 -178.677 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 12.5 tmtt? -83.03 -42.79 17.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.7 -0.682 . . . . 71.22 110.479 -174.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -73.9 -61.13 1.95 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.637 -0.711 . . . . 74.14 111.368 -176.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.3 m -80.35 -47.7 14.08 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.306 0.484 . . . . 73.04 112.306 -173.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.435 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 1.8 tt -80.24 -88.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.741 -0.384 . . . . 62.45 111.15 -171.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.435 ' SG ' ' O ' ' A' ' 68' ' ' LEU . 63.3 m -174.89 -49.09 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.134 0.492 . . . . 73.11 111.005 -171.108 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.695 ' HB3' ' HB ' ' A' ' 74' ' ' THR . 20.7 m-80 -61.05 140.11 57.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.985 -1.007 . . . . 75.24 112.619 -166.234 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.56 -177.81 6.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.175 -0.92 . . . . 64.31 109.577 174.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -50.01 -57.36 7.75 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.885 0.374 . . . . 72.51 111.483 -175.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.403 ' O ' ' HB2' ' A' ' 76' ' ' GLN . 17.9 m -57.42 -46.32 83.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.793 -0.639 . . . . 62.02 111.529 -176.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.695 ' HB ' ' HB3' ' A' ' 70' ' ' ASN . 1.4 m -71.34 -35.35 71.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.906 0.384 . . . . 54.32 110.819 -178.03 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.6 ' CB ' ' HG2' ' A' ' 64' ' ' MET . . . -59.27 -38.93 81.36 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.991 -0.55 . . . . 63.1 110.131 176.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 73' ' ' SER . 29.6 mm-40 -58.39 -35.01 71.36 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.377 -0.829 . . . . 64.44 110.971 178.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -70.71 -46.0 63.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 74.44 111.079 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -70.14 -21.77 63.05 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.079 0.466 . . . . 74.32 110.775 -177.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 93.0 mt -86.79 -31.92 20.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.027 0.441 . . . . 63.12 110.547 174.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.578 ' O ' HG13 ' A' ' 84' ' ' ILE . 34.9 t -64.0 -33.87 76.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.037 -0.529 . . . . 70.14 111.137 -179.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.2 p -60.75 -48.69 80.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.049 0.452 . . . . 61.54 110.479 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.4 mt -63.0 -40.3 88.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.607 -0.724 . . . . 74.44 110.221 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 87' ' ' SER . 21.2 tttm -59.21 -35.49 73.7 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.719 -0.673 . . . . 62.4 111.346 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.578 HG13 ' O ' ' A' ' 80' ' ' SER . 76.6 mt -59.95 -39.84 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.951 0.405 . . . . 73.23 110.439 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -72.94 -43.94 61.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 75.12 110.153 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.626 HG13 ' SD ' ' A' ' 95' ' ' MET . 90.6 t -62.43 -51.78 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.882 -0.599 . . . . 74.52 111.015 178.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 1.3 m -57.53 -35.61 70.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.706 -0.679 . . . . 70.25 111.454 179.447 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.61 -33.7 64.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.427 . . . . 73.53 110.953 177.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.609 ' HB1' ' HB3' ' A' ' 94' ' ' TYR . . . -67.7 -25.81 65.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.134 -0.484 . . . . 33.34 111.2 179.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 86' ' ' VAL . 58.9 mt -71.13 -39.52 73.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.084 0.469 . . . . 61.42 109.916 176.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.495 ' O ' ' HD3' ' A' ' 91' ' ' LYS . 8.1 tmtt? -66.82 -38.11 85.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.755 -0.657 . . . . 63.1 109.3 176.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -68.05 -32.63 73.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.528 -0.76 . . . . 73.34 110.765 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.69 24.85 7.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.894 -0.67 . . . . 65.15 112.345 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.609 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 66.5 t80 -90.36 -46.28 8.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.005 0.431 . . . . 74.15 110.07 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.626 ' SD ' HG13 ' A' ' 86' ' ' VAL . 87.2 mtp -109.9 149.1 30.39 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.144 -0.48 . . . . 71.21 110.593 178.389 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -77.43 -35.39 54.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.779 -0.646 . . . . 73.12 111.719 -176.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -155.72 157.67 36.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.265 -0.425 . . . . 74.01 111.457 -174.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.59 144.21 93.77 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.381 -0.827 . . . . 53.5 110.578 174.397 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -64.89 -27.43 58.87 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.381 2.054 . . . . 65.42 110.499 171.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -60.91 -29.73 69.76 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.104 -0.953 . . . . 72.32 110.838 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -72.08 -45.44 60.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.163 -0.471 . . . . 71.11 111.039 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -83.7 -11.14 57.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.932 -0.576 . . . . 63.32 110.673 -176.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.529 ' HA ' ' CG ' ' A' ' 54' ' ' GLU . 38.4 t80 -68.56 -18.95 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.54 -0.755 . . . . 64.21 110.913 -179.172 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.06 -132.22 2.98 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.585 -0.817 . . . . 32.14 112.233 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -152.17 113.09 4.2 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.985 -0.376 . . . . 74.01 109.985 -176.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -91.6 -75.51 0.47 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.12 0.486 . . . . 75.34 109.954 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -153.84 125.61 7.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.342 -0.845 . . . . 65.51 108.775 -178.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 38.5 t60 -69.6 126.59 30.21 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.319 -0.623 . . . . 72.23 109.319 177.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -53.91 129.87 35.44 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.414 0.446 . . . . 71.53 110.622 -177.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.479 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 54.7 t60 -74.5 -83.91 0.05 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.624 -0.262 . . . . 54.23 110.872 -178.544 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.479 ' HB2' ' O ' ' A' ' 110' ' ' HIS . 24.3 t-80 172.04 147.22 0.04 OUTLIER 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.858 -0.423 . . . . 72.42 109.858 -176.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.653 -0.689 . . . . 64.41 109.848 177.834 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 110.052 -0.351 . . . . 61.04 110.052 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -132.83 -62.75 0.8 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.231 -0.44 . . . . 73.41 109.925 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.461 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 16.8 m120 -91.65 144.2 29.13 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.925 -0.579 . . . . 75.45 110.211 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 3' ' ' ASN . 2.8 Cg_exo -75.7 165.74 29.68 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.847 2.364 . . . . 63.23 111.604 176.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 m -75.09 77.26 2.26 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.228 0.537 . . . . 64.31 110.339 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -99.74 4.07 45.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.543 0.687 . . . . 62.23 110.842 -177.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -89.18 120.59 30.7 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.139 -0.937 . . . . 61.11 109.611 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -78.13 -25.99 47.65 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.328 -0.396 . . . . 71.13 111.43 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.8 p -157.85 -173.44 4.37 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.077 0.465 . . . . 52.44 111.484 -174.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.435 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.5 p90 -57.84 -40.63 80.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.263 -0.881 . . . . 74.22 111.771 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -73.69 -23.36 59.8 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 120.699 -0.4 . . . . 74.35 111.286 -174.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.79 -41.8 51.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.95 0.405 . . . . 64.22 110.334 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.593 ' CD1' ' HB2' ' A' ' 85' ' ' TYR . 24.4 t80 -62.83 -42.73 99.85 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.417 -0.586 . . . . 74.12 109.417 177.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.466 ' O ' ' HB2' ' A' ' 18' ' ' MET . 54.3 t -56.83 -55.34 20.52 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.304 0 CA-C-N 115.198 -0.91 . . . . 73.5 111.184 177.115 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.06 -28.99 63.05 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.143 0.423 . . . . 45.43 112.143 -175.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.3 t -78.92 -45.19 21.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.717 -0.22 . . . . 74.11 111.238 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -77.44 -40.32 43.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.228 0.537 . . . . 74.11 110.422 -177.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.595 ' HB3' ' HE1' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -62.67 -28.34 69.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.385 -0.825 . . . . 73.24 111.474 178.248 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -49.83 -32.71 14.84 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.929 -0.578 . . . . 72.13 110.972 175.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.5 m -57.7 -56.07 26.67 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.294 -0.412 . . . . 55.03 112.089 -178.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.599 ' HE2' HD22 ' A' ' 25' ' ' LEU . 31.1 p90 -89.79 -7.06 55.25 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 121.041 -0.264 . . . . 71.23 111.12 -176.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.4 t -58.3 -21.02 47.46 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.488 -0.324 . . . . 72.44 111.468 176.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -68.23 -23.16 64.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.055 0.455 . . . . 70.11 110.833 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -112.81 13.29 19.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.964 -0.562 . . . . 71.23 110.422 -174.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.599 HD22 ' HE2' ' A' ' 21' ' ' TYR . 16.2 tp -127.94 139.91 52.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.83 -0.623 . . . . 70.45 109.703 -179.125 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -65.03 142.54 58.38 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.205 -0.452 . . . . 65.52 110.773 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.5 mm -61.03 -35.61 66.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.768 -0.651 . . . . 64.43 110.196 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.29 -47.76 79.87 Favored Glycine 0 CA--C 1.519 0.317 0 CA-C-N 115.826 -0.625 . . . . 50.43 112.685 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.496 HG23 ' HG ' ' A' ' 25' ' ' LEU . 8.8 t -79.44 -43.14 23.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.579 -0.365 . . . . 75.3 110.869 -178.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.595 ' HE1' ' HB3' ' A' ' 18' ' ' MET . 83.4 t80 -54.71 -44.31 73.36 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.821 0.344 . . . . 75.41 111.921 177.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.437 ' HB2' ' OG ' ' A' ' 35' ' ' SER . 22.2 ptt180 -69.59 -19.21 63.66 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.658 0.244 . . . . 65.23 111.658 -175.145 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -56.94 -24.01 49.68 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.819 0.342 . . . . 72.01 110.964 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -104.83 -60.86 1.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.19 -0.459 . . . . 75.11 109.78 176.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -51.05 -54.37 25.36 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.303 -0.862 . . . . 74.42 112.782 -175.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.437 ' OG ' ' HB2' ' A' ' 31' ' ' ARG . 27.3 m -74.82 -23.68 58.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.66 0.267 . . . . 51.43 111.548 -173.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 39' ' ' LYS . 69.5 m -80.39 -45.43 17.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.914 0.388 . . . . 50.1 111.544 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 81.8 mtp -61.79 -27.12 68.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.107 -0.497 . . . . 65.54 111.282 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -78.94 -26.15 43.6 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.054 0.39 . . . . 74.2 112.054 176.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.983 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -52.7 -63.05 1.27 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 114.323 1.231 . . . . 73.11 114.323 -169.68 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -46.56 -51.07 16.36 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.881 0.738 . . . . 72.14 111.587 -173.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.0 tttm 48.11 94.43 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.824 1.046 . . . . 72.23 113.824 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -90.0 -85.23 0.22 Allowed 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.812 -0.555 . . . . 73.3 110.105 170.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -116.45 15.24 15.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.186 -0.461 . . . . 72.3 109.978 176.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 66.3 m 72.58 -0.38 3.33 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.142 -0.935 . . . . 74.34 110.416 -173.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.23 150.99 20.92 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.919 -1.141 . . . . 63.33 107.919 175.459 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 175.55 98.83 0.11 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.27 -0.967 . . . . 55.41 113.202 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.618 HD11 HD23 ' A' ' 52' ' ' LEU . 3.0 tm? 74.61 127.34 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.62 0.724 . . . . 44.45 111.735 171.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.49 -174.55 2.48 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.623 -0.717 . . . . 63.41 109.928 177.426 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -82.88 -23.5 33.59 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 113.441 0.904 . . . . 63.33 113.441 -168.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -89.39 -27.94 20.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.311 0.577 . . . . 72.32 110.534 -178.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -87.36 -3.04 59.02 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.365 -0.834 . . . . 74.11 110.781 177.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.618 HD23 HD11 ' A' ' 47' ' ' LEU . 3.2 tm? -81.81 105.94 13.34 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.081 -0.711 . . . . 74.13 109.081 175.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.493 ' O ' HD23 ' A' ' 57' ' ' LEU . 77.9 p -135.04 174.02 11.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.98 -0.554 . . . . 72.11 110.466 -178.038 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.597 ' HG2' ' HD1' ' A' ' 103' ' ' PHE . 9.2 tm-20 -57.74 -38.74 75.87 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.22 -0.659 . . . . 74.35 109.22 171.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.85 -41.94 88.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.491 -0.777 . . . . 72.2 110.647 176.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.485 ' CE2' ' HG ' ' A' ' 47' ' ' LEU . 71.0 t80 -66.67 -44.66 81.24 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.877 -0.329 . . . . 72.42 110.653 179.371 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.545 HD13 HD22 ' A' ' 79' ' ' LEU . 4.3 mm? -54.59 -42.22 70.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.227 0.537 . . . . 70.0 110.101 176.232 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.448 ' HD3' ' N ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -66.86 -43.49 83.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.445 -0.798 . . . . 74.31 111.387 176.358 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.448 ' N ' ' HD3' ' A' ' 58' ' ' ARG . 31.4 t70 -69.04 -42.77 75.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.85 0.357 . . . . 71.33 111.169 -177.05 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -66.73 -32.57 73.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.297 -0.411 . . . . 74.42 109.932 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 50.3 tp -59.2 -49.68 76.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.901 -0.59 . . . . 62.51 110.204 173.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.97 -46.7 95.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.685 -0.688 . . . . 75.53 110.715 177.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -57.56 -37.79 73.72 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.018 -0.537 . . . . 73.22 110.601 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.735 ' HG2' ' HB2' ' A' ' 75' ' ' ALA . 8.4 tpp -62.2 -42.86 99.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.696 -0.684 . . . . 71.44 110.791 178.699 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -78.82 -41.0 31.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.94 -0.573 . . . . 71.51 110.543 -177.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -74.47 -65.04 0.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.993 -0.549 . . . . 74.03 111.561 -176.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.5 m -80.99 -49.84 10.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.247 -0.433 . . . . 71.32 111.778 -174.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 64' ' ' MET . 87.1 mt -77.75 -14.47 59.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.649 -0.25 . . . . 74.13 111.36 -174.258 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 60.6 m 65.15 27.69 12.32 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.645 0.59 . . . . 70.51 111.946 174.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -104.86 151.14 24.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.203 0.525 . . . . 73.54 111.198 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.41 165.97 23.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.454 -0.794 . . . . 73.24 111.708 -176.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -56.33 -39.01 72.12 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.692 -0.685 . . . . 74.01 111.179 -178.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.1 m -59.66 -41.0 89.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.766 0.317 . . . . 33.41 111.139 -178.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.3 m -72.99 -42.14 63.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.017 0.437 . . . . 60.24 110.211 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.735 ' HB2' ' HG2' ' A' ' 64' ' ' MET . . . -61.53 -47.61 84.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.879 -0.6 . . . . 72.13 111.262 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -57.79 -39.58 77.85 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.974 -0.557 . . . . 62.23 111.35 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -70.41 -38.97 74.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.202 -0.454 . . . . 71.12 111.234 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.407 ' O ' HG13 ' A' ' 82' ' ' ILE . 96.0 m-20 -65.57 -38.91 90.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.036 0.446 . . . . 61.13 110.314 176.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.596 HD23 HD12 ' A' ' 82' ' ' ILE . 98.3 mt -68.93 -33.14 73.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.749 -0.66 . . . . 75.45 110.369 177.093 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.581 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 16.0 t -62.79 -33.33 74.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.043 -0.526 . . . . 75.53 111.178 178.228 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.57 -27.27 58.52 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.777 -0.369 . . . . 74.31 110.92 175.247 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.596 HD12 HD23 ' A' ' 79' ' ' LEU . 60.9 mt -66.56 -46.39 86.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 73.11 111.044 178.332 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' A' ' 80' ' ' SER . 3.2 pptp? -59.06 -28.76 66.77 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.741 -0.208 . . . . 74.54 111.137 179.438 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.8 mm -61.05 -52.96 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 121.071 -0.252 . . . . 62.31 111.247 177.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.593 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 1.9 p90 -73.52 -32.95 64.52 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 120.584 -0.446 . . . . 74.23 110.472 -176.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.547 ' O ' HG13 ' A' ' 90' ' ' ILE . 73.2 t -64.19 -48.86 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.68 -0.489 . . . . 63.22 109.68 175.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 1.7 m -58.01 -38.6 76.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.594 -0.73 . . . . 75.21 111.169 176.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.5 -33.79 76.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.036 0.446 . . . . 63.21 111.198 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.54 -28.17 58.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.312 -0.404 . . . . 51.3 110.912 177.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.601 HG12 ' HB3' ' A' ' 95' ' ' MET . 75.5 mt -70.18 -41.63 78.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.469 -0.332 . . . . 72.41 111.058 -179.303 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -65.75 -34.5 78.34 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.842 -0.343 . . . . 72.43 111.074 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -89.59 -1.12 57.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.197 0.522 . . . . 74.03 110.932 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.03 17.84 73.61 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.83 -0.623 . . . . 71.23 113.912 172.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -83.05 -29.6 28.69 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.601 -0.889 . . . . 72.32 108.601 175.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.601 ' HB3' HG12 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -111.2 124.45 52.24 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 107.884 -1.154 . . . . 72.11 107.884 172.018 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -81.85 -37.18 27.36 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 113.404 0.89 . . . . 74.31 113.404 -168.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -139.3 147.42 41.59 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.45 -0.5 . . . . 74.23 111.22 -170.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.13 139.32 65.0 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 116.003 -0.544 . . . . 70.53 111.297 -178.374 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -96.08 -23.94 0.13 Allowed 'Trans proline' 0 N--CA 1.448 -1.191 0 C-N-CA 123.142 2.562 . . . . 72.12 111.889 170.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.721 ' HA ' ' HB3' ' A' ' 103' ' ' PHE . 98.0 m-85 -84.58 -15.25 46.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.995 -0.548 . . . . 74.33 110.84 -174.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.92 -38.49 91.15 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 109.325 -0.62 . . . . 71.5 109.325 175.011 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.7 -28.93 22.81 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 115.822 -0.626 . . . . 74.34 110.624 175.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.721 ' HB3' ' HA ' ' A' ' 100' ' ' PHE . 71.4 t80 -61.67 -35.47 78.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.536 -0.756 . . . . 75.32 109.871 177.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -72.94 -69.83 1.33 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.662 -0.78 . . . . 44.12 111.159 171.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 52.1 tp 178.29 143.2 0.11 Allowed 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.617 -0.512 . . . . 73.14 109.617 177.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.07 90.4 3.62 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.947 -0.76 . . . . 74.55 108.947 176.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -83.48 115.15 21.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.945 -0.57 . . . . 75.15 110.512 -175.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -73.78 75.07 1.59 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.574 -0.739 . . . . 75.5 111.244 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -82.31 107.16 14.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.442 -0.799 . . . . 73.53 109.024 173.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.0 t60 62.43 -140.52 0.42 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.398 -0.964 . . . . 71.33 108.398 -177.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 58.4 m170 69.21 15.77 8.57 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.691 0.281 . . . . 73.42 111.66 173.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.456 -0.783 . . . . 72.0 109.814 178.492 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 121.024 0.44 . . . . 74.12 110.708 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -84.57 156.11 21.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.167 -0.469 . . . . 62.54 109.773 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.4 t30 58.15 79.93 0.3 Allowed Pre-proline 0 C--N 1.33 -0.274 0 O-C-N 123.623 0.577 . . . . 44.32 109.724 -172.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -64.67 -50.05 2.72 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.822 2.348 . . . . 74.25 112.166 -176.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 m -87.72 110.13 20.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.074 -0.512 . . . . 51.44 110.474 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -85.6 6.4 27.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.65 0.738 . . . . 62.34 110.987 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.473 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 1.6 p90 -118.03 108.08 14.8 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.297 -0.865 . . . . 72.24 111.551 -177.232 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -94.69 -16.39 23.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.118 -0.947 . . . . 74.14 109.678 172.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 m -102.33 145.47 29.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.044 -0.98 . . . . 74.24 111.515 -171.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.488 ' O ' HG23 ' A' ' 14' ' ' VAL . 35.2 p90 -55.33 -42.52 73.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.103 -0.499 . . . . 72.12 110.851 177.123 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -66.5 -32.51 73.92 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.585 -0.28 . . . . 75.45 111.629 -178.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.473 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 1.1 m-20 -80.49 -34.69 35.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.652 -0.249 . . . . 73.32 111.085 179.201 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.496 ' CD2' ' HD1' ' A' ' 85' ' ' TYR . 65.8 t80 -60.0 -49.3 78.2 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.705 -0.48 . . . . 75.35 109.705 174.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 10' ' ' PHE . 84.9 t -58.65 -45.09 90.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.818 -0.628 . . . . 50.24 110.668 178.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.35 97.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.412 -0.358 . . . . 54.13 111.421 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.87 -44.32 73.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 120.757 0.313 . . . . 75.25 110.852 -179.263 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -64.82 -34.43 78.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.518 0.675 . . . . 75.22 109.801 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.483 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 30.4 ttm -71.19 -26.75 63.09 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.184 -0.916 . . . . 51.23 111.231 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -50.87 -48.7 60.17 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.72 0.295 . . . . 73.23 111.414 175.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.9 m -69.67 -33.63 72.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.37 0.605 . . . . 43.0 110.24 177.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.483 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 80.3 t80 -66.96 -30.58 70.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.6 -0.727 . . . . 75.31 110.493 177.213 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.533 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 31.9 t -71.15 -14.48 62.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.789 -0.641 . . . . 75.32 111.158 -178.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -63.02 -31.8 73.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.329 0.585 . . . . 71.34 109.543 173.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -105.78 13.32 29.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.467 -0.788 . . . . 70.24 110.141 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.657 ' HG ' HG23 ' A' ' 29' ' ' THR . 13.7 tp -124.75 142.51 51.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.169 -0.469 . . . . 62.51 110.061 -176.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.53 154.97 41.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.78 0.324 . . . . 73.44 110.287 173.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.7 mt -65.88 -34.53 70.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.895 -0.593 . . . . 74.42 110.183 178.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.3 -58.82 12.38 Favored Glycine 0 CA--C 1.518 0.27 0 CA-C-N 115.836 -0.62 . . . . 52.33 112.594 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.657 HG23 ' HG ' ' A' ' 25' ' ' LEU . 1.8 t -66.0 -42.5 89.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.474 0.137 . . . . 55.13 111.011 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -51.5 -53.14 40.64 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 111.633 0.235 . . . . 72.21 111.633 176.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.913 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 36.2 ptt180 -71.48 -20.57 62.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.45 0.167 . . . . 73.44 111.301 -175.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -66.68 -24.71 66.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.156 0.503 . . . . 55.33 110.345 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -132.36 39.52 3.38 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.994 -0.743 . . . . 65.21 108.994 176.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.913 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 78.1 tttt -72.42 -69.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.798 -1.092 . . . . 52.43 111.399 -175.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.9 p -93.28 -71.87 0.63 Allowed 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 120.929 -0.308 . . . . 70.41 111.04 -177.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 61.2 m 44.81 -86.78 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.868 0.867 . . . . 73.45 112.818 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 22.8 ptt? -70.96 -26.59 63.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 63.14 111.15 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -75.43 -29.66 59.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.934 0.873 . . . . 74.3 109.635 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -36.35 24.31 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.276 -1.329 . . . . 51.41 111.416 -179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.513 ' HZ ' ' HE1' ' A' ' 63' ' ' TYR . 14.7 t80 -73.18 -28.67 62.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.117 -0.492 . . . . 74.23 109.952 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.494 ' HD2' ' O ' ' A' ' 40' ' ' PHE . 5.2 mptp? -139.23 100.21 3.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.84 -0.618 . . . . 75.33 110.709 -178.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -64.88 -68.19 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.619 0.723 . . . . 73.05 109.328 175.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -123.6 126.08 45.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.0 -1.0 . . . . 70.51 108.937 176.112 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.9 p -146.35 -85.92 0.11 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.414 -0.357 . . . . 64.44 111.087 -172.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.462 ' HB2' ' H ' ' A' ' 46' ' ' GLY . 1.5 pm0 43.29 -153.94 0.02 OUTLIER 'General case' 0 C--N 1.346 0.44 0 C-N-CA 123.513 0.725 . . . . 72.23 112.559 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.462 ' H ' ' HB2' ' A' ' 45' ' ' GLU . . . 92.04 -13.44 66.96 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.465 -0.874 . . . . 52.14 111.603 -177.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.446 ' C ' HD22 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -87.29 156.22 19.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.909 0.385 . . . . 61.04 110.21 176.303 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -110.72 -178.97 3.62 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.728 -0.669 . . . . 74.11 111.641 -173.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.423 ' H ' ' HD1' ' A' ' 49' ' ' PHE . 11.0 p90 -67.55 -53.23 30.16 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.001 -1.0 . . . . 73.31 111.414 -175.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -85.99 3.06 43.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.414 0.625 . . . . 72.34 109.72 -176.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -81.34 -31.06 33.61 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.914 -0.772 . . . . 74.32 108.914 173.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.614 HD12 ' HG3' ' A' ' 99' ' ' PRO . 0.2 OUTLIER -74.15 85.48 1.86 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.442 -0.799 . . . . 71.44 109.077 177.282 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.438 ' O ' HD23 ' A' ' 57' ' ' LEU . 6.1 p -133.71 -177.46 4.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.757 -0.656 . . . . 53.22 111.354 -174.083 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -52.66 -43.74 65.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.021 -0.536 . . . . 75.41 110.637 177.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -56.96 -39.05 73.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.84 -0.618 . . . . 64.05 111.247 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -69.98 -51.83 29.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 74.42 110.681 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 53' ' ' THR . 4.3 mm? -59.49 -37.01 77.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.961 -0.563 . . . . 74.11 110.55 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.468 ' O ' HG12 ' A' ' 62' ' ' ILE . 24.6 ttt180 -58.82 -52.71 64.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.489 -0.778 . . . . 74.34 110.582 178.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -71.08 -42.3 69.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 74.14 111.489 -176.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.457 ' HD2' HD21 ' A' ' 79' ' ' LEU . 61.3 t80 -64.92 -37.7 88.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.357 -0.383 . . . . 75.12 110.167 -178.127 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.5 tp -59.5 -52.8 64.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.883 -0.599 . . . . 73.21 110.061 175.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 58' ' ' ARG . 46.4 mm -59.03 -44.32 91.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.702 -0.681 . . . . 62.43 111.464 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.513 ' HE1' ' HZ ' ' A' ' 40' ' ' PHE . 45.0 t80 -60.57 -43.49 97.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.31 0.576 . . . . 71.51 110.467 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.546 ' HG3' HD12 ' A' ' 68' ' ' LEU . 9.2 ttp -69.15 -42.21 76.25 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.464 -0.789 . . . . 72.44 111.331 -177.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.749 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -75.85 -15.79 60.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.459 -0.337 . . . . 71.44 111.876 -177.061 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -99.15 -63.41 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.071 0.463 . . . . 51.43 111.26 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.3 m -75.66 -43.4 47.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.839 -0.618 . . . . 75.14 112.082 -172.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.546 HD12 ' HG3' ' A' ' 64' ' ' MET . 66.1 mt -78.41 0.24 26.5 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.943 -0.303 . . . . 73.11 111.467 -175.281 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 58.2 m 62.18 28.3 16.99 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.956 -0.565 . . . . 61.01 112.221 171.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.749 ' O ' ' HA ' ' A' ' 65' ' ' LYS . 37.6 m-80 -121.43 151.36 40.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.834 -0.432 . . . . 53.43 109.834 175.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.26 166.67 21.15 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.744 0.307 . . . . 72.43 110.909 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -58.47 -35.07 71.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.073 -0.512 . . . . 64.13 111.184 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.8 m -56.49 -38.45 71.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.854 0.359 . . . . 44.22 110.822 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.7 m -80.42 -43.33 21.14 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.151 0.501 . . . . 61.44 110.198 177.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.78 -35.86 75.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.498 -0.774 . . . . 65.12 111.882 -177.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -60.97 -32.96 72.49 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.405 -0.361 . . . . 63.43 111.429 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -68.14 -38.7 82.45 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.237 -0.282 . . . . 74.02 110.237 176.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -70.43 -24.49 62.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.356 0.598 . . . . 72.52 109.891 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.457 HD21 ' HD2' ' A' ' 60' ' ' TYR . 87.5 mt -81.49 -33.27 32.03 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.168 0.509 . . . . 52.53 110.307 175.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.8 m -68.37 -23.35 64.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.811 -0.631 . . . . 52.34 111.907 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.8 p -73.46 -37.12 65.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.013 0.435 . . . . 65.14 110.277 175.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.36 -32.39 57.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.971 -0.558 . . . . 71.31 109.713 174.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 87' ' ' SER . 2.2 tmtp? -61.2 -30.78 70.63 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 115.885 -0.598 . . . . 74.44 110.348 177.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 51.4 mm -65.64 -38.38 82.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 120.863 0.363 . . . . 71.41 110.171 176.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.496 ' HD1' ' CD2' ' A' ' 13' ' ' PHE . 68.4 t80 -68.84 -49.78 55.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 74.11 110.185 177.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.622 ' O ' HG13 ' A' ' 90' ' ' ILE . 86.7 t -60.19 -46.1 95.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.578 -0.737 . . . . 73.03 110.923 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.622 ' HA ' HD12 ' A' ' 90' ' ' ILE . 0.4 OUTLIER -59.75 -39.27 84.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.088 -0.505 . . . . 75.02 111.743 -179.74 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.87 92.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.279 0.561 . . . . 74.34 110.144 176.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.583 ' HA ' ' HA3' ' A' ' 93' ' ' GLY . . . -71.08 -21.89 62.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.325 -0.852 . . . . 61.43 111.391 178.107 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 87' ' ' SER . 97.4 mt -73.51 -41.92 56.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.522 -0.308 . . . . 74.02 111.127 178.27 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -72.61 -47.58 46.63 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 120.729 -0.388 . . . . 74.53 110.774 -175.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -153.64 67.45 0.76 Allowed 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 123.527 0.517 . . . . 72.23 110.193 177.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.583 ' HA3' ' HA ' ' A' ' 89' ' ' ALA . . . -138.11 -83.98 0.12 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.52 -0.848 . . . . 73.22 112.538 177.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -169.28 -16.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.046 0.45 . . . . 75.11 110.715 -173.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 99.3 mmm -82.3 137.98 34.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.926 -0.579 . . . . 70.33 110.955 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -78.58 -48.94 14.17 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.799 -0.637 . . . . 73.22 109.344 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -148.56 178.15 8.87 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.622 -0.881 . . . . 63.41 108.622 175.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.438 ' HB3' HD11 ' A' ' 90' ' ' ILE . 6.3 p-10 -89.82 146.52 35.53 Favored Pre-proline 0 N--CA 1.441 -0.883 0 N-CA-C 110.003 -0.369 . . . . 75.14 110.003 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.614 ' HG3' HD12 ' A' ' 52' ' ' LEU . 35.8 Cg_endo -65.05 -18.25 61.4 Favored 'Trans proline' 0 N--CA 1.467 -0.085 0 C-N-CA 122.649 2.233 . . . . 74.11 111.874 177.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.453 ' HZ ' ' HB3' ' A' ' 79' ' ' LEU . 76.1 m-85 -76.4 -18.86 58.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.0 -0.545 . . . . 75.15 110.673 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.519 ' HD2' ' C ' ' A' ' 101' ' ' LYS . 0.6 OUTLIER -68.64 -36.98 79.31 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 121.739 0.781 . . . . 73.24 108.997 175.805 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -103.81 6.58 36.75 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.179 -0.919 . . . . 74.25 110.173 -175.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -81.07 79.69 7.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.431 -0.804 . . . . 73.41 109.862 -177.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 118.62 -85.23 0.39 Allowed Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.2 -0.909 . . . . 61.32 111.456 -179.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.7 tp 53.58 90.66 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.187 0.595 . . . . 71.04 111.87 177.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -73.27 170.22 15.46 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.867 -0.333 . . . . 61.34 110.181 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 57.0 t60 61.1 75.31 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.568 0.699 . . . . 62.1 109.97 -168.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.525 ' O ' ' HB2' ' A' ' 109' ' ' HIS . 6.2 p-80 -141.16 146.24 36.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.484 -0.78 . . . . 72.32 109.457 176.255 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' HIS . . . . . 0.525 ' HB2' ' O ' ' A' ' 108' ' ' HIS . 9.8 m80 72.95 -171.2 0.14 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.773 0.671 . . . . 72.23 109.767 -174.188 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 62.53 51.93 3.09 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.09 0.404 . . . . 73.22 112.09 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -77.06 -36.83 55.65 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.286 -1.005 . . . . 73.35 108.286 172.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 25.5 p-80 . . . . . 0 C--O 1.241 0.65 0 CA-C-N 114.547 -1.206 . . . . 73.02 108.524 171.509 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.889 0.376 . . . . 61.34 110.186 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 67.53 88.03 0.11 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.324 -0.853 . . . . 71.43 109.861 -172.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.405 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 90.1 m-20 -68.99 143.03 93.99 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.738 -0.664 . . . . 75.01 110.591 -176.542 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 3' ' ' ASN . 14.8 Cg_exo -69.09 102.38 0.91 Allowed 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.73 2.286 . . . . 73.12 110.937 174.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 m 66.76 78.44 0.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.586 -0.734 . . . . 61.23 110.914 -175.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -84.18 3.78 33.53 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 122.304 1.049 . . . . 73.21 108.899 174.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -126.45 153.47 45.01 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 113.882 -1.508 . . . . 64.22 107.865 172.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -22.86 66.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.938 0.399 . . . . 70.4 111.746 -176.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.7 t -140.3 152.39 45.82 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.19 -0.459 . . . . 50.51 110.357 175.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.613 ' O ' HG23 ' A' ' 14' ' ' VAL . 92.3 m-85 -65.84 -28.4 68.95 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 109.546 -0.538 . . . . 73.31 109.546 175.178 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -56.78 -39.64 74.46 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.917 -0.583 . . . . 72.21 110.277 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.92 -38.07 79.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.442 -0.799 . . . . 64.35 110.897 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -70.23 -45.44 66.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.947 -0.57 . . . . 62.14 110.215 177.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 10' ' ' PHE . 96.0 t -60.28 -46.96 94.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.023 -0.535 . . . . 71.43 110.778 178.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.535 ' HA ' ' HB3' ' A' ' 18' ' ' MET . . . -56.66 -33.31 66.24 Favored 'General case' 0 C--N 1.332 -0.169 0 O-C-N 123.416 0.448 . . . . 71.22 111.8 -177.029 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 t -61.23 -46.12 91.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.849 0.357 . . . . 74.43 110.556 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -77.94 -38.45 45.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.124 0.487 . . . . 52.14 110.271 176.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.592 ' SD ' ' HE1' ' A' ' 21' ' ' TYR . 52.4 tpp -57.33 -42.61 82.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.296 -0.865 . . . . 71.21 112.092 -175.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.583 ' HD2' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -62.11 -21.41 64.97 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 111.787 0.291 . . . . 71.54 111.787 -175.622 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.5 m -58.48 -60.24 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.61 -0.268 . . . . 71.33 111.171 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.592 ' HE1' ' SD ' ' A' ' 18' ' ' MET . 1.4 p90 -83.08 -26.23 31.27 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 120.771 -0.372 . . . . 75.14 110.464 -178.058 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.618 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 49.3 m -68.84 -18.05 64.1 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.01 0.433 . . . . 74.43 111.009 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 19' ' ' LYS . 2.5 tmt_? -64.42 -25.34 67.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.888 -0.597 . . . . 72.21 109.441 176.304 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -105.77 21.88 16.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.022 -0.535 . . . . 63.3 110.659 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.618 ' HG ' ' HA ' ' A' ' 22' ' ' SER . 66.5 mt -103.16 165.73 10.85 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 109.673 -0.492 . . . . 62.31 109.673 175.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -80.76 165.78 21.6 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.001 -0.545 . . . . 73.45 109.978 172.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.3 mm -59.18 -43.4 89.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.008 -0.542 . . . . 62.21 110.445 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.31 -35.03 91.01 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.9 -0.667 . . . . 51.24 112.415 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.55 HG22 HD13 ' A' ' 25' ' ' LEU . 33.9 m -76.02 -46.38 29.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.785 0.326 . . . . 61.43 110.874 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.454 ' CD1' ' HE2' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -57.85 -49.24 77.35 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.945 -0.391 . . . . 54.24 109.945 176.058 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.629 ' HA ' ' CG ' ' A' ' 34' ' ' LYS . 46.4 ttt180 -67.62 -21.37 65.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.129 -0.487 . . . . 72.33 111.472 -178.208 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -59.85 -23.07 63.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.034 -0.53 . . . . 75.15 111.077 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -132.16 39.84 3.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.202 0.525 . . . . 73.43 110.698 177.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.629 ' CG ' ' HA ' ' A' ' 31' ' ' ARG . 42.8 mmtt -93.02 -71.02 0.67 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.81 -0.632 . . . . 72.31 111.181 176.405 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.3 m -72.0 -20.75 61.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.735 -0.666 . . . . 75.42 112.129 -171.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.2 m -54.15 -58.45 7.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.799 0.333 . . . . 71.14 111.444 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 83.8 mtp -67.57 -25.45 65.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.973 0.416 . . . . 43.54 110.964 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.18 -43.86 73.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.904 -0.589 . . . . 74.21 111.423 -174.102 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -81.47 -13.25 58.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.451 -0.34 . . . . 74.12 111.725 -175.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -81.01 4.14 20.68 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.14 0.422 . . . . 72.14 112.14 -176.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.578 ' C ' ' HD3' ' A' ' 41' ' ' LYS . 10.6 tmtt? -88.66 93.64 9.63 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.566 0.698 . . . . 75.11 110.032 -178.486 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -97.72 -64.9 1.0 Allowed 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.895 -1.048 . . . . 75.25 108.641 164.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -138.19 112.3 8.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.544 -0.753 . . . . 74.11 110.977 178.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.6 p -91.62 79.5 5.45 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.21 -0.663 . . . . 73.31 109.21 172.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -70.43 178.83 2.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.901 -1.045 . . . . 71.45 111.073 -172.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -74.48 84.94 0.74 Allowed Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 116.142 -0.481 . . . . 74.22 112.146 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.577 HD21 ' HB2' ' A' ' 52' ' ' LEU . 9.8 tt -85.45 108.86 18.08 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.431 -0.385 . . . . 70.14 110.459 178.737 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.435 ' H ' ' HG3' ' A' ' 51' ' ' GLU . 2.5 mp0 -82.32 176.85 9.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 73.41 110.563 176.065 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -58.91 -40.5 84.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.932 -0.576 . . . . 63.44 111.835 -177.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -90.84 8.81 32.99 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.074 0.464 . . . . 72.24 110.808 -177.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.435 ' HG3' ' H ' ' A' ' 48' ' ' GLN . 7.8 mm-40 -89.98 -24.87 21.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.399 -0.593 . . . . 74.12 109.399 174.336 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.577 ' HB2' HD21 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -88.34 88.47 7.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.697 -0.853 . . . . 64.53 108.697 175.448 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.459 ' O ' HD23 ' A' ' 57' ' ' LEU . 72.7 p -124.07 177.25 5.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.328 -0.396 . . . . 63.13 111.239 -175.27 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.56 -37.14 82.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.976 -0.557 . . . . 73.45 109.658 173.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -60.89 -44.33 97.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.577 -0.738 . . . . 71.04 110.149 177.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -59.83 -51.54 69.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.885 -0.598 . . . . 73.43 110.561 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.547 HD13 HD22 ' A' ' 79' ' ' LEU . 4.2 mm? -58.23 -43.15 87.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.885 0.374 . . . . 72.34 110.875 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.451 ' O ' HG12 ' A' ' 62' ' ' ILE . 53.8 ttt180 -64.82 -49.86 68.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.723 -0.671 . . . . 73.22 111.28 -178.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -69.69 -38.69 77.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.305 -0.407 . . . . 72.33 111.037 -176.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -64.94 -37.2 86.86 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.615 -0.513 . . . . 74.11 109.615 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.2 tp -61.27 -52.44 64.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.466 -0.788 . . . . 73.34 110.504 175.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.451 HG12 ' O ' ' A' ' 58' ' ' ARG . 49.5 mm -60.09 -44.37 94.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.776 -0.647 . . . . 74.12 110.984 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -58.65 -45.13 89.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.041 0.448 . . . . 74.13 110.638 178.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.736 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 30.5 ttm -65.08 -49.72 68.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.423 0.63 . . . . 74.14 110.615 -179.407 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -58.22 -51.05 71.37 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.953 -1.021 . . . . 74.44 111.045 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -81.45 -64.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.809 0.67 . . . . 73.54 112.809 -173.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 62.3 m -73.37 -42.7 61.86 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.833 0.309 . . . . 73.31 111.833 -171.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 64' ' ' MET . 84.3 mt -84.52 -15.43 45.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.744 0.306 . . . . 70.13 110.558 -179.007 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 33.0 t 62.34 42.24 9.36 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.525 -0.761 . . . . 73.42 110.957 178.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.736 ' HB2' ' HG2' ' A' ' 64' ' ' MET . 4.1 m-20 -91.66 147.24 23.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.323 -0.399 . . . . 53.51 110.08 174.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.74 166.8 22.87 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.093 -0.503 . . . . 60.31 110.754 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -53.8 -52.98 58.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.079 -0.51 . . . . 63.22 111.555 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.1 m -65.69 -30.57 71.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.886 0.374 . . . . 74.15 111.029 -177.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.5 m -69.35 -40.63 77.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.217 0.532 . . . . 74.13 110.253 178.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.662 ' HA ' ' SD ' ' A' ' 64' ' ' MET . . . -71.01 -42.22 69.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.849 -0.614 . . . . 63.23 110.701 178.497 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -57.71 -47.3 82.77 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.723 -0.672 . . . . 52.22 111.375 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -67.63 -29.32 68.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.648 0.261 . . . . 73.41 110.961 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -70.71 -49.7 44.17 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 120.967 0.413 . . . . 70.52 110.161 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.547 HD22 HD13 ' A' ' 57' ' ' LEU . 90.3 mt -62.0 -29.99 70.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.833 -0.621 . . . . 74.21 110.68 178.403 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.542 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 75.7 m -55.1 -47.59 74.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.864 -0.607 . . . . 63.05 111.6 176.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.3 p -61.71 -36.39 80.8 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.144 0.497 . . . . 73.23 110.903 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.422 HG23 ' HE2' ' A' ' 85' ' ' TYR . 65.1 mt -67.76 -52.65 37.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.679 -0.691 . . . . 62.25 110.515 178.17 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.542 ' HG3' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -62.74 -29.27 70.56 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.525 -0.307 . . . . 64.31 111.218 -178.366 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 80' ' ' SER . 68.3 mt -61.68 -51.18 75.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 121.186 -0.205 . . . . 63.01 111.073 175.302 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.422 ' HE2' HG23 ' A' ' 82' ' ' ILE . 1.2 p90 -73.24 -34.83 66.09 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 120.4 -0.52 . . . . 71.21 110.557 -176.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.619 ' O ' HG13 ' A' ' 90' ' ' ILE . 77.5 t -63.93 -44.73 98.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.811 -0.44 . . . . 74.32 109.811 175.594 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.637 ' HA ' HD12 ' A' ' 90' ' ' ILE . 3.2 m -61.62 -37.8 85.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.537 -0.756 . . . . 61.32 111.334 178.154 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.05 -36.82 84.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.109 0.48 . . . . 43.11 110.188 175.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.2 -22.22 64.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.58 -0.736 . . . . 64.22 111.305 177.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.637 HD12 ' HA ' ' A' ' 87' ' ' SER . 69.1 mt -77.94 -30.6 16.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.004 0.43 . . . . 72.1 110.525 177.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -69.09 -44.51 72.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 64.3 111.152 -176.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -157.38 60.35 0.5 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.28 0.562 . . . . 61.42 110.06 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -138.13 -99.33 0.49 Allowed Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.396 -0.907 . . . . 74.53 112.516 178.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -149.69 -29.86 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.898 0.38 . . . . 73.21 110.9 -173.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 93.4 mmm -62.45 126.3 26.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.49 . . . . 72.32 110.709 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -59.06 -51.85 68.29 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.788 0.804 . . . . 72.44 111.18 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -167.06 158.93 12.69 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.026 -1.443 . . . . 73.14 108.505 -157.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -81.36 142.16 50.19 Favored Pre-proline 0 N--CA 1.444 -0.747 0 CA-C-O 121.445 0.64 . . . . 52.33 111.963 -173.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.564 ' HG3' HD12 ' A' ' 52' ' ' LEU . 94.9 Cg_endo -83.68 -2.48 10.4 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 123.42 2.746 . . . . 34.32 110.543 171.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.708 ' HA ' ' HD2' ' A' ' 103' ' ' PHE . 7.4 t80 -94.02 9.1 38.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.307 -1.315 . . . . 74.04 109.764 -178.489 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.51 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 17.3 mmtt -48.16 -51.68 23.98 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 114.779 -1.1 . . . . 71.22 112.254 -176.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.95 -18.26 37.85 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.283 -0.417 . . . . 74.2 111.508 -175.33 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.708 ' HD2' ' HA ' ' A' ' 100' ' ' PHE . 99.2 m-85 -73.43 -28.58 62.06 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.203 -0.665 . . . . 63.44 109.203 176.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -85.43 -67.19 1.4 Allowed Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 110.515 -1.034 . . . . 65.22 110.515 170.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.4 tt 55.2 95.47 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.872 0.869 . . . . 75.35 112.07 174.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -98.21 126.03 43.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.228 -0.442 . . . . 73.53 110.812 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -91.22 116.11 28.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.989 -0.55 . . . . 73.44 109.733 174.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -76.16 162.46 27.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.83 -0.623 . . . . 64.21 110.879 -175.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -110.27 121.75 46.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.018 -0.537 . . . . 74.13 109.592 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -68.36 133.19 48.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.02 0.438 . . . . 70.42 110.849 -176.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -78.17 -51.45 10.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.695 -0.684 . . . . 74.3 109.227 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 . . . . . 0 C--O 1.248 0.982 0 CA-C-N 115.505 -0.771 . . . . 75.24 108.935 175.761 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.628 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 121.454 0.645 . . . . 72.519999999999996 111.118 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -93.95 -18.65 21.69 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.202 -0.908 . . . . 74.5 110.95 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.814 ' HA ' ' HA2' ' A' ' 46' ' ' GLY . 23.2 t -111.75 152.31 27.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.145 -0.479 . . . . 75.510000000000005 111.273 -173.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.498 ' O ' HG23 ' A' ' 14' ' ' VAL . 31.0 p90 -54.78 -41.99 71.2 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.769 -0.651 . . . . 74.420000000000002 111.703 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.708 ' HB2' ' HB3' ' A' ' 37' ' ' MET . 3.1 p-80 -72.34 -25.23 61.46 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.01 0.433 . . . . 72.239999999999995 110.9 -176.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.628 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 3.9 m-20 -80.02 -37.01 34.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.301 -0.409 . . . . 72.329999999999998 110.395 174.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.557 ' CD1' ' HB2' ' A' ' 85' ' ' TYR . 19.5 t80 -62.01 -49.52 75.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.738 -0.664 . . . . 74.349999999999994 109.775 178.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.7 HG22 ' HB3' ' A' ' 85' ' ' TYR . 92.0 t -59.46 -46.9 92.4 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.303 0 CA-C-N 115.765 -0.652 . . . . 73.129999999999995 110.598 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.58 -33.2 67.93 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.933 0.345 . . . . 55.420000000000002 111.933 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.414 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 35.6 t -83.67 -51.12 7.54 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 121.066 -0.254 . . . . 74.140000000000001 111.222 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -65.74 -28.15 68.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.677 0.275 . . . . 70.349999999999994 110.691 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 50.1 tpp -52.14 -28.32 17.54 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 115.787 -0.642 . . . . 63.439999999999998 111.881 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.464 ' HA ' ' OG ' ' A' ' 22' ' ' SER . 22.2 ptmt -50.77 -30.39 13.96 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.821 0.343 . . . . 73.400000000000006 111.485 178.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 m -71.45 -24.34 62.0 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.279 0.561 . . . . 74.450000000000003 110.683 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -101.72 -33.52 9.82 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.873 -0.603 . . . . 74.420000000000002 111.361 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.464 ' OG ' ' HA ' ' A' ' 19' ' ' LYS . 38.1 p -66.79 -24.17 66.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.017 0.436 . . . . 73.140000000000001 111.026 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -17.81 64.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.429 0.633 . . . . 71.030000000000001 109.817 175.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 -127.31 23.27 6.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.538 -0.755 . . . . 73.129999999999995 110.463 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 25' ' ' LEU . 9.3 tp -124.18 172.62 8.9 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.179 -1.045 . . . . 71.530000000000001 108.179 177.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.448 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -93.16 167.67 11.62 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 109.549 -0.538 . . . . 74.310000000000002 109.549 169.746 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.658 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 50.0 mm -77.41 -27.43 15.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 116.3 -0.409 . . . . 73.439999999999998 110.764 -173.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.25 -59.22 7.86 Favored Glycine 0 C--N 1.331 0.285 0 CA-C-N 116.079 -0.509 . . . . 61.210000000000001 113.543 -175.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.438 HG22 ' OE2' ' A' ' 26' ' ' GLU . 10.3 t -72.65 -41.4 65.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.99 0.395 . . . . 61.530000000000001 111.051 -178.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -50.09 -53.67 25.65 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 111.974 0.361 . . . . 73.209999999999994 111.974 176.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.658 ' HG2' ' O ' ' A' ' 27' ' ' ILE . 2.1 ptm180 -67.84 -28.92 67.97 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.662 0.268 . . . . 72.120000000000005 111.504 -176.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -70.67 -42.59 70.56 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.912 -0.315 . . . . 75.019999999999996 111.192 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -77.51 -25.63 50.47 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.647 -0.421 . . . . 73.310000000000002 110.396 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -58.88 -49.38 78.0 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.677 -0.692 . . . . 72.239999999999995 111.334 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.5 m -67.85 -36.14 79.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.102 0.477 . . . . 62.340000000000003 110.936 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.6 m -64.16 -55.68 20.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.655 . . . . 73.510000000000005 111.7 -176.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.708 ' HB3' ' HB2' ' A' ' 11' ' ' HIS . 73.0 mtm -60.9 -26.4 67.42 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.733 0.642 . . . . 74.219999999999999 112.733 -174.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.418 ' HD3' ' HA ' ' A' ' 38' ' ' ARG . 13.6 tpp180 -71.27 -51.33 25.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.88 0.371 . . . . 53.130000000000003 111.216 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -79.89 -6.42 57.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.149 0.499 . . . . 61.310000000000002 111.08 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.28 4.32 2.32 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.673 -0.694 . . . . 74.120000000000005 111.94 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -77.76 17.96 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.228 0.455 . . . . 75.519999999999996 112.228 -176.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.406 ' HG3' ' CD1' ' A' ' 43' ' ' TYR . 9.3 pt-20 -70.35 -36.3 74.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.707 0.289 . . . . 72.430000000000007 110.791 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.406 ' CD1' ' HG3' ' A' ' 42' ' ' GLU . 46.4 m-85 -83.86 -19.22 35.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.453 -0.34 . . . . 74.420000000000002 110.847 178.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.6 m 61.52 -164.42 0.24 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.751 -0.658 . . . . 63.299999999999997 110.945 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 72.1 158.91 0.2 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.369 0.604 . . . . 73.400000000000006 111.638 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.814 ' HA2' ' HA ' ' A' ' 9' ' ' SER . . . -89.84 -46.54 4.2 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.792 -0.64 . . . . 74.040000000000006 112.803 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.0 tt 72.27 108.61 0.07 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.155 0.582 . . . . 65.230000000000004 110.405 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -97.47 -168.96 1.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.744 -0.662 . . . . 53.43 111.533 -176.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.698 ' HE1' ' HB1' ' A' ' 89' ' ' ALA . 56.1 m-85 -57.13 -38.73 73.89 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.456 -0.793 . . . . 51.140000000000001 111.546 -177.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -80.05 -20.76 44.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.323 -0.399 . . . . 63.130000000000003 111.922 -172.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -86.46 -16.34 37.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.111 0.482 . . . . 73.25 110.466 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.49 ' CD1' ' HG3' ' A' ' 99' ' ' PRO . 1.2 tm? -85.21 97.21 9.78 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.687 -0.688 . . . . 52.229999999999997 109.417 178.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.474 ' O ' HD23 ' A' ' 57' ' ' LEU . 40.2 p -120.06 166.78 12.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.349 -0.387 . . . . 71.400000000000006 111.38 -177.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.57 ' HB3' ' HB2' ' A' ' 103' ' ' PHE . 2.6 mp0 -62.79 -38.75 91.86 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.129 -0.487 . . . . 63.140000000000001 109.925 176.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -67.79 -33.13 74.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.947 -0.569 . . . . 75.25 110.409 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -62.37 -51.0 69.36 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.953 -0.388 . . . . 64.400000000000006 109.953 175.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 53' ' ' THR . 4.5 mm? -58.35 -39.26 79.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.976 -0.556 . . . . 72.109999999999999 110.569 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 58' ' ' ARG . 28.8 ttt-85 -62.19 -53.79 50.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.8 -0.636 . . . . 53.229999999999997 111.128 176.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -63.4 -43.15 98.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 42.520000000000003 111.211 -176.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.7 -28.95 62.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.305 -0.407 . . . . 74.230000000000004 110.818 -177.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 58.5 tp -58.56 -52.19 66.69 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.21 -0.663 . . . . 60.350000000000001 109.21 171.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.428 ' O ' ' HB3' ' A' ' 66' ' ' LYS . 70.8 mt -59.7 -48.99 85.44 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.383 0 CA-C-N 115.204 -0.907 . . . . 55.130000000000003 110.535 177.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -55.74 -45.37 78.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.04 0.448 . . . . 60.210000000000001 111.663 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.488 ' O ' ' HB2' ' A' ' 68' ' ' LEU . 16.2 ttp -69.81 -40.79 75.71 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.136 0.493 . . . . 73.439999999999998 111.474 -176.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.546 ' O ' ' HA ' ' A' ' 69' ' ' CYS . 86.1 tttt -73.91 -40.78 62.89 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.822 -0.626 . . . . 64.319999999999993 111.36 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 67.1 tttt -85.41 -64.65 1.12 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.957 -0.565 . . . . 63.399999999999999 112.181 -174.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.5 m -74.08 -48.54 29.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.348 -0.387 . . . . 73.120000000000005 111.449 -173.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 64' ' ' MET . 89.9 mt -75.56 -26.68 58.18 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.019 -0.363 . . . . 64.010000000000005 110.019 178.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 8.5 t 63.91 85.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.423 -0.808 . . . . 63.409999999999997 111.169 177.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -139.56 166.54 24.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.532 -0.758 . . . . 71.540000000000006 109.997 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.9 162.95 25.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.457 -0.338 . . . . 65.109999999999999 110.735 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -59.79 -40.38 88.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.367 -0.379 . . . . 74.109999999999999 110.827 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.7 m -62.48 -42.01 99.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.871 0.367 . . . . 72.099999999999994 110.581 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.7 m -65.09 -44.76 87.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.955 -0.566 . . . . 72.120000000000005 110.394 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.81 -49.36 70.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.641 -0.709 . . . . 74.120000000000005 111.577 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -61.83 -39.09 90.58 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.929 0.395 . . . . 70.519999999999996 110.557 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -65.08 -43.91 90.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 75.239999999999995 111.567 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -69.21 -37.03 77.88 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.038 0.447 . . . . 70.049999999999997 110.938 -178.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.425 HD22 HD13 ' A' ' 57' ' ' LEU . 50.5 mt -69.58 -37.67 77.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.319 -0.401 . . . . 64.120000000000005 111.017 177.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.546 ' O ' HG12 ' A' ' 84' ' ' ILE . 13.0 p -71.85 -14.24 61.9 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.965 -0.294 . . . . 70.209999999999994 110.602 177.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.597 HG22 HG11 ' A' ' 14' ' ' VAL . 42.3 m -71.64 -40.52 69.64 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.381 -0.6 . . . . 65.319999999999993 109.381 173.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.55 HG23 ' HE2' ' A' ' 85' ' ' TYR . 94.7 mt -67.32 -40.41 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.702 -0.681 . . . . 54.509999999999998 109.205 172.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 87' ' ' SER . 14.0 tmtt? -55.44 -29.84 59.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.361 -0.836 . . . . 73.430000000000007 110.545 177.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.546 HG12 ' O ' ' A' ' 80' ' ' SER . 34.0 mm -57.04 -55.49 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.66 -0.245 . . . . 62.109999999999999 111.555 177.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.7 ' HB3' HG22 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -71.77 -33.16 68.39 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 120.488 -0.485 . . . . 72.120000000000005 109.909 -176.559 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.524 ' O ' HG13 ' A' ' 90' ' ' ILE . 74.6 t -59.92 -51.01 77.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.927 -0.579 . . . . 75.109999999999999 109.858 175.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.469 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 0.5 OUTLIER -62.62 -36.59 83.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.399 -0.819 . . . . 71.239999999999995 111.649 179.629 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.74 -43.42 98.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.18 0.514 . . . . 74.329999999999998 110.129 174.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.698 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -67.59 -22.58 65.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.435 -0.802 . . . . 63.149999999999999 111.085 177.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 86' ' ' VAL . 91.9 mt -81.4 -43.28 20.16 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-O 121.079 0.466 . . . . 70.519999999999996 110.781 175.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -68.54 -44.4 74.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.847 -0.615 . . . . 72.239999999999995 112.029 -172.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -139.29 19.08 2.58 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.798 0.332 . . . . 72.019999999999996 111.165 -177.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -105.89 -111.62 3.61 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.314 -0.946 . . . . 54.25 112.63 -177.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.12 -3.34 0.76 Allowed 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 120.691 0.281 . . . . 74.129999999999995 111.614 -175.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.515 ' SD ' HG13 ' A' ' 86' ' ' VAL . 7.2 ttt -89.96 139.49 30.55 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.5 -0.555 . . . . 73.439999999999998 109.5 -178.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -91.13 -45.58 8.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.178 0.513 . . . . 74.209999999999994 110.988 -173.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -133.89 149.12 51.31 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.88 -0.6 . . . . 70.430000000000007 110.555 -175.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -86.6 151.36 52.86 Favored Pre-proline 0 N--CA 1.446 -0.662 0 CA-C-N 115.796 -0.638 . . . . 73.319999999999993 109.781 176.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.49 ' HG3' ' CD1' ' A' ' 52' ' ' LEU . 28.7 Cg_endo -61.8 -35.49 78.72 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.619 2.213 . . . . 74.129999999999995 112.162 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.423 ' HA ' ' HB3' ' A' ' 103' ' ' PHE . 68.8 m-85 -70.43 -12.58 61.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.219 -0.446 . . . . 53.009999999999998 111.989 -176.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -72.46 -39.83 67.45 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 110.015 -0.365 . . . . 71.030000000000001 110.015 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -93.52 -30.6 14.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.3 0.572 . . . . 74.030000000000001 110.783 176.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.57 ' HB2' ' HB3' ' A' ' 54' ' ' GLU . 65.5 t80 . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 115.491 -0.777 . . . . 60.399999999999999 111.224 -177.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 . . . . . 0 N--CA 1.444 -0.74 0 N-CA-C 109.589 -0.523 . . . . 71.400000000000006 109.589 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.703 ' HE3' ' HE1' ' A' ' 43' ' ' TYR . 49.3 mtmt -89.21 9.91 24.0 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.82 -0.627 . . . . 62.109999999999999 112.553 -171.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.2 p -147.84 151.01 35.23 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 116.026 -0.534 . . . . 73.319999999999993 110.049 171.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.609 ' O ' HG23 ' A' ' 14' ' ' VAL . 65.8 m-85 -63.42 -27.91 69.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.36 -0.382 . . . . 54.32 110.011 175.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -65.02 -41.22 95.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.943 -0.571 . . . . 75.209999999999994 110.062 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -78.39 -35.26 47.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.445 -0.798 . . . . 74.329999999999998 110.07 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -62.64 -38.92 92.17 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.304 -0.862 . . . . 55.420000000000002 110.851 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.67 HG11 ' HB ' ' A' ' 81' ' ' THR . 32.7 t -54.55 -40.34 49.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.19 -0.459 . . . . 73.140000000000001 111.527 178.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.28 -35.64 74.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.444 -0.344 . . . . 62.439999999999998 111.294 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.0 t -71.41 -40.65 70.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.391 -0.368 . . . . 72.340000000000003 110.483 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -72.86 -39.86 66.13 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.839 -0.43 . . . . 73.400000000000006 109.839 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.439 ' HA ' ' CZ ' ' A' ' 21' ' ' TYR . 44.8 tpp -53.29 -49.48 66.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.544 -0.753 . . . . 72.010000000000005 110.151 175.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.423 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 86.0 tttt -51.0 -36.01 36.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.127 -0.942 . . . . 74.209999999999994 111.75 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.7 m -54.06 -52.92 59.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.879 -0.601 . . . . 63.009999999999998 111.804 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.439 ' CZ ' ' HA ' ' A' ' 18' ' ' MET . 20.5 p90 -93.9 -8.79 39.23 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.891 -0.324 . . . . 75.430000000000007 111.6 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.423 ' HB2' ' HA ' ' A' ' 19' ' ' LYS . 71.0 m -70.67 -8.55 52.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.028 0.442 . . . . 65.340000000000003 110.594 173.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.476 ' HD3' ' O ' ' A' ' 23' ' ' ARG . 4.1 tmt_? -55.49 -28.65 55.84 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.776 -0.647 . . . . 73.109999999999999 110.555 176.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -81.22 -13.14 58.84 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.015 0.436 . . . . 71.299999999999997 110.933 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.0 mp -93.03 153.74 18.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.91 -0.586 . . . . 71.319999999999993 110.178 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.89 155.48 40.76 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 115.649 -0.705 . . . . 73.430000000000007 109.49 174.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.7 mt -59.44 -35.12 56.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.093 0.473 . . . . 74.349999999999994 109.858 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.29 -36.56 83.76 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.541 -0.754 . . . . 74.200000000000003 112.89 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.9 m -79.12 -46.15 18.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.075 0.438 . . . . 64.530000000000001 110.472 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -58.15 -43.85 87.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.665 -0.698 . . . . 75.319999999999993 112.432 -177.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -61.26 -20.28 62.67 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.338 0.495 . . . . 72.420000000000002 112.338 -176.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -54.69 -50.86 67.25 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 111.91 0.337 . . . . 74.299999999999997 111.91 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.608 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 76.9 t60 -110.31 -0.88 17.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.029 0.442 . . . . 75.049999999999997 110.721 -174.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -66.98 -51.88 49.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.197 0.522 . . . . 72.109999999999999 111.36 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.38 15.79 6.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.856 -0.611 . . . . 75.239999999999995 112.615 -172.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.608 ' SG ' ' HA ' ' A' ' 33' ' ' HIS . 68.7 m -77.98 -66.92 0.78 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.803 0.335 . . . . 75.019999999999996 111.257 -178.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.423 ' HG3' ' HG3' ' A' ' 42' ' ' GLU . 4.6 mpp? -65.63 -30.44 71.16 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.148 -0.478 . . . . 74.010000000000005 111.647 -174.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.08 -36.56 77.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.159 -0.473 . . . . 71.209999999999994 112.016 -178.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -75.13 -48.06 25.57 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 120.968 0.413 . . . . 74.540000000000006 110.783 -177.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -72.33 -21.06 61.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.822 -0.626 . . . . 74.439999999999998 111.027 -176.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 58.4 mttp 67.42 72.36 0.34 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.296 -0.866 . . . . 75.430000000000007 110.176 -174.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.423 ' HG3' ' HG3' ' A' ' 37' ' ' MET . 6.1 mm-40 -71.5 122.28 20.16 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.551 -0.75 . . . . 72.239999999999995 110.273 177.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.703 ' HE1' ' HE3' ' A' ' 8' ' ' LYS . 63.4 m-85 -125.36 135.98 52.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.069 0.462 . . . . 74.239999999999995 110.748 178.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.2 m -141.65 92.83 2.5 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.711 -0.677 . . . . 74.439999999999998 109.307 178.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.15 46.61 1.33 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.674 0.75 . . . . 71.340000000000003 109.596 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 176.66 -127.2 1.19 Allowed Glycine 0 N--CA 1.439 -1.164 0 CA-C-N 115.089 -0.959 . . . . 75.030000000000001 110.848 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.515 HD22 ' HB3' ' A' ' 51' ' ' GLU . 3.0 tm? 66.54 119.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.939 0.876 . . . . 73.420000000000002 110.078 -176.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.481 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 27.2 mm-40 -111.39 167.75 10.06 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.504 -0.771 . . . . 62.549999999999997 110.003 -174.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -62.94 -38.51 91.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.592 -0.276 . . . . 44.450000000000003 111.005 -177.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -92.42 6.81 45.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.064 0.459 . . . . 74.530000000000001 110.56 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.515 ' HB3' HD22 ' A' ' 47' ' ' LEU . 11.3 tt0 -94.16 -28.24 15.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.012 0.434 . . . . 75.209999999999994 110.359 178.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.665 ' HG ' HG21 ' A' ' 86' ' ' VAL . 1.0 OUTLIER -78.97 84.28 5.01 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.973 -0.751 . . . . 75.010000000000005 108.973 177.272 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.525 ' O ' HD23 ' A' ' 57' ' ' LEU . 25.6 p -128.93 -175.76 3.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.697 -0.683 . . . . 52.020000000000003 111.221 -175.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -57.64 -40.83 80.16 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.236 -0.438 . . . . 71.409999999999997 110.455 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.35 -44.77 95.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.794 -0.639 . . . . 72.129999999999995 111.084 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -64.16 -45.91 86.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 75.349999999999994 110.355 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 53' ' ' THR . 4.3 mm? -60.15 -45.86 91.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 71.120000000000005 110.828 178.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -60.9 -48.27 82.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 70.209999999999994 111.198 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -67.1 -43.72 81.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.238 -0.437 . . . . 65.310000000000002 111.222 -177.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -69.88 -33.54 72.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 75.219999999999999 110.506 -177.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.6 tp -59.24 -49.27 78.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.914 -0.584 . . . . 62.43 110.444 175.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.2 mt -59.83 -44.66 94.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.707 -0.679 . . . . 64.120000000000005 110.603 177.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -60.48 -37.14 80.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.229 0.537 . . . . 74.510000000000005 110.524 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.499 ' O ' ' HB2' ' A' ' 68' ' ' LEU . 6.8 tpp -65.69 -40.21 92.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.617 -0.72 . . . . 73.239999999999995 110.859 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 69' ' ' CYS . 8.6 tmtt? -82.13 -36.26 27.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.848 -0.615 . . . . 74.109999999999999 110.939 -176.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -81.79 -64.24 1.22 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.384 -0.371 . . . . 63.219999999999999 111.532 -177.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.5 m -77.63 -48.83 15.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.256 -0.429 . . . . 72.019999999999996 111.354 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.499 ' HB2' ' O ' ' A' ' 64' ' ' MET . 77.8 mt -78.1 -20.5 52.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.346 -0.388 . . . . 71.310000000000002 110.415 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 60.2 m 61.56 31.68 18.8 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.636 -0.711 . . . . 74.310000000000002 112.032 174.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.99 154.08 17.85 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.817 -0.438 . . . . 50.130000000000003 109.817 175.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.69 154.0 38.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.319 -0.401 . . . . 53.409999999999997 110.303 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.461 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 6.4 p-10 -59.85 -28.81 67.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.461 -0.336 . . . . 53.450000000000003 111.655 -177.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.0 m -61.11 -35.51 77.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.794 0.331 . . . . 61.25 110.797 176.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.2 m -85.04 -43.18 14.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 44.340000000000003 110.246 177.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.461 ' HB3' ' HA ' ' A' ' 72' ' ' ASP . . . -55.22 -45.04 75.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.654 -0.703 . . . . 43.299999999999997 111.606 -178.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.452 ' HA ' ' OE1' ' A' ' 76' ' ' GLN . 12.7 mm-40 -65.05 -33.16 75.37 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 116.224 -0.444 . . . . 73.310000000000002 111.472 -178.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -72.52 -38.56 68.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.605 0.24 . . . . 73.219999999999999 110.883 176.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -60.15 -40.06 88.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.35 0.595 . . . . 72.230000000000004 110.226 176.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 92.9 mt -75.07 -37.22 61.69 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.522 -0.763 . . . . 72.040000000000006 110.771 177.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.417 ' O ' HG13 ' A' ' 84' ' ' ILE . 33.4 t -63.14 -35.48 80.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.504 . . . . 40.549999999999997 111.492 -178.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.67 ' HB ' HG11 ' A' ' 14' ' ' VAL . 11.3 p -66.08 -32.34 73.75 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.474 -0.49 . . . . 73.209999999999994 110.766 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.8 mt -70.75 -40.09 76.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.032 -0.729 . . . . 75.209999999999994 109.032 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.485 ' HE2' ' OD2' ' A' ' 98' ' ' ASP . 11.9 tmtt? -56.4 -38.62 71.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.525 -1.216 . . . . 73.450000000000003 110.826 178.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 80' ' ' SER . 82.3 mt -59.72 -42.6 89.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.682 0.277 . . . . 65.239999999999995 110.971 178.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.431 ' HB2' HG22 ' A' ' 14' ' ' VAL . 91.1 t80 -68.81 -46.55 68.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.012 0.434 . . . . 72.140000000000001 110.526 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.665 HG21 ' HG ' ' A' ' 52' ' ' LEU . 84.0 t -61.91 -46.08 97.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.79 -0.641 . . . . 53.210000000000001 110.974 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 m -63.29 -37.02 85.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.793 -0.64 . . . . 70.329999999999998 111.485 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.89 -35.83 80.9 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.275 0.559 . . . . 63.240000000000002 110.144 175.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.01 -22.01 66.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.488 -0.778 . . . . 54.329999999999998 111.287 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.735 HG12 ' HB3' ' A' ' 95' ' ' MET . 62.0 mt -76.89 -32.82 20.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.903 0.382 . . . . 74.019999999999996 110.576 177.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -67.44 -44.05 79.66 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.156 -0.475 . . . . 54.140000000000001 111.473 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -160.97 57.43 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.085 -0.507 . . . . 71.230000000000004 110.04 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -142.68 -99.4 0.32 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 119.962 -1.113 . . . . 75.340000000000003 113.541 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.63 -26.06 0.69 Allowed 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 120.619 0.247 . . . . 61.130000000000003 111.594 -170.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.735 ' HB3' HG12 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -84.75 172.25 11.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.367 -0.378 . . . . 51.229999999999997 110.297 -176.433 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.499 ' HA ' HG23 ' A' ' 90' ' ' ILE . 30.4 tt0 -152.0 -43.11 0.11 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.023 0.439 . . . . 71.439999999999998 110.966 -175.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -108.37 115.04 29.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.893 -0.594 . . . . 61.43 110.793 -173.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.485 ' OD2' ' HE2' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -61.23 140.93 94.33 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 120.782 0.325 . . . . 64.329999999999998 111.13 177.614 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -75.14 -31.82 5.72 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.432 2.088 . . . . 54.130000000000003 112.108 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.803 ' HA ' ' HB3' ' A' ' 103' ' ' PHE . 21.1 m-85 -71.98 -10.84 60.34 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.237 -0.438 . . . . 64.549999999999997 111.504 -177.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.19 -35.75 76.59 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 109.497 -0.557 . . . . 71.5 109.497 176.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -96.75 -25.18 15.61 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.155 -0.475 . . . . 71.129999999999995 110.559 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.803 ' HB3' ' HA ' ' A' ' 100' ' ' PHE . 67.5 t80 . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 115.384 -0.825 . . . . 74.25 110.767 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.591 ' HB2' ' HB3' ' A' ' 12' ' ' ASP . 3.5 p90 . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 121.292 0.568 . . . . 74.420000000000002 110.943 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -102.03 -13.31 17.59 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.33 -0.85 . . . . 74.209999999999994 109.758 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.456 ' HB2' ' HB2' ' A' ' 12' ' ' ASP . 50.3 m -72.83 140.4 47.6 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.476 -1.238 . . . . 43.149999999999999 111.499 -174.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -52.91 -57.16 11.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.303 -0.862 . . . . 75.439999999999998 110.427 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.579 ' CE1' ' HB2' ' A' ' 42' ' ' GLU . 15.7 p-80 -59.9 -25.36 65.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.529 -0.76 . . . . 61.229999999999997 111.891 -178.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.591 ' HB3' ' HB2' ' A' ' 7' ' ' PHE . 4.0 m-20 -81.03 -50.21 9.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.385 -0.371 . . . . 71.409999999999997 111.144 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -62.46 -43.27 99.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 63.009999999999998 110.46 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.758 HG11 ' HB ' ' A' ' 81' ' ' THR . 88.9 t -65.74 -39.37 84.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 62.240000000000002 110.957 -178.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.63 84.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.36 . . . . 40.450000000000003 111.19 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.4 t -74.94 -43.21 55.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.048 -0.524 . . . . 60.439999999999998 110.511 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -69.04 -37.97 78.88 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.394 -0.366 . . . . 73.230000000000004 111.261 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 40.8 tpp -61.74 -30.19 70.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.431 . . . . 74.450000000000003 110.51 -178.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -57.24 -38.48 73.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.923 -0.58 . . . . 64.409999999999997 110.817 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.9 m -82.62 -30.82 29.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.967 -0.561 . . . . 62.0 110.468 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -65.48 -17.33 64.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.836 -0.62 . . . . 71.540000000000006 110.392 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.524 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 42.3 t -61.55 -12.4 15.25 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.938 -0.574 . . . . 73.099999999999994 111.856 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -64.63 -17.3 63.9 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.851 0.358 . . . . 64.439999999999998 110.924 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 24' ' ' ARG . 9.3 ptm180 -131.46 19.49 4.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.247 -0.433 . . . . 74.450000000000003 110.416 175.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.62 ' HG ' HG23 ' A' ' 29' ' ' THR . 15.2 tp -137.24 121.7 18.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.088 -0.506 . . . . 72.430000000000007 110.159 -177.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -63.76 156.99 25.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.929 0.395 . . . . 71.349999999999994 111.053 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.5 mm -62.86 -37.73 79.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.702 -0.681 . . . . 73.299999999999997 110.908 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -55.52 -50.2 61.34 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 121.013 -0.613 . . . . 72.450000000000003 112.596 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.62 HG23 ' HG ' ' A' ' 25' ' ' LEU . 1.8 t -77.71 -41.49 37.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.819 -0.224 . . . . 74.209999999999994 110.872 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -49.98 -52.72 31.55 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 122.479 0.312 . . . . 71.319999999999993 111.054 176.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -69.78 -32.51 71.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.926 -0.579 . . . . 64.310000000000002 111.605 -177.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 16.1 t-80 -71.43 -4.88 28.89 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 120.918 0.389 . . . . 70.519999999999996 111.416 -174.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -143.77 30.88 1.31 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.317 0.58 . . . . 72.209999999999994 109.719 171.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -95.71 -73.09 0.6 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.395 -0.821 . . . . 45.539999999999999 110.543 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.484 ' O ' ' HB2' ' A' ' 39' ' ' LYS . 17.3 m -74.66 -15.99 60.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.396 -0.82 . . . . 65.340000000000003 111.605 -174.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 69.0 m -45.87 -56.16 5.76 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.337 0.398 . . . . 54.210000000000001 112.007 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.475 ' HB3' ' HB2' ' A' ' 11' ' ' HIS . 66.9 mtm -55.18 -52.88 61.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.327 -0.851 . . . . 73.129999999999995 111.982 -176.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -77.65 -40.54 41.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.597 0.592 . . . . 72.319999999999993 112.597 -174.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -65.42 -59.26 4.2 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 112.161 0.43 . . . . 73.140000000000001 112.161 -171.322 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -65.14 -48.89 71.97 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.886 -0.326 . . . . 65.140000000000001 110.93 -175.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.568 ' HG2' ' HB2' ' A' ' 43' ' ' TYR . 41.1 ttmt 179.58 102.45 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.747 -0.661 . . . . 70.540000000000006 109.604 -175.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.579 ' HB2' ' CE1' ' A' ' 11' ' ' HIS . 4.2 pt-20 -59.94 -53.96 51.68 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.826 -0.624 . . . . 74.319999999999993 111.443 -179.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.568 ' HB2' ' HG2' ' A' ' 41' ' ' LYS . 10.1 t80 59.58 -161.83 0.26 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.83 0.347 . . . . 60.420000000000002 111.429 168.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 55.9 m 77.17 -73.98 0.08 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.029 0.931 . . . . 61.409999999999997 112.046 177.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 64.55 -75.32 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.55 0.531 . . . . 74.450000000000003 111.258 -175.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -142.61 49.22 0.74 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.988 -0.625 . . . . 53.420000000000002 112.4 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.64 129.33 39.37 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.443 -0.577 . . . . 72.099999999999994 109.443 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -95.95 173.47 7.42 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.3 0.571 . . . . 75.439999999999998 111.795 -173.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -58.97 -30.26 67.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.249 -0.887 . . . . 74.310000000000002 111.427 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -64.78 -29.29 70.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.38 -0.827 . . . . 70.299999999999997 111.05 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -87.08 -22.66 25.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.961 0.41 . . . . 73.019999999999996 110.83 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -83.81 90.56 7.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.1 -0.5 . . . . 71.219999999999999 110.212 -177.134 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.7 p -129.13 -179.88 5.38 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.067 -0.515 . . . . 72.129999999999995 111.225 -177.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -61.22 -42.05 97.92 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.978 -0.749 . . . . 73.420000000000002 108.978 171.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.99 -41.9 93.04 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.149 -0.932 . . . . 73.299999999999997 111.054 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.486 ' HD2' HD22 ' A' ' 57' ' ' LEU . 70.9 t80 -57.92 -51.62 68.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.97 0.414 . . . . 74.209999999999994 110.375 178.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.486 HD22 ' HD2' ' A' ' 56' ' ' PHE . 4.5 mm? -62.45 -40.59 97.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.654 -0.703 . . . . 73.230000000000004 111.142 179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -43.97 81.48 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.636 -0.711 . . . . 74.150000000000006 111.318 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -71.9 -36.71 70.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.231 -0.44 . . . . 75.530000000000001 110.971 -177.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -61.64 -38.62 88.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.045 0.45 . . . . 70.25 110.04 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.714 HD11 ' HA ' ' A' ' 72' ' ' ASP . 30.6 tp -65.59 -47.24 76.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.785 -0.643 . . . . 63.340000000000003 110.763 176.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 78.0 mt -57.23 -45.76 84.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.88 -0.6 . . . . 74.109999999999999 110.6 176.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -61.88 -39.21 91.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.281 0.562 . . . . 73.439999999999998 110.139 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.623 ' HG2' ' HB2' ' A' ' 75' ' ' ALA . 24.8 tpp -58.99 -43.83 91.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.37 -0.832 . . . . 71.209999999999994 110.728 176.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -75.87 -40.86 53.78 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.955 -1.021 . . . . 64.200000000000003 111.363 -175.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -81.11 -63.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.147 0.498 . . . . 75.030000000000001 111.859 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.5 m -78.98 -33.66 44.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.885 -0.598 . . . . 71.030000000000001 112.173 -170.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 64' ' ' MET . 88.5 mt -93.38 -89.08 0.21 Allowed 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.212 -0.595 . . . . 65.209999999999994 111.934 -175.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 68' ' ' LEU . 14.9 m 179.07 -42.21 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.768 0.318 . . . . 73.129999999999995 111.292 -170.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.544 ' HB3' ' HB ' ' A' ' 74' ' ' THR . 38.0 m-80 -69.85 152.43 44.55 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.002 -0.544 . . . . 72.129999999999995 112.092 -168.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -98.06 -170.69 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.511 -0.768 . . . . 53.340000000000003 111.302 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.714 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -52.49 -67.55 0.24 Allowed 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.06 0.763 . . . . 43.439999999999998 113.06 -176.078 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.543 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 24.2 t -57.71 -40.45 79.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.634 0.254 . . . . 75.409999999999997 111.14 -177.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.544 ' HB ' ' HB3' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -58.91 -42.96 90.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.147 0.499 . . . . 62.450000000000003 110.768 179.62 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.623 ' HB2' ' HG2' ' A' ' 64' ' ' MET . . . -71.29 -36.96 71.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.026 -0.534 . . . . 74.129999999999995 111.026 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.447 HE21 HD12 ' A' ' 79' ' ' LEU . 20.7 mm-40 -60.04 -38.01 81.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.634 -0.257 . . . . 72.340000000000003 110.937 177.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 73' ' ' SER . 33.0 mmt180 -59.55 -39.86 85.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.32 0.581 . . . . 71.099999999999994 110.509 175.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -78.17 -39.07 41.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.499 -0.773 . . . . 74.200000000000003 111.618 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.447 HD12 HE21 ' A' ' 76' ' ' GLN . 36.2 mt -63.55 -22.85 67.12 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 111.845 0.313 . . . . 72.319999999999993 111.845 -177.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.478 ' O ' HG12 ' A' ' 84' ' ' ILE . 49.7 m -52.67 -28.17 20.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.299 -0.41 . . . . 65.219999999999999 111.774 174.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.758 ' HB ' HG11 ' A' ' 14' ' ' VAL . 51.9 p -63.44 -54.74 31.83 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.988 0.423 . . . . 61.049999999999997 111.038 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 55.0 mt -59.92 -38.65 77.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.791 -0.64 . . . . 73.510000000000005 110.555 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -55.29 -41.28 72.08 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 115.671 -0.695 . . . . 74.0 111.177 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 80' ' ' SER . 47.0 mm -59.87 -47.11 92.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.594 0.235 . . . . 73.349999999999994 111.215 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -70.13 -48.53 57.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.971 0.415 . . . . 75.0 110.692 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 90' ' ' ILE . 71.7 t -61.0 -41.67 90.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.85 -0.614 . . . . 61.210000000000001 110.306 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.3 m -57.08 -42.22 80.29 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.913 -0.585 . . . . 43.439999999999998 111.695 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.94 93.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.208 0.528 . . . . 62.140000000000001 110.7 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.416 ' HB1' ' HB3' ' A' ' 94' ' ' TYR . . . -70.84 -35.32 72.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.61 -0.723 . . . . 72.519999999999996 111.134 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 86' ' ' VAL . 78.0 mt -68.52 -40.01 81.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.863 0.363 . . . . 63.140000000000001 110.397 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -61.53 -38.29 86.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.95 -0.568 . . . . 71.219999999999999 110.885 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -77.99 -41.35 36.25 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.808 -0.357 . . . . 74.310000000000002 110.447 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 121.16 17.12 4.14 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.357 -0.925 . . . . 32.399999999999999 113.175 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.416 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 40.6 t80 -79.07 -39.82 32.85 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.959 -0.756 . . . . 72.409999999999997 108.959 175.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 75.5 mmm -98.82 116.5 31.2 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.382 -0.826 . . . . 64.340000000000003 108.802 171.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -82.58 -31.17 29.13 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.11 0.481 . . . . 72.329999999999998 111.524 -171.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -127.55 135.53 50.46 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.959 -0.564 . . . . 73.239999999999995 111.073 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.411 ' OD1' ' HD2' ' A' ' 99' ' ' PRO . 0.4 OUTLIER -67.07 141.47 96.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 61.310000000000002 110.28 172.277 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.411 ' HD2' ' OD1' ' A' ' 98' ' ' ASP . 58.4 Cg_endo -74.29 -29.04 9.97 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.209 1.94 . . . . 74.540000000000006 111.518 175.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.776 ' HA ' ' HD1' ' A' ' 103' ' ' PHE . 93.4 m-85 -86.1 -8.79 57.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.699 -0.682 . . . . 71.040000000000006 111.104 -178.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.458 ' HE3' ' HB3' ' A' ' 101' ' ' LYS . 0.9 OUTLIER -65.58 -30.12 70.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.899 -0.592 . . . . 63.340000000000003 110.974 -177.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -99.46 10.11 41.99 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.113 0.412 . . . . 74.540000000000006 112.113 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.776 ' HD1' ' HA ' ' A' ' 100' ' ' PHE . 30.8 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.373 0.606 . . . . 63.009999999999998 109.774 172.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.492 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . 72.2 m-85 . . . . . 0 N--CA 1.447 -0.608 0 CA-C-O 121.734 0.778 . . . . 70.400000000000006 111.622 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.792 ' HD3' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -91.06 -22.26 20.83 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.649 -1.16 . . . . 64.439999999999998 112.2 -170.619 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.733 ' HB2' ' HB2' ' A' ' 12' ' ' ASP . 20.1 m -123.86 163.52 21.08 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.268 -0.424 . . . . 54.039999999999999 111.751 -174.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.496 ' O ' HG23 ' A' ' 14' ' ' VAL . 18.0 m-85 -68.37 -54.85 14.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.677 -0.692 . . . . 72.510000000000005 109.84 -176.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.506 ' HB3' ' CD ' ' A' ' 42' ' ' GLU . 68.3 t60 -71.8 -22.22 61.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.399 -0.818 . . . . 75.409999999999997 109.834 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.733 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 38.8 t70 -65.18 -46.59 80.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.574 -0.739 . . . . 71.310000000000002 109.583 176.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.549 ' HD1' ' HB2' ' A' ' 85' ' ' TYR . 25.8 t80 -66.01 -44.35 85.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.599 -0.728 . . . . 73.420000000000002 109.697 175.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.602 HG22 ' HB3' ' A' ' 85' ' ' TYR . 58.0 t -56.39 -48.78 79.39 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-N 115.57 -0.741 . . . . 62.530000000000001 111.561 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.84 -47.41 84.95 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.736 0.273 . . . . 54.210000000000001 111.736 -174.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.8 t -64.27 -41.88 96.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.432 -0.349 . . . . 55.219999999999999 110.995 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -71.76 -44.29 64.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.22 -0.445 . . . . 63.009999999999998 110.398 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.843 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 31.9 ttm -68.06 -28.29 67.25 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.855 -0.611 . . . . 73.519999999999996 110.952 -177.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -52.3 -42.66 63.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 64.420000000000002 110.211 175.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.7 m -85.81 -40.56 15.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.387 0.613 . . . . 75.319999999999993 110.459 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.843 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 73.5 t80 -63.42 -16.53 60.82 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.227 -0.897 . . . . 65.219999999999999 111.912 -177.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.2 p -62.75 -18.38 62.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.525 -0.307 . . . . 62.020000000000003 111.394 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -69.61 -10.84 59.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.099 0.476 . . . . 74.310000000000002 111.319 177.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -109.52 2.61 20.55 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.153 -0.476 . . . . 75.510000000000005 110.02 176.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.46 ' HG ' HG23 ' A' ' 29' ' ' THR . 1.8 mp -120.27 132.82 55.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.719 -0.673 . . . . 74.530000000000001 111.701 -175.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -76.83 160.8 28.96 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.13 -0.693 . . . . 73.549999999999997 109.13 169.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.9 mm -64.71 -35.89 76.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.729 -0.214 . . . . 74.010000000000005 110.596 -177.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.512 ' HA2' ' NE ' ' A' ' 31' ' ' ARG . . . -55.91 -46.62 83.38 Favored Glycine 0 C--N 1.333 0.403 0 CA-C-N 116.125 -0.489 . . . . 74.439999999999998 113.042 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.46 HG23 ' HG ' ' A' ' 25' ' ' LEU . 8.9 t -79.5 -33.65 41.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.672 0.273 . . . . 73.140000000000001 111.062 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -59.68 -52.42 65.57 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.425 -0.352 . . . . 62.219999999999999 111.151 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.512 ' NE ' ' HA2' ' A' ' 28' ' ' GLY . 37.8 ptt180 -65.1 -24.45 67.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.002 -0.545 . . . . 75.329999999999998 111.22 -177.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -64.57 -15.99 61.92 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.995 -0.548 . . . . 73.150000000000006 111.498 -173.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -142.0 34.14 1.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.156 0.503 . . . . 73.540000000000006 110.732 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -95.62 -53.37 3.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.735 -0.666 . . . . 75.109999999999999 111.713 -177.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.1 m -70.3 -33.84 72.03 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.865 0.691 . . . . 71.349999999999994 112.865 -171.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 35.3 m -51.43 -69.68 0.11 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.406 0.891 . . . . 51.119999999999997 113.406 -169.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 65.7 mtm -67.11 -25.77 66.37 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.741 0.305 . . . . 65.329999999999998 111.468 -175.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -61.11 -52.0 66.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.278 0.561 . . . . 75.439999999999998 110.491 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.495 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -66.42 -38.26 87.06 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 114.998 -1.001 . . . . 74.329999999999998 110.579 -177.348 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.43 ' O ' ' HB3' ' A' ' 41' ' ' LYS . 87.8 t80 -55.21 -32.38 62.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.349 -0.842 . . . . 75.040000000000006 112.255 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 40' ' ' PHE . 56.6 tptt 69.52 103.71 0.06 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.352 0.596 . . . . 73.540000000000006 110.674 -176.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.548 ' HB3' ' HB3' ' A' ' 9' ' ' SER . 32.2 mm-40 -60.44 -80.25 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.045 -0.98 . . . . 70.019999999999996 112.327 -177.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.1 t80 53.31 40.33 31.15 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.266 -0.879 . . . . 71.019999999999996 111.012 -174.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.627 ' HB2' ' HA ' ' A' ' 9' ' ' SER . 58.2 m -89.09 148.05 23.91 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.034 -0.728 . . . . 64.239999999999995 109.034 174.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -110.56 30.55 6.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.059 0.457 . . . . 70.540000000000006 111.389 -170.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 129.57 136.29 4.05 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.512 -0.851 . . . . 64.129999999999995 112.471 177.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.613 HD21 ' HB2' ' A' ' 52' ' ' LEU . 3.0 tm? -121.33 126.35 49.25 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.167 0.508 . . . . 73.120000000000005 110.006 178.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -114.35 -177.83 3.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.659 -0.7 . . . . 70.420000000000002 110.319 -178.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.509 ' HE1' ' H ' ' A' ' 97' ' ' ASN . 44.8 t80 -67.56 -57.37 6.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.21 -0.45 . . . . 63.119999999999997 110.229 178.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -87.71 68.18 9.39 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.694 0.759 . . . . 63.310000000000002 109.856 178.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -152.01 -49.3 0.11 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.54 -1.209 . . . . 74.340000000000003 108.209 174.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.613 ' HB2' HD21 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -85.69 82.29 8.28 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 107.902 -1.147 . . . . 52.310000000000002 107.902 170.366 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.488 ' O ' HD23 ' A' ' 57' ' ' LEU . 41.2 p -122.58 -176.82 3.47 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.808 -0.633 . . . . 74.219999999999999 111.365 -173.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.559 ' H ' ' CD ' ' A' ' 54' ' ' GLU . 1.4 mp0 -53.13 -39.09 63.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.718 -0.674 . . . . 73.219999999999999 110.188 177.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -67.37 -38.52 84.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.125 -0.943 . . . . 74.129999999999995 110.741 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -69.32 -40.07 77.85 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.905 -0.405 . . . . 73.230000000000004 109.905 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.541 HD13 HD22 ' A' ' 79' ' ' LEU . 3.8 mm? -57.48 -50.81 71.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.007 -0.542 . . . . 74.120000000000005 110.975 177.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.511 ' O ' HG12 ' A' ' 62' ' ' ILE . 28.8 ptt180 -68.93 -37.11 78.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.451 -0.34 . . . . 63.399999999999999 110.802 -178.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -65.4 -44.25 88.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.842 0.353 . . . . 72.340000000000003 110.708 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -66.58 -37.82 85.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 71.030000000000001 109.772 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.3 tp -59.54 -53.92 52.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.626 -0.715 . . . . 61.439999999999998 110.149 174.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.511 HG12 ' O ' ' A' ' 58' ' ' ARG . 40.3 mm -56.7 -48.37 80.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.009 -0.542 . . . . 73.329999999999998 111.14 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.411 ' O ' ' HB ' ' A' ' 67' ' ' THR . 70.8 t80 -60.33 -45.55 93.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.134 0.492 . . . . 72.109999999999999 110.973 -178.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.481 ' CE ' ' HA ' ' A' ' 75' ' ' ALA . 12.5 ttp -71.47 -42.97 67.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.881 -0.599 . . . . 74.230000000000004 111.69 -177.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -72.26 -49.0 38.31 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.082 -0.508 . . . . 52.43 110.866 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -84.57 -62.96 1.42 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.783 -0.189 . . . . 73.340000000000003 110.971 -174.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 63' ' ' TYR . 78.4 m -68.23 -49.82 58.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.751 0.31 . . . . 75.340000000000003 111.631 -174.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 64' ' ' MET . 93.6 mt -78.68 -8.02 58.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.707 0.289 . . . . 72.439999999999998 110.484 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 60.2 m 63.2 27.78 15.68 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.611 -0.722 . . . . 73.040000000000006 112.392 173.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -88.74 169.91 11.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.822 0.344 . . . . 75.299999999999997 110.942 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.32 168.34 11.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.933 -0.576 . . . . 75.120000000000005 110.121 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -69.62 -28.46 65.94 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.194 -0.202 . . . . 72.430000000000007 111.359 -177.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.4 m -57.04 -44.26 82.78 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.942 0.401 . . . . 71.129999999999995 110.532 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.0 m -69.46 -44.0 72.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.0 -0.545 . . . . 72.019999999999996 110.043 178.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.481 ' HA ' ' CE ' ' A' ' 64' ' ' MET . . . -60.71 -45.81 92.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.541 -0.754 . . . . 61.100000000000001 111.382 -179.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -62.88 -36.21 82.56 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.32 -0.4 . . . . 74.510000000000005 111.241 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.14 -46.03 75.32 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.032 0.444 . . . . 65.120000000000005 110.452 178.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.404 ' HB2' ' HE1' ' A' ' 64' ' ' MET . 6.9 m-20 -63.5 -44.03 95.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.881 -0.6 . . . . 71.430000000000007 110.826 178.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.541 HD22 HD13 ' A' ' 57' ' ' LEU . 72.7 mt -64.2 -33.91 76.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.227 -0.442 . . . . 61.229999999999997 110.696 178.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.459 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 23.0 t -70.82 -24.47 62.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.666 0.269 . . . . 73.439999999999998 110.587 178.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.4 m -74.56 -41.58 60.28 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.466 -0.568 . . . . 63.43 109.466 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.702 HG23 ' HE2' ' A' ' 85' ' ' TYR . 85.9 mt -62.6 -39.39 84.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.39 -0.823 . . . . 74.310000000000002 109.524 172.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.484 ' O ' ' HB2' ' A' ' 87' ' ' SER . 2.3 tmtt? -54.39 -32.23 56.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.374 -0.83 . . . . 75.340000000000003 111.061 178.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 80' ' ' SER . 76.7 mt -62.25 -52.44 60.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 111.384 0.142 . . . . 54.539999999999999 111.384 -178.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.702 ' HE2' HG23 ' A' ' 82' ' ' ILE . 1.1 p90 -72.97 -31.91 64.86 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.45 -0.5 . . . . 74.209999999999994 110.167 -177.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 90' ' ' ILE . 76.1 t -65.02 -50.76 73.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 62.450000000000003 110.096 176.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.484 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 0.5 OUTLIER -58.54 -37.78 76.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.992 -0.549 . . . . 74.519999999999996 111.239 178.818 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.91 -42.74 80.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.033 0.444 . . . . 55.43 110.496 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.651 ' HA ' ' HA3' ' A' ' 93' ' ' GLY . . . -68.46 -27.17 65.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.785 -0.643 . . . . 71.540000000000006 111.53 -179.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 86' ' ' VAL . 93.4 mt -79.01 -31.74 14.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.096 0.474 . . . . 64.140000000000001 110.308 177.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.3 tttt -76.4 -43.27 41.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.836 -0.62 . . . . 74.510000000000005 109.628 -176.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 92' ' ' LYS . 38.1 tptt -170.19 75.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.8 -0.636 . . . . 75.140000000000001 110.388 170.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.651 ' HA3' ' HA ' ' A' ' 89' ' ' ALA . . . -146.51 -63.88 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.284 -0.96 . . . . 74.519999999999996 113.324 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -161.49 -51.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 71.349999999999994 110.736 -173.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.486 ' HG2' ' HA ' ' A' ' 49' ' ' PHE . 90.1 mtp -76.0 163.97 26.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.975 -0.557 . . . . 74.129999999999995 110.967 -177.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -128.09 -36.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.104 -0.498 . . . . 63.039999999999999 111.471 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.509 ' H ' ' HE1' ' A' ' 49' ' ' PHE . 16.0 m120 -114.68 141.39 47.87 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.175 -0.466 . . . . 73.209999999999994 110.04 -177.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.57 ' OD1' ' HD2' ' A' ' 99' ' ' PRO . 0.4 OUTLIER -77.99 141.38 63.17 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.883 -0.599 . . . . 75.239999999999995 110.422 179.297 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.57 ' HD2' ' OD1' ' A' ' 98' ' ' ASP . 29.9 Cg_endo -65.28 -53.66 0.78 Allowed 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.622 2.215 . . . . 64.209999999999994 112.866 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.601 ' HA ' ' HB3' ' A' ' 103' ' ' PHE . 13.4 p90 -66.53 -25.0 66.46 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.969 0.414 . . . . 65.439999999999998 111.26 -172.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.546 ' HD2' ' O ' ' A' ' 101' ' ' LYS . 0.4 OUTLIER -63.91 -39.93 95.32 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.856 -0.611 . . . . 62.020000000000003 109.558 178.624 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.83 15.16 29.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.542 0.687 . . . . 64.120000000000005 109.764 -177.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.601 ' HB3' ' HA ' ' A' ' 100' ' ' PHE . 6.5 t80 . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 115.175 -0.92 . . . . 75.239999999999995 110.364 -175.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.699 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 5.0 m-85 . . . . . 0 N--CA 1.441 -0.91 0 N-CA-C 109.765 -0.457 . . . . 65.510000000000005 109.765 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 8' ' ' LYS . 35.7 mtpt -96.48 -17.63 20.41 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.212 -0.449 . . . . 53.210000000000001 111.738 -177.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 t -146.77 170.78 16.28 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.751 -0.379 . . . . 65.219999999999999 111.378 -172.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.467 ' O ' HG23 ' A' ' 14' ' ' VAL . 43.4 p90 -61.35 -37.77 84.54 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.893 -0.594 . . . . 75.430000000000007 111.101 -176.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -63.27 -25.27 68.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.847 0.356 . . . . 75.140000000000001 110.906 -177.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.699 ' HB2' ' HB3' ' A' ' 7' ' ' PHE . 42.2 m-20 -80.53 -45.67 17.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.166 -0.47 . . . . 74.409999999999997 110.617 177.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -63.64 -48.37 77.52 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.665 -0.698 . . . . 72.540000000000006 110.93 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 10' ' ' PHE . 90.8 t -58.74 -41.28 82.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.972 -0.558 . . . . 72.409999999999997 110.665 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.05 -29.3 70.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.415 -0.357 . . . . 62.5 111.751 -176.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.2 t -82.66 -38.96 22.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.964 0.411 . . . . 52.030000000000001 110.746 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -76.72 -37.62 55.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.987 0.422 . . . . 70.319999999999993 110.811 -177.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 49.8 ttm -61.01 -28.97 69.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.736 -0.665 . . . . 72.230000000000004 111.486 -176.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -49.63 -35.98 22.95 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.061 0.458 . . . . 74.340000000000003 111.865 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.3 m -79.79 -39.57 30.58 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.179 -0.464 . . . . 73.219999999999999 110.966 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -69.3 -33.08 72.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 62.340000000000003 111.024 -177.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.6 p -66.85 -12.62 59.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.927 0.394 . . . . 62.340000000000003 111.323 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -76.78 -28.83 55.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.847 0.356 . . . . 71.329999999999998 110.471 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -107.88 13.04 26.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.461 0.648 . . . . 64.340000000000003 110.491 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.8 tp -115.31 135.73 53.84 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.99 -1.115 . . . . 52.399999999999999 107.99 173.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.429 ' CG ' HG22 ' A' ' 29' ' ' THR . 10.7 pt-20 -60.24 146.29 44.27 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 109.715 -0.476 . . . . 75.239999999999995 109.715 176.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.8 mm -68.96 -27.55 35.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 116.017 -0.538 . . . . 73.0 110.437 -175.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.01 -48.21 63.67 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.182 -0.533 . . . . 62.409999999999997 112.76 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.429 HG22 ' CG ' ' A' ' 26' ' ' GLU . 7.6 t -79.3 -47.96 14.96 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 121.031 -0.268 . . . . 74.319999999999993 110.99 -179.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -51.07 -45.89 61.57 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.322 0.49 . . . . 70.109999999999999 112.322 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -65.57 -21.71 66.62 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.986 0.365 . . . . 73.219999999999999 111.986 -174.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -69.49 -29.21 66.81 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.855 0.359 . . . . 61.149999999999999 111.27 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.502 ' HD2' HG21 ' A' ' 81' ' ' THR . 15.4 t60 -139.61 50.37 1.77 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.054 -0.721 . . . . 74.340000000000003 109.054 -174.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -89.32 -50.37 6.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.175 -0.92 . . . . 52.350000000000001 112.067 -170.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.5 m -103.57 2.81 33.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.901 0.381 . . . . 74.239999999999995 111.098 -174.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.1 m -62.07 -60.4 3.66 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.633 0.605 . . . . 74.25 112.633 -174.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -51.3 -38.68 54.2 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.731 0.641 . . . . 73.239999999999995 112.731 -171.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -66.98 -45.49 77.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.942 0.401 . . . . 74.329999999999998 111.271 -174.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -91.7 -30.96 16.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.86 -0.609 . . . . 74.120000000000005 112.191 -174.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -64.72 -24.64 67.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.232 0.539 . . . . 74.530000000000001 110.346 -178.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.434 ' HG2' ' CZ ' ' A' ' 10' ' ' PHE . 9.8 tptp -126.54 88.73 2.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.845 -0.616 . . . . 63.520000000000003 109.722 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.78 -4.73 52.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.775 -0.648 . . . . 61.409999999999997 110.657 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -125.07 -172.74 2.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.158 -0.474 . . . . 71.140000000000001 110.223 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 82.6 m 68.74 91.64 0.09 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.406 0.622 . . . . 73.239999999999995 111.324 -178.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -118.3 169.45 9.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.47 -0.786 . . . . 71.349999999999994 110.234 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.0 47.34 83.59 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.783 -0.722 . . . . 53.43 111.765 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.5 tt -93.93 112.15 23.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.9 0.381 . . . . 64.140000000000001 110.135 -176.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -96.47 176.14 6.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.879 -0.601 . . . . 60.340000000000003 110.184 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -58.02 -33.33 68.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.609 -0.723 . . . . 61.130000000000003 112.17 -176.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -67.05 -9.81 43.19 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.241 0.459 . . . . 74.120000000000005 112.241 -177.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -90.05 -23.51 21.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 73.430000000000007 110.856 177.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -99.35 90.86 4.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.295 0.569 . . . . 62.219999999999999 109.847 -177.102 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.435 ' O ' HD23 ' A' ' 57' ' ' LEU . 38.7 p -126.73 175.18 8.18 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.738 -0.665 . . . . 65.430000000000007 110.227 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.456 ' HB2' ' HB3' ' A' ' 102' ' ' ASP . 7.6 tm-20 -59.45 -35.46 74.09 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.394 -0.595 . . . . 71.409999999999997 109.394 173.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -57.48 -43.55 84.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.462 -0.79 . . . . 71.420000000000002 110.081 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -62.61 -47.56 83.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.635 -0.711 . . . . 75.519999999999996 110.782 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 53' ' ' THR . 4.4 mm? -59.75 -42.88 94.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.98 0.419 . . . . 53.340000000000003 110.579 178.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -61.68 -48.66 79.81 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.696 -0.684 . . . . 55.119999999999997 110.665 177.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -61.99 -41.39 98.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.718 -0.673 . . . . 74.340000000000003 111.199 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -65.74 -36.14 82.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.953 -0.567 . . . . 74.329999999999998 109.902 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 49.8 tp -62.14 -48.78 78.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.019 -0.537 . . . . 62.219999999999999 110.532 175.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 77.5 mt -60.25 -47.82 90.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.572 -0.74 . . . . 63.0 110.545 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -57.19 -39.76 76.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.936 -0.575 . . . . 72.349999999999994 110.529 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.46 ' HG2' ' HB2' ' A' ' 75' ' ' ALA . 7.5 tpp -65.0 -57.06 9.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.703 -0.681 . . . . 61.109999999999999 110.766 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -65.22 -38.14 89.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.847 -0.615 . . . . 63.539999999999999 110.812 -173.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -78.32 -63.36 1.42 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.813 -0.63 . . . . 65.409999999999997 111.286 -178.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 56.0 m -80.23 -46.01 17.01 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.603 0.594 . . . . 51.210000000000001 112.603 -173.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 73.8 mt -94.06 4.8 53.38 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.752 0.279 . . . . 73.150000000000006 111.752 -171.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 18.0 t 67.43 -164.77 0.21 Allowed 'General case' 0 CA--C 1.535 0.379 0 O-C-N 123.429 0.455 . . . . 65.400000000000006 110.198 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 73.27 -173.2 0.14 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.05 0.54 . . . . 71.140000000000001 110.625 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -126.78 -172.79 2.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.229 -0.441 . . . . 75.129999999999995 110.829 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -55.66 -38.43 69.58 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.947 -0.57 . . . . 74.549999999999997 111.856 -177.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.2 m -55.04 -44.71 74.93 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.773 0.32 . . . . 62.219999999999999 111.432 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.3 m -77.8 -28.17 50.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.225 0.536 . . . . 71.129999999999995 111.047 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.46 ' HB2' ' HG2' ' A' ' 64' ' ' MET . . . -71.97 -43.24 65.47 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.41 -0.359 . . . . 71.510000000000005 110.707 177.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -62.2 -44.48 96.49 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.008 -0.542 . . . . 61.310000000000002 111.48 -176.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -26.81 68.64 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.681 0.276 . . . . 74.340000000000003 111.011 -179.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -77.32 -49.69 14.44 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 121.036 0.446 . . . . 62.130000000000003 110.297 175.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 75' ' ' ALA . 96.3 mt -59.08 -31.18 68.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.378 -0.828 . . . . 61.520000000000003 111.465 -178.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.577 ' HA ' ' HB3' ' A' ' 83' ' ' LYS . 69.8 m -59.38 -28.78 67.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.087 -0.506 . . . . 72.420000000000002 112.227 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.502 HG21 ' HD2' ' A' ' 33' ' ' HIS . 74.7 p -66.83 -44.33 81.39 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.52 -0.472 . . . . 75.0 110.756 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.5 mt -71.17 -36.82 64.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 75.200000000000003 109.596 174.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.577 ' HB3' ' HA ' ' A' ' 80' ' ' SER . 76.5 tttt -53.56 -47.97 69.56 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.469 -0.787 . . . . 74.310000000000002 111.78 178.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.524 HG12 ' O ' ' A' ' 80' ' ' SER . 44.7 mm -55.52 -41.3 62.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.493 0.187 . . . . 74.239999999999995 111.19 -177.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -70.58 -48.14 56.75 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.696 -0.401 . . . . 63.340000000000003 110.093 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.656 ' O ' HG13 ' A' ' 90' ' ' ILE . 79.5 t -59.88 -54.97 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.974 -0.557 . . . . 74.209999999999994 110.769 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.816 ' HA ' HD12 ' A' ' 90' ' ' ILE . 2.3 m -55.41 -44.28 76.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.785 -0.643 . . . . 75.329999999999998 111.583 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.02 91.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.811 0.339 . . . . 63.219999999999999 110.607 177.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.06 -24.7 67.8 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.163 -0.471 . . . . 72.329999999999998 111.406 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.816 HD12 ' HA ' ' A' ' 87' ' ' SER . 76.1 mt -64.53 -53.05 47.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.177 -0.465 . . . . 74.219999999999999 110.361 178.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -77.33 -29.12 53.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.708 -0.678 . . . . 71.239999999999995 110.509 -178.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -66.18 -43.31 87.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.993 -0.549 . . . . 61.530000000000001 110.754 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 134.92 50.69 0.08 OUTLIER Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.128 -1.034 . . . . 40.310000000000002 113.915 175.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -140.78 -70.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 117.001 0.4 . . . . 73.200000000000003 110.675 172.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.479 ' HG3' HG13 ' A' ' 86' ' ' VAL . 81.7 mmm -65.29 140.15 58.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.01 0.433 . . . . 73.420000000000002 110.817 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -75.13 -48.41 23.86 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.748 -0.66 . . . . 70.450000000000003 111.076 -176.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -146.78 158.69 43.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.021 -0.536 . . . . 75.549999999999997 111.146 -173.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.05 142.1 87.23 Favored Pre-proline 0 N--CA 1.45 -0.474 0 CA-C-N 115.519 -0.764 . . . . 73.430000000000007 110.239 178.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.06 -36.07 2.73 Favored 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 122.458 2.105 . . . . 64.329999999999998 112.536 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.788 ' HA ' ' HD2' ' A' ' 103' ' ' PHE . 51.2 p90 -74.95 -17.85 60.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.563 0.697 . . . . 75.25 110.843 -178.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.422 ' HE3' ' HB3' ' A' ' 101' ' ' LYS . 0.6 OUTLIER -71.89 -25.22 61.84 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.228 -0.897 . . . . 74.439999999999998 110.404 179.202 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.456 ' HB3' ' HB2' ' A' ' 54' ' ' GLU . 33.4 t70 -95.22 7.24 46.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.97 -0.559 . . . . 70.439999999999998 111.381 -173.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.788 ' HD2' ' HA ' ' A' ' 100' ' ' PHE . 5.7 m-85 . . . . . 0 C--N 1.326 -0.425 0 N-CA-C 112.652 0.612 . . . . 44.039999999999999 112.652 -177.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.429 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 0.2 OUTLIER . . . . . 0 CA--C 1.511 -0.556 0 CA-C-O 121.787 0.803 . . . . 72.319999999999993 111.948 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.427 ' H ' ' HG2' ' A' ' 8' ' ' LYS . 18.8 pttm -95.49 -36.03 11.46 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 113.796 -1.547 . . . . 74.450000000000003 111.218 -176.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.46 ' CB ' ' HA3' ' A' ' 46' ' ' GLY . 49.5 m -126.24 169.29 13.02 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.376 0.51 . . . . 60.210000000000001 112.376 -168.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -56.28 -43.47 78.85 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 115.416 -0.811 . . . . 75.519999999999996 111.952 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.3 p80 -65.47 -25.54 67.54 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.775 -0.37 . . . . 64.120000000000005 111.243 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.429 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 22.5 m-20 -81.1 -46.19 15.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.09 0.472 . . . . 70.109999999999999 110.107 176.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.431 ' CD1' ' HD1' ' A' ' 85' ' ' TYR . 61.0 t80 -60.44 -52.59 64.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.558 -0.746 . . . . 64.219999999999999 110.992 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.7 t -61.02 -33.78 57.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.242 -0.435 . . . . 71.439999999999998 110.811 -177.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.97 95.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 72.129999999999995 110.821 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.0 t -79.46 -38.95 33.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.235 -0.438 . . . . 60.229999999999997 110.684 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -72.05 -38.11 69.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.426 -0.352 . . . . 53.310000000000002 110.792 -176.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 35.7 tpp -60.1 -38.81 84.05 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.754 -0.461 . . . . 75.219999999999999 109.754 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.542 ' HD3' ' O ' ' A' ' 19' ' ' LYS . 1.7 tmtp? -73.61 -22.66 59.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.645 -0.707 . . . . 74.319999999999993 110.109 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.9 m -63.39 -56.42 16.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.357 -0.383 . . . . 52.030000000000001 110.812 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -88.15 -3.27 58.9 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 120.808 -0.357 . . . . 75.420000000000002 111.365 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.841 ' HA ' ' HB2' ' A' ' 25' ' ' LEU . 43.2 t -56.03 -18.78 10.41 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.302 -0.408 . . . . 71.409999999999997 111.022 173.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -51.82 -35.88 45.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.984 -0.553 . . . . 73.409999999999997 111.047 175.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.3 mtt-85 -112.64 8.43 19.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.256 -0.429 . . . . 73.420000000000002 111.342 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.841 ' HB2' ' HA ' ' A' ' 22' ' ' SER . 3.8 mp -86.87 121.28 29.14 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.691 -0.485 . . . . 71.209999999999994 109.691 176.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -68.51 165.58 18.76 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.912 -0.585 . . . . 72.510000000000005 110.377 175.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.444 HG22 ' HD2' ' A' ' 31' ' ' ARG . 58.8 mt -61.03 -35.72 67.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.568 -0.742 . . . . 73.049999999999997 111.089 -175.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.52 -60.75 8.11 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-N 116.136 -0.484 . . . . 34.439999999999998 113.508 -177.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.7 t -66.99 -37.1 83.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.042 0.421 . . . . 72.099999999999994 111.387 -177.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -63.99 -45.91 86.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.58 -0.282 . . . . 54.439999999999998 111.543 -175.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.444 ' HD2' HG22 ' A' ' 27' ' ' ILE . 16.1 ptm180 -74.3 -20.28 60.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.709 0.29 . . . . 72.219999999999999 111.462 -176.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.83 -59.12 3.3 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.244 0.461 . . . . 71.010000000000005 112.244 -175.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -100.16 23.08 10.47 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.894 0.331 . . . . 53.409999999999997 111.894 -173.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -73.35 -48.37 34.81 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 121.014 0.435 . . . . 70.129999999999995 111.568 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 m -72.48 -22.56 61.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.021 -0.536 . . . . 51.039999999999999 111.888 -174.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.531 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 60.9 m -56.13 -60.34 3.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.83 0.347 . . . . 51.340000000000003 111.684 -175.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 54.0 ttp -72.03 -27.3 62.62 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.255 -0.43 . . . . 63.32 110.859 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 38' ' ' ARG . 8.7 mtt180 -72.05 -26.98 62.4 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.787 0.662 . . . . 72.200000000000003 112.787 -174.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 36' ' ' CYS . 59.1 pttt -72.38 -22.03 61.2 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.753 -0.779 . . . . 73.25 109.9 177.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -88.91 1.07 55.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.453 0.644 . . . . 74.310000000000002 110.095 177.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 24.6 ttpp -75.32 6.09 4.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.706 -0.679 . . . . 73.25 111.542 -175.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -100.11 9.13 43.31 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.466 0.651 . . . . 73.010000000000005 109.98 174.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -90.62 103.68 16.35 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.456 -0.942 . . . . 73.319999999999993 108.456 173.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.1 t -63.05 -37.41 87.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 75.209999999999994 111.155 -173.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -83.17 -157.09 0.21 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.154 0.502 . . . . 54.229999999999997 110.288 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.46 ' HA3' ' CB ' ' A' ' 9' ' ' SER . . . -169.96 -128.23 1.0 Allowed Glycine 0 N--CA 1.438 -1.229 0 C-N-CA 120.528 -0.844 . . . . 72.019999999999996 112.007 178.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.543 ' HG ' ' HB2' ' A' ' 51' ' ' GLU . 9.3 tt -169.67 127.76 0.93 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.035 -0.728 . . . . 60.200000000000003 109.035 -174.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -101.05 -177.57 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.621 -0.263 . . . . 73.329999999999998 111.029 -177.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -55.15 -37.35 66.87 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.299 -0.409 . . . . 74.219999999999999 112.006 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -72.92 -30.42 63.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.171 -0.468 . . . . 75.030000000000001 111.126 -177.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.543 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . 11.4 mp0 -86.49 -11.36 51.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.101 -0.499 . . . . 63.439999999999998 110.572 -176.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.449 ' CD1' ' HG3' ' A' ' 99' ' ' PRO . 0.8 OUTLIER -74.01 94.84 2.42 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.316 -0.624 . . . . 61.109999999999999 109.316 178.732 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.0 p -125.67 162.92 23.93 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.058 -0.519 . . . . 70.400000000000006 110.842 -177.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.47 -36.79 74.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 72.219999999999999 110.241 176.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -57.5 -42.92 83.68 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.145 -0.479 . . . . 64.219999999999999 111.248 -177.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.436 ' HD2' HD22 ' A' ' 57' ' ' LEU . 76.1 t80 -62.26 -51.6 67.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.828 0.347 . . . . 75.409999999999997 110.304 178.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.436 HD22 ' HD2' ' A' ' 56' ' ' PHE . 4.4 mm? -60.69 -45.06 95.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.783 -0.644 . . . . 71.219999999999999 110.974 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -65.01 -50.3 66.84 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.307 -0.86 . . . . 74.549999999999997 111.008 -177.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -64.21 -37.79 88.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.082 -0.508 . . . . 64.209999999999994 111.177 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.417 ' HD2' HD21 ' A' ' 79' ' ' LEU . 49.8 t80 -71.29 -37.23 71.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 73.430000000000007 110.368 -179.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.503 HD22 ' HZ ' ' A' ' 103' ' ' PHE . 49.1 tp -57.27 -53.4 58.5 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.163 -0.471 . . . . 74.140000000000001 110.14 175.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.9 mt -60.42 -48.69 87.35 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.459 0 CA-C-N 115.643 -0.708 . . . . 75.219999999999999 110.177 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -53.98 -41.7 68.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.101 0.477 . . . . 73.310000000000002 111.26 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.505 ' HE1' ' HB3' ' A' ' 78' ' ' ASN . 6.2 ttp -70.38 -40.89 73.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.922 -0.581 . . . . 75.219999999999999 111.723 -176.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.689 ' HA ' ' H ' ' A' ' 70' ' ' ASN . 21.9 ptmt -83.73 -24.69 31.06 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 111.825 0.306 . . . . 72.340000000000003 111.825 -178.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -93.88 -63.92 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.567 -0.288 . . . . 74.349999999999994 111.75 -175.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.3 m -79.24 -39.1 33.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.954 0.407 . . . . 71.420000000000002 111.042 -174.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 64' ' ' MET . 87.8 mt -88.74 -14.17 37.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.29 -0.414 . . . . 74.510000000000005 110.644 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.458 ' C ' HD22 ' A' ' 70' ' ' ASN . 45.6 t 54.29 76.82 0.22 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.728 -0.669 . . . . 72.230000000000004 111.636 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.689 ' H ' ' HA ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -120.87 162.07 20.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.162 -0.472 . . . . 72.030000000000001 109.981 176.326 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.56 162.91 24.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.291 -0.413 . . . . 64.310000000000002 110.43 177.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.97 -47.3 85.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.263 -0.426 . . . . 62.130000000000003 110.877 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.4 m -66.85 -20.14 65.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.579 . . . . 63.549999999999997 111.514 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.9 m -83.54 -48.05 10.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.189 0.519 . . . . 72.0 110.238 178.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.46 -46.9 84.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.696 -0.684 . . . . 53.539999999999999 111.116 -178.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -59.88 -36.13 76.29 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.924 -0.58 . . . . 72.450000000000003 111.047 178.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -66.79 -41.4 87.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.113 0.482 . . . . 75.510000000000005 110.517 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.505 ' HB3' ' HE1' ' A' ' 64' ' ' MET . 8.3 t30 -70.03 -37.54 75.63 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.807 -0.633 . . . . 64.209999999999994 110.193 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.417 HD21 ' HD2' ' A' ' 60' ' ' TYR . 65.0 mt -65.18 -34.1 77.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.794 -0.639 . . . . 55.539999999999999 111.077 176.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.495 ' HA ' ' HB3' ' A' ' 83' ' ' LYS . 68.3 m -60.0 -21.74 61.69 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.373 -0.376 . . . . 75.010000000000005 111.831 177.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.2 m -73.09 -43.31 61.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 72.450000000000003 110.486 178.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.7 mt -70.9 -32.87 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.463 0.649 . . . . 65.5 109.279 174.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.495 ' HB3' ' HA ' ' A' ' 80' ' ' SER . 78.2 tttt -52.4 -38.85 60.0 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.031 -0.986 . . . . 75.209999999999994 111.933 175.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 50.1 mm -57.87 -37.9 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.363 . . . . 73.200000000000003 110.454 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.431 ' HD1' ' CD1' ' A' ' 13' ' ' PHE . 79.1 t80 -68.24 -50.45 53.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.319 0.58 . . . . 74.409999999999997 109.97 177.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 90' ' ' ILE . 48.2 t -58.75 -55.56 22.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 114.96 -1.018 . . . . 75.420000000000002 111.056 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 m -61.54 -35.36 77.53 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.047 -0.979 . . . . 53.229999999999997 112.128 -175.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.99 -36.38 75.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.962 0.411 . . . . 74.230000000000004 110.753 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.77 -25.62 61.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 74.439999999999998 111.17 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.59 HD13 ' HB3' ' A' ' 98' ' ' ASP . 66.6 mt -82.76 -33.08 10.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.06 0.457 . . . . 71.420000000000002 110.839 176.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -69.4 -45.29 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.822 -0.626 . . . . 64.200000000000003 110.133 -175.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -163.47 68.64 0.2 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.215 0.531 . . . . 60.030000000000001 109.736 172.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -136.29 -76.66 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.457 -0.878 . . . . 65.310000000000002 112.49 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -157.46 -40.82 0.07 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.743 0.306 . . . . 75.019999999999996 111.134 -175.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 83.5 mtp -73.16 137.47 45.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 73.230000000000004 111.267 -175.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -96.12 -47.27 6.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 74.349999999999994 110.638 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -107.55 157.82 17.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.123 -0.49 . . . . 61.43 109.952 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.59 ' HB3' HD13 ' A' ' 90' ' ' ILE . 3.5 p-10 -108.44 153.52 42.01 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 115.443 -0.799 . . . . 55.509999999999998 110.982 -175.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.449 ' HG3' ' CD1' ' A' ' 52' ' ' LEU . 73.9 Cg_endo -75.07 -20.07 17.08 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.644 2.229 . . . . 63.25 113.007 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.816 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 40.7 p90 -85.28 -5.68 59.3 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.431 0.634 . . . . 63.350000000000001 111.473 -176.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -61.57 -43.48 98.78 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.085 -0.962 . . . . 75.200000000000003 109.998 168.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.7 6.83 32.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.315 -0.857 . . . . 71.230000000000004 111.009 -178.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.816 ' HB2' ' HA ' ' A' ' 100' ' ' PHE . 66.7 t80 . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 121.621 0.724 . . . . 74.019999999999996 110.194 -177.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 120.812 0.339 . . . . 73.230000000000004 111.257 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.669 ' HD2' ' HG2' ' A' ' 42' ' ' GLU . 3.5 ptpt -54.01 -38.46 65.14 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.987 -0.552 . . . . 70.510000000000005 110.955 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.538 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 32.0 t -162.08 164.91 27.84 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.855 -0.794 . . . . 71.209999999999994 108.855 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.563 ' O ' HG23 ' A' ' 14' ' ' VAL . 80.4 m-85 -63.44 -28.66 70.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.542 -0.299 . . . . 74.420000000000002 111.116 -178.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -64.61 -38.6 91.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 60.420000000000002 110.78 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -70.81 -35.23 72.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.415 0.626 . . . . 75.319999999999993 110.099 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -64.31 -39.22 93.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.349 -0.841 . . . . 72.030000000000001 110.09 174.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.638 HG11 ' HB ' ' A' ' 81' ' ' THR . 69.2 t -55.43 -47.87 77.74 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.165 0 CA-C-N 116.015 -0.538 . . . . 64.230000000000004 110.312 175.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.63 -44.09 93.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.399 . . . . 63.43 111.075 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.5 t -61.81 -40.89 96.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.959 -0.564 . . . . 64.129999999999995 110.992 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -75.72 -34.38 60.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.984 0.421 . . . . 71.010000000000005 110.238 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.68 ' HA ' ' CE1' ' A' ' 21' ' ' TYR . 39.0 ttm -64.7 -44.55 89.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.67 -0.695 . . . . 75.140000000000001 111.496 -175.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -65.8 -22.64 66.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.939 0.399 . . . . 73.109999999999999 110.501 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.3 m -76.73 -52.46 9.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.189 -0.459 . . . . 63.420000000000002 110.896 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.68 ' CE1' ' HA ' ' A' ' 18' ' ' MET . 3.8 p90 -80.46 0.83 31.82 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 120.766 -0.374 . . . . 74.549999999999997 110.76 -178.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.5 t -57.72 -25.35 60.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 73.439999999999998 110.828 175.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.3 mtm105 -67.71 -19.79 65.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.171 0.51 . . . . 75.549999999999997 110.87 177.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -108.76 13.23 25.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.814 -0.63 . . . . 73.439999999999998 110.088 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.614 ' HG ' HG23 ' A' ' 29' ' ' THR . 15.4 tp -127.05 141.4 51.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.311 -0.404 . . . . 71.219999999999999 110.361 -176.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.433 ' HB3' HG22 ' A' ' 29' ' ' THR . 0.5 OUTLIER -62.35 151.01 37.98 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.099 -0.5 . . . . 73.310000000000002 109.819 174.005 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.7 mt -67.29 -42.04 87.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 116.133 -0.485 . . . . 74.230000000000004 110.524 -177.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.67 -42.1 96.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.115 -0.564 . . . . 61.439999999999998 112.89 -177.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.614 HG23 ' HG ' ' A' ' 25' ' ' LEU . 7.8 t -78.08 -40.38 38.62 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 122.706 -0.291 . . . . 74.030000000000001 110.813 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.612 ' HE1' ' HG2' ' A' ' 18' ' ' MET . 88.3 t80 -56.06 -52.45 64.21 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.094 0.474 . . . . 71.519999999999996 110.324 173.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 31' ' ' ARG . 14.8 ttt-85 -55.08 -34.98 64.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.365 -0.834 . . . . 74.420000000000002 111.428 177.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -68.22 -16.99 64.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.497 -0.774 . . . . 61.340000000000003 112.241 -172.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -144.77 28.79 1.26 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.251 0.463 . . . . 75.209999999999994 112.251 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -90.87 -33.66 15.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.853 0.359 . . . . 73.010000000000005 111.756 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -80.67 -21.15 41.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.034 -0.53 . . . . 72.150000000000006 111.879 -174.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 63.4 m -51.37 -61.68 2.09 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 112.921 0.712 . . . . 65.319999999999993 112.921 -172.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -61.84 -36.35 80.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.481 -0.327 . . . . 74.150000000000006 111.525 -175.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.795 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -69.81 -47.85 61.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.151 -0.477 . . . . 54.299999999999997 111.164 -174.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -67.73 -30.36 69.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.14 -0.482 . . . . 61.450000000000003 110.583 -176.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -63.53 -31.25 72.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.783 -0.644 . . . . 75.430000000000007 110.476 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' HE2' ' HB3' ' A' ' 41' ' ' LYS . 48.7 mtpt 53.5 90.24 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.907 0.755 . . . . 71.439999999999998 110.119 -172.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.669 ' HG2' ' HD2' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -74.68 111.28 9.72 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.669 -0.696 . . . . 70.340000000000003 112.404 -170.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -107.68 14.47 25.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.232 -0.894 . . . . 63.530000000000001 108.895 169.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.9 t -62.55 109.17 1.3 Allowed 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.536 -1.211 . . . . 55.549999999999997 110.543 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -136.16 137.01 40.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.762 -0.654 . . . . 73.340000000000003 110.479 -176.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.66 10.65 32.6 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.87 -0.681 . . . . 53.119999999999997 112.458 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.515 HD23 ' HB2' ' A' ' 51' ' ' GLU . 1.2 tt -85.77 111.63 20.32 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.633 -0.506 . . . . 65.329999999999998 109.633 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.648 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 2.8 mp0 -83.28 -173.84 4.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.672 -0.24 . . . . 75.540000000000006 110.574 177.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.468 ' HB3' ' SD ' ' A' ' 95' ' ' MET . 92.5 m-85 -76.83 -47.73 20.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.956 0.407 . . . . 64.140000000000001 110.473 -176.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -81.55 2.74 27.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.819 0.342 . . . . 70.319999999999993 110.66 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.648 ' HG2' ' HB2' ' A' ' 48' ' ' GLN . 17.8 mm-40 -85.8 -14.38 45.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.356 0.598 . . . . 62.229999999999997 109.64 174.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.09 82.56 7.67 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.608 -0.886 . . . . 75.230000000000004 108.608 175.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.469 ' O ' HD23 ' A' ' 57' ' ' LEU . 26.6 p -121.54 179.12 4.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.782 -0.645 . . . . 62.130000000000003 111.706 -174.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 99' ' ' PRO . 59.0 mp0 -56.91 -36.41 70.14 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.468 -0.787 . . . . 62.340000000000003 110.664 176.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.35 -40.51 85.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.756 -0.656 . . . . 74.109999999999999 110.358 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -63.32 -46.43 86.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 64.319999999999993 110.222 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 53' ' ' THR . 4.3 mm? -57.23 -43.73 83.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.312 -0.404 . . . . 74.150000000000006 110.867 178.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -65.12 -50.48 65.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.19 -0.459 . . . . 74.150000000000006 110.838 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.05 -43.22 99.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.093 -0.503 . . . . 74.239999999999995 111.211 -178.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -68.95 -34.24 75.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.869 -0.605 . . . . 72.430000000000007 110.246 -178.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.662 ' HB2' HD11 ' A' ' 79' ' ' LEU . 52.5 tp -59.58 -51.12 71.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 74.120000000000005 110.11 174.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.3 mt -58.89 -46.54 91.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.28 -0.873 . . . . 72.510000000000005 110.853 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -61.7 -40.27 94.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.927 0.394 . . . . 75.010000000000005 110.671 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.579 ' O ' ' HB2' ' A' ' 68' ' ' LEU . 5.4 tpp -62.9 -45.76 91.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.694 -0.684 . . . . 64.120000000000005 110.675 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -76.77 -32.59 57.82 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.379 -0.828 . . . . 74.310000000000002 111.114 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -80.65 -64.43 1.19 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.327 -0.397 . . . . 74.230000000000004 111.715 -176.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.7 m -79.95 -46.84 16.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.523 -0.308 . . . . 71.299999999999997 111.799 -173.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.579 ' HB2' ' O ' ' A' ' 64' ' ' MET . 80.3 mt -74.7 -14.09 60.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.568 -0.287 . . . . 65.239999999999995 111.173 -176.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.1 t 68.58 20.67 8.28 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.27 0.557 . . . . 64.239999999999995 110.952 175.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -80.98 148.65 29.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.22 -0.445 . . . . 74.409999999999997 109.851 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.65 161.11 30.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.284 -0.416 . . . . 71.310000000000002 110.404 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.66 -52.59 55.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.013 -0.54 . . . . 71.439999999999998 110.798 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.546 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 13.6 m -64.14 -34.84 78.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.716 -0.675 . . . . 65.510000000000005 111.184 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.5 m -67.84 -39.5 83.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.11 0.481 . . . . 42.130000000000003 110.501 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.76 -33.46 75.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.989 -0.551 . . . . 71.400000000000006 110.332 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -62.0 -37.38 84.63 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.856 -0.611 . . . . 54.109999999999999 110.332 174.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 73' ' ' SER . 28.6 mmt180 -64.35 -45.42 87.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 73.209999999999994 109.815 176.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -63.5 -37.88 89.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.332 -0.849 . . . . 74.400000000000006 111.375 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.662 HD11 ' HB2' ' A' ' 61' ' ' LEU . 88.9 mt -71.72 -35.48 70.19 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.94 0.4 . . . . 70.230000000000004 110.732 177.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.591 ' O ' HG12 ' A' ' 84' ' ' ILE . 31.5 t -65.19 -25.53 67.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.977 -0.556 . . . . 71.319999999999993 111.391 -177.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.638 ' HB ' HG11 ' A' ' 14' ' ' VAL . 70.6 p -63.3 -49.83 72.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.099 0.476 . . . . 62.350000000000001 110.461 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.654 HG23 ' HE2' ' A' ' 85' ' ' TYR . 70.2 mt -63.55 -41.03 91.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.633 -0.712 . . . . 71.239999999999995 110.136 177.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 87' ' ' SER . 14.7 tmtt? -57.89 -31.77 67.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.536 -0.756 . . . . 75.019999999999996 111.241 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.591 HG12 ' O ' ' A' ' 80' ' ' SER . 45.3 mm -60.38 -51.82 68.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 C-N-CA 120.987 -0.285 . . . . 34.130000000000003 111.148 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.654 ' HE2' HG23 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -74.15 -34.75 63.94 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.567 -0.453 . . . . 74.109999999999999 110.349 -176.822 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 90' ' ' ILE . 69.8 t -64.21 -45.54 96.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.816 0.341 . . . . 73.0 110.123 177.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.487 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 0.6 OUTLIER -56.22 -34.58 66.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.933 -0.576 . . . . 63.109999999999999 111.082 177.082 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.36 -38.87 63.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 32.439999999999998 110.727 177.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.67 -24.68 64.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.981 -0.554 . . . . 64.109999999999999 111.468 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 86' ' ' VAL . 63.4 mt -81.18 -30.06 11.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.091 0.472 . . . . 73.010000000000005 110.085 175.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.01 -44.14 63.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.951 -0.568 . . . . 61.119999999999997 109.765 -176.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 92' ' ' LYS . 46.1 tptt -167.06 71.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.299 0.571 . . . . 74.230000000000004 110.267 174.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -140.0 -77.45 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.391 -0.822 . . . . 74.439999999999998 112.412 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -160.79 -35.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.782 0.325 . . . . 74.549999999999997 110.929 -177.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.468 ' SD ' ' HB3' ' A' ' 49' ' ' PHE . 88.8 mmm -66.67 121.57 15.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.156 -0.474 . . . . 72.140000000000001 111.07 -179.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -83.18 -41.78 18.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.757 -0.656 . . . . 64.510000000000005 110.628 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -116.32 164.36 14.64 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.297 -0.865 . . . . 74.409999999999997 111.241 -169.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.902 ' HB2' ' HB2' ' A' ' 101' ' ' LYS . 4.0 m-20 -95.41 143.86 26.83 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.203 -0.908 . . . . 71.109999999999999 111.462 -173.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.461 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 5.4 Cg_exo -81.92 -1.78 11.01 Favored 'Trans proline' 0 C--O 1.225 -0.146 0 C-N-CA 124.085 3.19 . . . . 54.219999999999999 111.685 173.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.665 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 29.8 p90 -128.3 25.56 5.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.497 1.142 . . . . 72.540000000000006 110.32 177.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.902 ' HB2' ' HB2' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -81.27 -38.13 27.36 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 113.3 -1.773 . . . . 74.420000000000002 110.385 -179.354 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -105.23 9.31 34.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 75.420000000000002 110.59 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.665 ' HB2' ' HA ' ' A' ' 100' ' ' PHE . 15.1 t80 . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.043 -0.526 . . . . 72.530000000000001 111.2 -171.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 . . . . . 0 N--CA 1.444 -0.741 0 CA-C-O 121.047 0.451 . . . . 73.109999999999999 110.325 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -97.62 -21.25 17.15 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.608 -0.724 . . . . 65.0 111.336 -177.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.485 ' HB2' ' OD1' ' A' ' 12' ' ' ASP . 19.3 m -101.09 142.11 33.0 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.893 -0.594 . . . . 53.409999999999997 111.199 -173.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -58.57 -45.76 88.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.88 -0.6 . . . . 75.340000000000003 111.865 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.498 ' HB2' ' HA ' ' A' ' 38' ' ' ARG . 4.2 p80 -68.51 -21.53 64.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.832 0.349 . . . . 70.230000000000004 110.859 -177.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.485 ' OD1' ' HB2' ' A' ' 9' ' ' SER . 3.2 m-20 -81.67 -49.95 9.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.899 -0.591 . . . . 51.420000000000002 110.926 175.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.632 ' CD1' ' HB2' ' A' ' 85' ' ' TYR . 7.6 t80 -59.8 -47.19 86.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.656 -0.702 . . . . 73.200000000000003 110.617 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.7 t -59.52 -40.76 82.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.266 -0.425 . . . . 70.219999999999999 111.018 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.17 -38.51 91.33 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.96 0.41 . . . . 72.340000000000003 110.875 -178.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -74.5 -42.75 58.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.033 -0.53 . . . . 73.209999999999994 110.864 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -68.68 -34.67 76.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.019 0.437 . . . . 75.409999999999997 109.95 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.465 ' O ' ' HB2' ' A' ' 22' ' ' SER . 33.4 tpp -63.47 -36.39 83.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.819 -0.628 . . . . 73.150000000000006 109.909 176.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -69.41 -31.39 69.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.565 -0.743 . . . . 72.319999999999993 109.973 175.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.3 m -63.64 -57.13 11.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 73.430000000000007 111.418 -177.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -89.7 5.78 44.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.106 0.479 . . . . 72.5 111.289 -177.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.556 ' HA ' ' HB2' ' A' ' 25' ' ' LEU . 42.3 t -60.52 -10.42 5.02 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.841 -0.618 . . . . 75.219999999999999 111.445 173.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -55.66 -25.69 40.66 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.596 0.358 . . . . 74.340000000000003 111.874 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -118.14 19.56 13.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.983 0.421 . . . . 63.219999999999999 110.845 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.556 ' HB2' ' HA ' ' A' ' 22' ' ' SER . 4.3 mp -109.56 130.22 55.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.257 -0.429 . . . . 60.439999999999998 111.027 -178.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -70.02 157.75 36.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.811 -0.631 . . . . 74.349999999999994 110.888 174.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.403 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 40.8 mm -56.34 -39.07 58.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.977 -0.556 . . . . 63.119999999999997 110.806 176.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.504 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -51.05 -50.45 39.02 Favored Glycine 0 CA--C 1.519 0.333 0 CA-C-N 116.165 -0.47 . . . . 74.530000000000001 113.067 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 t -79.38 -37.87 36.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.967 0.384 . . . . 74.450000000000003 110.861 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -64.36 -46.28 84.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.487 -0.324 . . . . 54.210000000000001 111.327 -174.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.79 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 31.9 ptt180 -75.06 -23.74 58.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.742 0.306 . . . . 70.430000000000007 110.548 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.504 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 2.8 t60 -66.06 -16.3 63.8 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.285 0.564 . . . . 75.209999999999994 110.222 -178.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -144.58 46.17 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.443 -0.799 . . . . 74.420000000000002 109.509 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.79 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 26.0 tptp -78.43 -75.27 0.23 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.628 -0.714 . . . . 72.109999999999999 111.478 -175.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 4.0 m -105.53 -4.64 20.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.166 -0.47 . . . . 62.109999999999999 110.632 -175.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.7 m -51.14 -59.64 3.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.497 -0.774 . . . . 63.5 112.747 -172.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -64.9 -31.33 72.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.165 -0.47 . . . . 75.010000000000005 112.158 -175.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.498 ' HA ' ' HB2' ' A' ' 11' ' ' HIS . 41.4 ttt180 -77.2 -42.34 37.89 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.612 -0.435 . . . . 71.329999999999998 111.086 -175.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.442 ' HE2' ' HB3' ' A' ' 39' ' ' LYS . 50.1 mtpt -63.57 -70.47 0.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.899 -0.591 . . . . 71.010000000000005 112.127 -178.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.505 ' CE1' ' HG ' ' A' ' 68' ' ' LEU . 44.1 t80 -54.36 -43.98 71.81 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.255 -0.884 . . . . 75.209999999999994 111.875 -175.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -83.86 65.26 8.52 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.98 -0.748 . . . . 71.140000000000001 108.98 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.28 -25.4 65.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.029 -0.987 . . . . 74.129999999999995 113.079 -169.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -71.36 129.93 40.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.452 0.644 . . . . 73.409999999999997 111.882 -173.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 74.6 m -114.29 166.3 11.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.31 -0.859 . . . . 71.129999999999995 109.91 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.445 ' CD ' ' H ' ' A' ' 46' ' ' GLY . 0.2 OUTLIER 66.61 177.39 0.23 Allowed 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.564 0.54 . . . . 74.340000000000003 109.856 -178.127 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.445 ' H ' ' CD ' ' A' ' 45' ' ' GLU . . . 71.8 37.77 61.02 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.754 -0.736 . . . . 43.409999999999997 111.642 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -146.42 131.03 17.83 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.516 -0.55 . . . . 61.329999999999998 109.516 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.587 ' H ' ' HB2' ' A' ' 51' ' ' GLU . 0.4 OUTLIER -138.64 -170.32 2.81 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.005 -0.739 . . . . 64.120000000000005 109.005 178.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -82.44 -32.22 29.09 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.079 0.466 . . . . 70.239999999999995 110.878 -176.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -91.62 -2.59 57.03 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.104 0.478 . . . . 74.319999999999993 110.328 177.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.587 ' HB2' ' H ' ' A' ' 48' ' ' GLN . 40.8 mm-40 -81.1 -32.62 33.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.373 0.606 . . . . 71.299999999999997 109.539 173.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.448 ' HA ' HD22 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -84.04 87.22 7.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.25 -0.886 . . . . 72.209999999999994 109.362 -179.644 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.451 ' O ' HD23 ' A' ' 57' ' ' LEU . 27.1 p -128.34 -179.31 4.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.902 -0.59 . . . . 62.409999999999997 111.336 -176.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.693 ' CG ' ' HA ' ' A' ' 103' ' ' PHE . 4.1 tm-20 -61.12 -41.64 97.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 70.510000000000005 110.27 176.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.81 -44.35 81.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 65.209999999999994 110.295 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 57.2 t80 -63.16 -51.61 65.73 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.53 -0.759 . . . . 73.129999999999995 110.323 177.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.506 HD13 HD22 ' A' ' 79' ' ' LEU . 3.4 mm? -59.87 -42.67 94.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.478 -0.328 . . . . 54.109999999999999 111.656 -178.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.404 ' HD2' HH11 ' A' ' 58' ' ' ARG . 0.7 OUTLIER -60.08 -46.58 89.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.206 -0.452 . . . . 72.230000000000004 110.877 179.63 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -71.95 -37.07 70.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.058 0.456 . . . . 73.019999999999996 110.828 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 56' ' ' PHE . 7.1 t80 -69.27 -30.32 68.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.764 -0.653 . . . . 75.329999999999998 110.998 -175.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 58.8 tp -62.89 -48.8 77.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.219 0.533 . . . . 71.120000000000005 109.988 174.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 57.3 mt -62.03 -44.85 99.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.403 -0.817 . . . . 63.049999999999997 110.107 175.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -55.64 -40.65 72.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.808 -0.633 . . . . 74.510000000000005 110.94 177.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 10.2 tpp -64.68 -49.54 70.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.338 0.589 . . . . 72.209999999999994 110.244 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 7.3 tmtt? -63.33 -40.1 96.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.439 -0.8 . . . . 73.340000000000003 110.758 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -78.68 -64.29 1.21 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.299 0.481 . . . . 73.409999999999997 112.299 -177.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 46.3 m -78.14 -38.41 43.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 63.030000000000001 112.148 -169.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.505 ' HG ' ' CE1' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -83.31 -13.61 54.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.077 0.465 . . . . 73.549999999999997 109.841 179.219 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.4 t 60.28 37.83 20.15 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.671 -0.695 . . . . 41.409999999999997 110.045 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.433 ' O ' ' HA ' ' A' ' 65' ' ' LYS . 0.9 OUTLIER -101.38 156.3 17.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.791 -0.641 . . . . 72.430000000000007 110.308 178.426 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.08 169.29 16.05 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.421 -0.585 . . . . 75.030000000000001 109.421 174.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -32.5 74.19 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.928 -0.309 . . . . 61.219999999999999 110.288 -175.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.3 m -58.27 -46.64 85.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.132 0.491 . . . . 75.209999999999994 110.664 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -77.26 -37.11 53.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.856 -0.611 . . . . 73.030000000000001 110.647 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.72 -45.43 92.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.958 -0.564 . . . . 63.149999999999999 111.066 179.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -65.21 -36.73 85.08 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 116.285 -0.416 . . . . 74.230000000000004 110.888 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -68.18 -39.91 82.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.806 0.336 . . . . 51.43 110.126 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.418 ' O ' HG13 ' A' ' 82' ' ' ILE . 9.4 t-20 -62.38 -43.49 98.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.06 -0.518 . . . . 65.109999999999999 110.01 177.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.528 HD23 HD12 ' A' ' 82' ' ' ILE . 73.7 mt -66.04 -30.25 70.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.9 -0.591 . . . . 64.0 110.761 176.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.6 m -69.05 -39.37 79.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.542 -0.299 . . . . 75.219999999999999 110.894 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.6 p -69.84 -26.29 64.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.982 0.42 . . . . 75.209999999999994 110.51 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.528 HD12 HD23 ' A' ' 79' ' ' LEU . 79.3 mt -72.92 -38.07 55.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.634 -0.506 . . . . 64.430000000000007 109.634 172.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.449 ' O ' ' HB2' ' A' ' 87' ' ' SER . 46.5 tttm -59.97 -29.72 68.62 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 116.099 -0.5 . . . . 65.019999999999996 110.508 177.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.7 mm -54.2 -49.64 61.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 121.39 -0.124 . . . . 71.019999999999996 111.229 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.632 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -74.4 -33.15 62.94 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 120.606 -0.438 . . . . 75.319999999999993 110.358 -178.008 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 90' ' ' ILE . 89.0 t -67.4 -47.08 82.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.242 0.544 . . . . 73.310000000000002 110.434 177.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.459 ' HA ' HD12 ' A' ' 90' ' ' ILE . 0.4 OUTLIER -63.93 -36.8 85.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.351 -0.841 . . . . 73.420000000000002 110.997 178.803 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.89 -39.06 90.28 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.22 0.533 . . . . 72.120000000000005 110.117 174.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.583 ' HB1' ' HB3' ' A' ' 94' ' ' TYR . . . -66.33 -24.48 66.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.648 -0.706 . . . . 73.120000000000005 111.281 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 86' ' ' VAL . 81.7 mt -66.22 -45.87 88.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.955 0.407 . . . . 64.329999999999998 109.994 175.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt -68.6 -32.2 71.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.956 -0.565 . . . . 75.209999999999994 111.003 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.474 ' HD3' ' O ' ' A' ' 92' ' ' LYS . 12.3 tmtt? -66.24 -35.38 80.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.24 0.543 . . . . 71.200000000000003 109.718 176.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.26 11.86 28.52 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.843 -0.694 . . . . 70.120000000000005 111.696 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.583 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 13.4 t80 -85.98 -49.17 8.03 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.734 -0.469 . . . . 72.510000000000005 109.734 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.508 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 95.7 mmm -98.41 134.95 40.69 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.709 -0.678 . . . . 61.229999999999997 109.776 176.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -73.42 -45.32 55.21 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.245 0.545 . . . . 72.540000000000006 109.984 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -150.18 175.17 12.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.305 -0.861 . . . . 52.420000000000002 109.037 176.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 101' ' ' LYS . 1.5 p30 -83.86 156.66 64.25 Favored Pre-proline 0 N--CA 1.445 -0.683 0 N-CA-C 109.946 -0.391 . . . . 52.340000000000003 109.946 177.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.01 -6.82 20.07 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 122.618 2.212 . . . . 60.310000000000002 112.75 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.723 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 97.3 m-85 -85.62 -19.14 31.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.341 -0.39 . . . . 71.209999999999994 110.582 -178.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 12.9 mmtt -47.75 -51.65 21.44 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.66 -0.7 . . . . 72.140000000000001 112.229 172.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -110.55 9.2 23.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.257 0.551 . . . . 72.409999999999997 110.32 -175.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.723 ' HB2' ' HA ' ' A' ' 100' ' ' PHE . 85.9 t80 . . . . . 0 N--CA 1.464 0.241 0 CA-C-N 115.398 -0.819 . . . . 63.43 111.425 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 N--CA 1.446 -0.652 0 CA-C-O 120.891 0.377 . . . . 73.150000000000006 110.158 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -92.52 -6.59 49.4 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.004 -0.543 . . . . 65.530000000000001 111.083 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.941 ' HB3' ' HA ' ' A' ' 44' ' ' CYS . 13.6 p -144.55 150.34 37.35 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.456 -0.793 . . . . 70.420000000000002 110.668 -178.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.543 ' CE1' HG12 ' A' ' 82' ' ' ILE . 5.4 p90 -70.48 -26.7 63.74 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.776 -0.453 . . . . 64.299999999999997 109.776 177.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.417 ' HD1' ' CD ' ' A' ' 45' ' ' GLU . 20.7 m80 -58.57 -39.36 80.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.98 -0.555 . . . . 70.019999999999996 110.472 175.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.521 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 19.4 t70 -79.59 -39.78 30.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.825 0.345 . . . . 74.209999999999994 110.169 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -57.36 -52.55 64.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.699 -0.682 . . . . 72.340000000000003 110.982 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.664 HG11 ' HB ' ' A' ' 81' ' ' THR . 84.1 t -61.08 -41.69 90.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.394 . . . . 65.430000000000007 110.751 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.94 -38.55 82.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 65.010000000000005 111.204 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.9 t -74.4 -40.96 61.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.457 -0.338 . . . . 64.549999999999997 110.737 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.485 ' O ' ' HB ' ' A' ' 20' ' ' THR . 63.3 t80 -68.85 -37.76 79.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.114 0.483 . . . . 74.510000000000005 110.273 179.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.732 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 41.9 ttm -69.12 -33.46 73.51 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.546 -0.539 . . . . 74.239999999999995 109.546 176.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -64.99 -32.0 73.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.372 -0.831 . . . . 64.129999999999995 109.827 173.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.485 ' HB ' ' O ' ' A' ' 17' ' ' TYR . 88.9 m -59.48 -51.87 68.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.705 -0.68 . . . . 64.200000000000003 111.43 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.732 ' CE2' ' HA ' ' A' ' 18' ' ' MET . 47.7 p90 -87.65 -2.36 58.56 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 120.147 -0.621 . . . . 73.239999999999995 110.915 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.629 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 38.7 t -68.73 -10.64 57.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.061 -0.518 . . . . 52.450000000000003 110.773 174.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -65.59 -28.57 69.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.315 -0.402 . . . . 75.319999999999993 111.235 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.442 ' HD2' ' C ' ' A' ' 24' ' ' ARG . 4.5 ppt_? -113.03 3.93 16.42 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.794 0.664 . . . . 72.099999999999994 112.794 -172.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.629 ' HG ' ' HA ' ' A' ' 22' ' ' SER . 2.7 pp -110.37 159.39 17.49 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.3 0.571 . . . . 75.120000000000005 111.387 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -71.81 148.12 46.55 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-N 115.135 -0.939 . . . . 71.120000000000005 109.283 169.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.8 mm -63.74 -25.43 38.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 116.088 -0.505 . . . . 74.329999999999998 111.114 -174.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -53.81 -46.5 67.7 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 121.333 -0.46 . . . . 65.420000000000002 113.777 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.7 t -73.3 -40.28 64.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 117.207 0.503 . . . . 70.299999999999997 110.94 -178.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.416 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 82.7 t80 -60.48 -53.42 57.7 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.0 0.428 . . . . 52.310000000000002 110.951 175.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.565 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 50.7 ttt180 -63.51 -28.02 69.66 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.685 -0.689 . . . . 61.299999999999997 111.874 -177.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 8.2 t-160 -52.4 -32.73 40.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.63 -0.714 . . . . 73.099999999999994 111.706 -176.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -134.16 24.14 3.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.38 0.61 . . . . 75.209999999999994 110.18 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.565 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 14.7 tmtt? -77.11 -41.13 43.26 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.098 -0.955 . . . . 73.219999999999999 111.492 -173.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.1 m -85.64 -28.91 24.45 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.215 -0.448 . . . . 72.540000000000006 111.222 -174.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.7 t -53.19 -62.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.923 -0.58 . . . . 64.329999999999998 111.942 -174.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -61.36 -34.45 75.33 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.482 -0.781 . . . . 73.510000000000005 112.362 -173.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.521 ' NH2' ' HA ' ' A' ' 12' ' ' ASP . 23.4 mmt180 -77.88 -26.64 49.33 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.795 0.295 . . . . 71.140000000000001 111.795 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -70.14 -11.87 61.2 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.889 0.376 . . . . 73.140000000000001 111.522 -174.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.561 ' HD1' ' HG2' ' A' ' 42' ' ' GLU . 6.5 t80 -63.69 -22.92 67.15 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.166 0.508 . . . . 70.349999999999994 109.797 176.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.7 tptm 70.56 27.96 3.69 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.273 -0.876 . . . . 75.5 111.975 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.561 ' HG2' ' HD1' ' A' ' 40' ' ' PHE . 10.4 mm-40 -77.95 144.06 37.11 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.662 -0.496 . . . . 73.409999999999997 109.662 173.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -89.87 -73.64 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.04 0.448 . . . . 64.109999999999999 111.033 -175.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.941 ' HA ' ' HB3' ' A' ' 9' ' ' SER . 70.9 m -145.22 87.02 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.253 -0.431 . . . . 73.400000000000006 110.955 -178.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.561 ' OE2' ' HB2' ' A' ' 9' ' ' SER . 2.8 pm0 -87.05 112.87 22.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.486 0.66 . . . . 70.109999999999999 110.347 176.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -115.75 69.76 0.27 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.997 -0.62 . . . . 64.109999999999999 111.861 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.635 HD13 ' H ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -96.65 164.31 12.65 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 111.824 0.305 . . . . 61.340000000000003 111.824 -177.158 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.4 ' HB3' ' H ' ' A' ' 49' ' ' PHE . 80.9 mm-40 -118.56 -164.33 1.02 Allowed 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 112.355 0.502 . . . . 70.329999999999998 112.355 -174.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.473 ' CD1' ' HE2' ' A' ' 94' ' ' TYR . 25.6 p90 -56.47 -43.53 79.68 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.576 0.954 . . . . 71.329999999999998 113.576 -168.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -79.62 -16.77 55.23 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.431 -0.508 . . . . 74.219999999999999 110.626 -175.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.442 ' CB ' ' HB2' ' A' ' 47' ' ' LEU . 5.6 mp0 -83.38 -39.11 21.11 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.472 -0.566 . . . . 73.040000000000006 109.472 176.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.454 HD23 HD21 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -83.55 83.46 7.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.435 0.636 . . . . 70.310000000000002 109.44 177.412 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -129.37 174.31 9.74 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.546 -0.752 . . . . 63.439999999999998 110.166 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.751 ' HG3' ' HA ' ' A' ' 103' ' ' PHE . 3.3 tm-20 -55.73 -40.66 72.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.969 0.414 . . . . 73.340000000000003 109.984 176.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -55.67 -39.41 70.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.541 -0.754 . . . . 63.25 111.315 177.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -68.58 -47.91 65.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.483 -0.326 . . . . 64.109999999999999 110.659 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.95 -43.15 86.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 64.439999999999998 110.38 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -65.92 -47.99 72.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.71 -0.677 . . . . 61.210000000000001 110.623 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.79 -44.47 93.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 51.130000000000003 111.134 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -61.99 -41.01 97.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.842 -0.617 . . . . 70.450000000000003 110.073 -179.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.4 tp -65.33 -48.49 72.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.537 -0.756 . . . . 60.310000000000002 111.112 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 76.2 mt -63.47 -46.2 95.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.936 -0.575 . . . . 42.450000000000003 111.04 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -57.94 -37.61 74.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.153 0.501 . . . . 75.430000000000007 110.647 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.725 ' HG2' ' HB2' ' A' ' 75' ' ' ALA . 14.7 tpp -58.63 -45.74 88.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.344 -0.844 . . . . 73.549999999999997 110.789 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 69' ' ' CYS . 12.7 tmtt? -79.59 -39.91 30.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.795 -0.638 . . . . 73.120000000000005 110.771 -177.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -73.33 -63.69 1.14 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.373 -0.376 . . . . 73.349999999999994 111.799 -175.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.5 m -79.98 -47.26 15.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.397 -0.365 . . . . 64.450000000000003 111.633 -174.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 64' ' ' MET . 88.7 mt -83.55 -18.36 38.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.583 -0.28 . . . . 73.040000000000006 111.127 -176.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 76.4 m 64.58 28.76 13.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.205 -0.452 . . . . 72.129999999999995 111.334 178.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.685 ' HB2' ' HG3' ' A' ' 64' ' ' MET . 0.9 OUTLIER -91.45 160.0 15.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.281 -0.418 . . . . 74.140000000000001 109.9 177.21 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.74 161.2 27.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.613 -0.267 . . . . 73.209999999999994 110.745 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -62.49 -36.48 82.64 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.443 -0.344 . . . . 64.329999999999998 110.087 178.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.579 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 14.8 m -56.85 -47.1 81.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.916 0.389 . . . . 71.099999999999994 110.483 177.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.7 m -60.71 -47.03 88.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.948 -0.569 . . . . 71.120000000000005 110.677 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.725 ' HB2' ' HG2' ' A' ' 64' ' ' MET . . . -61.04 -41.24 96.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.64 -0.709 . . . . 73.549999999999997 111.188 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -61.42 -34.0 74.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.96 -0.564 . . . . 63.509999999999998 111.544 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.579 ' HG2' ' O ' ' A' ' 73' ' ' SER . 14.9 mmt180 -69.28 -41.88 76.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.378 0.608 . . . . 65.0 109.887 177.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -62.74 -46.72 86.76 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.513 -0.767 . . . . 74.129999999999995 110.267 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.472 HD23 HD12 ' A' ' 82' ' ' ILE . 94.5 mt -66.21 -31.36 72.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.797 -0.638 . . . . 74.519999999999996 111.98 -178.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.539 ' O ' ' HB2' ' A' ' 83' ' ' LYS . 95.7 p -65.44 -22.36 66.75 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.136 -0.225 . . . . 73.0 111.577 -177.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.664 ' HB ' HG11 ' A' ' 14' ' ' VAL . 54.5 p -75.37 -40.2 58.32 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.449 -0.575 . . . . 72.400000000000006 109.449 176.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.543 HG12 ' CE1' ' A' ' 10' ' ' PHE . 66.9 mt -60.51 -32.66 51.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.602 -0.726 . . . . 72.409999999999997 109.982 176.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.539 ' HB2' ' O ' ' A' ' 80' ' ' SER . 31.0 mmtp -50.46 -44.64 55.69 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.696 -0.683 . . . . 73.209999999999994 111.364 175.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.3 mm -59.59 -44.45 93.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.54 -0.3 . . . . 63.420000000000002 110.747 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -65.67 -49.47 68.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.112 0.482 . . . . 63.509999999999998 110.253 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.523 ' O ' HG13 ' A' ' 90' ' ' ILE . 95.9 t -60.74 -51.67 70.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.403 -0.817 . . . . 50.219999999999999 110.598 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 m -59.1 -40.87 86.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.807 -0.633 . . . . 73.299999999999997 111.845 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.12 -38.03 89.35 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.064 0.459 . . . . 62.130000000000003 110.449 176.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.635 ' HA ' ' HA3' ' A' ' 93' ' ' GLY . . . -70.98 -24.26 62.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.812 -0.631 . . . . 63.43 111.247 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 86' ' ' VAL . 81.3 mt -81.62 -36.91 14.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 120.961 0.41 . . . . 72.340000000000003 110.394 176.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -68.36 -45.32 73.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.068 -0.515 . . . . 74.319999999999993 110.122 -178.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -163.82 64.71 0.16 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.995 -0.548 . . . . 52.200000000000003 110.185 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.635 ' HA3' ' HA ' ' A' ' 89' ' ' ALA . . . -136.16 -83.84 0.16 Allowed Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.248 -0.977 . . . . 44.43 112.928 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.473 ' HE2' ' CD1' ' A' ' 49' ' ' PHE . 32.2 t80 -161.4 -29.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.874 0.369 . . . . 63.149999999999999 110.88 -172.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.441 ' SD ' ' HA ' ' A' ' 49' ' ' PHE . 95.6 mmm -71.78 124.57 25.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 75.219999999999999 110.639 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -84.39 -42.18 15.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.492 -0.322 . . . . 74.5 111.552 -177.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -121.16 167.52 12.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.317 . . . . 51.049999999999997 110.782 -174.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.459 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 11.0 m-20 -87.33 142.2 33.16 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.856 -0.611 . . . . 64.409999999999997 110.231 178.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 5.6 Cg_exo -82.65 -35.57 0.3 Allowed 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.839 2.359 . . . . 71.129999999999995 112.47 176.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.475 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 39.0 p90 -80.45 -29.24 37.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.257 -0.429 . . . . 72.409999999999997 111.608 -174.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -47.05 -47.67 22.54 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 122.855 0.462 . . . . 74.319999999999993 112.23 175.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -109.41 27.08 9.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.854 -0.612 . . . . 62.039999999999999 111.102 -175.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.751 ' HA ' ' HG3' ' A' ' 54' ' ' GLU . 49.0 t80 . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 115.766 -0.652 . . . . 74.319999999999993 109.55 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.444 ' HB3' ' OD1' ' A' ' 12' ' ' ASP . 0.3 OUTLIER . . . . . 0 CA--C 1.516 -0.328 0 CA-C-O 121.477 0.656 . . . . 75.420000000000002 111.703 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -102.28 -9.37 20.45 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.069 -0.969 . . . . 73.230000000000004 109.791 176.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.419 ' OG ' ' HA ' ' A' ' 45' ' ' GLU . 4.8 m -98.3 139.66 33.73 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 114.541 -1.209 . . . . 52.119999999999997 110.347 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.843 ' HE1' ' HB2' ' A' ' 44' ' ' CYS . 32.9 p90 -59.69 -42.41 92.91 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 120.503 0.192 . . . . 71.540000000000006 111.231 -177.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.677 ' HB2' ' HG3' ' A' ' 38' ' ' ARG . 8.7 p-80 -65.91 -28.28 68.82 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.995 0.426 . . . . 71.409999999999997 110.653 -178.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.444 ' OD1' ' HB3' ' A' ' 7' ' ' PHE . 5.0 t70 -80.85 -45.43 16.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.909 -0.587 . . . . 72.519999999999996 109.663 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -56.58 -51.43 68.63 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.061 -0.972 . . . . 61.340000000000003 110.213 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.558 ' O ' ' HB2' ' A' ' 18' ' ' MET . 88.9 t -57.16 -49.53 79.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.811 -0.631 . . . . 73.310000000000002 110.718 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.6 -30.86 67.56 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.84 0.311 . . . . 43.240000000000002 111.84 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.4 t -84.21 -51.55 6.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.808 0.337 . . . . 54.0 110.809 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -70.62 -30.59 67.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.334 -0.394 . . . . 70.219999999999999 111.242 -174.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.558 ' HB2' ' O ' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -63.2 -29.54 70.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.35 -0.386 . . . . 71.109999999999999 110.213 -178.607 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -60.11 -46.79 88.45 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.001 0.429 . . . . 74.120000000000005 110.401 176.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -62.41 -35.89 80.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.727 -0.67 . . . . 73.150000000000006 110.566 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -77.05 -29.37 55.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.815 -0.63 . . . . 75.140000000000001 110.362 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.595 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 43.3 t -67.82 -10.58 54.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.596 -0.729 . . . . 54.109999999999999 111.187 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.448 ' HA ' ' NE ' ' A' ' 23' ' ' ARG . 5.4 mmp_? -77.94 -10.77 59.75 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.131 0.491 . . . . 74.019999999999996 110.833 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -104.63 -23.01 13.15 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.775 -0.648 . . . . 74.319999999999993 112.062 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.595 ' CD1' ' HA ' ' A' ' 22' ' ' SER . 1.8 pp -113.89 171.58 7.5 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.075 0.464 . . . . 64.439999999999998 111.763 -176.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -75.4 154.3 37.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.567 -0.742 . . . . 73.340000000000003 110.194 176.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.1 mm -61.5 -36.01 70.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.071 -0.513 . . . . 74.319999999999993 110.478 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -63.17 -31.31 80.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.099 -0.572 . . . . 74.109999999999999 112.159 178.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.0 m -73.44 -49.35 27.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.069 0.462 . . . . 71.140000000000001 109.945 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.474 ' HB2' HD11 ' A' ' 25' ' ' LEU . 67.9 t80 -56.56 -51.75 67.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.353 -0.84 . . . . 72.349999999999994 110.815 177.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -65.49 -30.3 71.05 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.363 -0.835 . . . . 70.420000000000002 112.012 -176.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.439 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 8.4 t-80 -62.7 -34.99 78.28 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.08 -0.248 . . . . 74.299999999999997 110.683 -175.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.535 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 53.9 p-80 -151.82 77.58 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.628 0.728 . . . . 71.25 110.997 174.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -95.31 -42.82 8.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.221 0.534 . . . . 71.019999999999996 111.132 177.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.832 ' HB3' ' HB3' ' A' ' 38' ' ' ARG . 14.8 m -77.06 -54.41 6.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.748 -0.66 . . . . 73.099999999999994 111.029 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.535 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 61.8 m 53.95 -86.82 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.532 0.733 . . . . 44.329999999999998 112.128 -178.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -71.18 -36.09 71.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.05 0.452 . . . . 71.230000000000004 109.815 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.832 ' HB3' ' HB3' ' A' ' 35' ' ' SER . 32.7 ttt-85 -63.65 -33.73 76.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.453 -0.794 . . . . 64.109999999999999 109.85 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.48 -44.01 97.85 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 114.737 -1.12 . . . . 75.319999999999993 109.875 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.401 ' CE1' HD21 ' A' ' 68' ' ' LEU . 79.9 t80 -75.14 -44.21 48.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.705 -0.68 . . . . 70.140000000000001 110.426 177.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -153.98 110.81 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.024 0.916 . . . . 64.019999999999996 110.965 -177.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.413 ' H ' ' HG2' ' A' ' 42' ' ' GLU . 8.2 pt-20 -91.17 21.95 4.06 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.88 -1.055 . . . . 73.409999999999997 110.767 177.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -96.72 -165.08 1.22 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.646 -0.706 . . . . 71.549999999999997 109.742 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.843 ' HB2' ' HE1' ' A' ' 10' ' ' PHE . 83.0 m 68.63 98.57 0.06 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.615 0.721 . . . . 75.420000000000002 111.568 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.419 ' HA ' ' OG ' ' A' ' 9' ' ' SER . 3.4 tm-20 -114.71 117.17 30.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.036 -0.984 . . . . 74.319999999999993 109.502 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.8 92.87 1.93 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.767 -0.73 . . . . 55.200000000000003 112.67 -179.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.1 tt -126.52 118.79 25.63 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.371 -0.603 . . . . 71.239999999999995 109.371 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -96.76 -178.12 4.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.431 0.634 . . . . 62.200000000000003 111.758 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -67.02 -31.54 72.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.026 -0.988 . . . . 63.149999999999999 110.975 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -63.42 -32.11 73.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.503 -0.772 . . . . 71.430000000000007 110.603 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -80.34 -46.47 16.05 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.738 -0.665 . . . . 73.200000000000003 110.538 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.24 89.74 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.257 0.551 . . . . 73.420000000000002 109.616 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.7 p -134.74 166.54 22.72 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.862 -0.608 . . . . 53.039999999999999 111.09 -176.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -53.74 -38.83 64.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.928 -0.578 . . . . 62.119999999999997 110.715 176.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -59.33 -41.09 88.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.659 -0.701 . . . . 75.439999999999998 111.297 177.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -63.04 -48.01 80.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 60.219999999999999 110.092 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.45 -42.76 88.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.716 -0.674 . . . . 72.329999999999998 110.72 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.401 ' O ' HG13 ' A' ' 62' ' ' ILE . 31.4 ttt180 -66.31 -46.41 77.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.433 -0.349 . . . . 75.150000000000006 111.407 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.33 -40.38 96.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.853 0.358 . . . . 72.099999999999994 110.827 -176.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -68.54 -32.61 72.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.21 -0.45 . . . . 72.150000000000006 110.163 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.0 tp -65.33 -48.35 73.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.54 . . . . 74.329999999999998 110.559 175.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 58' ' ' ARG . 67.6 mt -60.18 -46.46 94.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.812 -0.631 . . . . 73.5 110.259 176.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -57.17 -40.44 77.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.349 0.595 . . . . 64.340000000000003 110.168 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.701 ' HG2' ' HB2' ' A' ' 75' ' ' ALA . 19.0 tpp -60.04 -42.62 94.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.4 -0.818 . . . . 62.229999999999997 110.963 178.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.547 ' O ' ' HA ' ' A' ' 69' ' ' CYS . 12.6 tmtt? -80.26 -38.92 29.97 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.82 -0.627 . . . . 74.540000000000006 110.698 -175.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -77.9 -65.38 0.98 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.231 -0.44 . . . . 74.239999999999995 111.685 -176.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.6 m -79.59 -45.1 19.8 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.014 -0.539 . . . . 71.420000000000002 111.653 -170.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.401 HD21 ' CE1' ' A' ' 40' ' ' PHE . 92.9 mt -85.62 -21.96 28.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.243 -0.435 . . . . 74.230000000000004 110.755 -178.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 50.8 m 59.81 77.79 0.3 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.739 -0.664 . . . . 62.109999999999999 111.537 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.438 ' H ' ' HA ' ' A' ' 65' ' ' LYS . 51.3 m-80 -142.12 157.4 44.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 73.430000000000007 109.95 178.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.46 168.2 19.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.353 -0.385 . . . . 72.510000000000005 110.459 177.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -62.11 -30.75 71.23 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.556 -0.293 . . . . 73.439999999999998 110.436 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.651 ' O ' ' HD3' ' A' ' 77' ' ' ARG . 8.4 m -57.03 -55.07 39.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.329 . . . . 62.109999999999999 110.465 178.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.2 m -62.96 -40.76 98.69 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.121 -0.49 . . . . 55.350000000000001 110.954 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.701 ' HB2' ' HG2' ' A' ' 64' ' ' MET . . . -65.93 -42.43 90.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.684 -0.689 . . . . 71.230000000000004 111.763 -177.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.433 ' HA ' ' OE1' ' A' ' 76' ' ' GLN . 12.8 mm-40 -63.16 -31.42 72.56 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 116.416 -0.356 . . . . 64.530000000000001 111.528 -177.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.651 ' HD3' ' O ' ' A' ' 73' ' ' SER . 11.6 mpt_? -60.16 -43.44 95.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.914 0.387 . . . . 74.209999999999994 110.367 174.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -67.29 -51.01 57.95 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.032 -0.531 . . . . 73.109999999999999 110.452 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.45 -33.4 74.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.52 -0.764 . . . . 41.409999999999997 111.256 -178.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.62 ' O ' HG13 ' A' ' 84' ' ' ILE . 16.1 t -66.5 -33.64 76.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.537 -0.301 . . . . 73.109999999999999 110.414 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.1 m -62.79 -41.83 99.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.365 0.602 . . . . 73.230000000000004 109.695 176.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.532 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 91.2 mt -65.27 -43.29 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.603 -0.726 . . . . 71.420000000000002 110.019 173.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.515 ' O ' ' HB2' ' A' ' 87' ' ' SER . 10.8 tmtt? -57.24 -33.92 68.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.097 -0.956 . . . . 72.430000000000007 110.939 -178.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.62 HG13 ' O ' ' A' ' 80' ' ' SER . 84.5 mt -61.02 -54.83 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 111.564 0.209 . . . . 75.409999999999997 111.564 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.532 ' CE2' ' HA ' ' A' ' 82' ' ' ILE . 14.4 p90 -73.96 -28.97 61.75 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 120.369 -0.532 . . . . 72.299999999999997 110.74 -173.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.545 ' O ' HG13 ' A' ' 90' ' ' ILE . 98.0 t -72.81 -40.7 61.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.27 -0.423 . . . . 44.310000000000002 110.299 176.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.515 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 0.6 OUTLIER -58.46 -36.55 73.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.051 -0.522 . . . . 73.310000000000002 111.828 -178.548 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.46 -44.41 76.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.061 0.458 . . . . 75.230000000000004 110.044 175.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.579 ' HA ' ' HA3' ' A' ' 93' ' ' GLY . . . -72.63 -22.96 60.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.408 -0.815 . . . . 61.5 111.338 178.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.757 HD13 ' HA ' ' A' ' 98' ' ' ASP . 81.0 mt -78.45 -45.2 26.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.152 0.501 . . . . 71.319999999999993 111.278 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.408 ' HD3' ' O ' ' A' ' 87' ' ' SER . 4.0 mptp? -78.56 -41.06 33.03 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.129 -0.487 . . . . 61.299999999999997 110.417 -174.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -149.82 71.13 1.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.46 0.648 . . . . 64.109999999999999 110.435 175.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.579 ' HA3' ' HA ' ' A' ' 89' ' ' ALA . . . -151.0 -90.37 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.361 -0.836 . . . . 64.129999999999995 112.795 175.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -143.88 -33.97 0.4 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.055 0.455 . . . . 73.25 110.854 -174.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.681 ' HB2' ' HA ' ' A' ' 90' ' ' ILE . 96.9 mmm -68.37 127.93 34.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.92 -0.582 . . . . 75.299999999999997 110.505 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.24 -48.02 45.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.087 -0.506 . . . . 64.510000000000005 111.374 -175.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -137.36 161.38 36.43 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.652 -0.499 . . . . 74.420000000000002 109.652 -175.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.757 ' HA ' HD13 ' A' ' 90' ' ' ILE . 4.0 m-20 -73.94 140.98 77.85 Favored Pre-proline 0 C--N 1.322 -0.605 0 O-C-N 123.481 0.488 . . . . 60.399999999999999 109.927 178.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 3.7 Cg_exo -78.79 -22.67 8.77 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.91 2.407 . . . . 74.019999999999996 113.552 -176.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.438 ' CD1' ' HB3' ' A' ' 98' ' ' ASP . 7.6 p90 -78.91 -9.07 59.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.114 0.483 . . . . 63.340000000000003 111.077 -175.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.8 -41.1 56.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.006 -0.997 . . . . 75.430000000000007 112.201 -177.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -106.81 -38.94 5.94 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.733 -0.387 . . . . 51.409999999999997 110.543 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 9.9 t80 . . . . . 0 N--CA 1.471 0.579 0 CA-C-N 114.962 -1.017 . . . . 71.450000000000003 112.41 174.498 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.515 ' CE1' ' HA ' ' A' ' 13' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.451 -0.419 0 CA-C-O 121.1 0.476 . . . . 71.349999999999994 110.443 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.8 ' HE3' ' HB3' ' A' ' 45' ' ' GLU . 60.3 pttt -99.96 -10.69 21.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.545 -0.752 . . . . 70.109999999999999 110.983 -177.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.808 ' HB3' ' HA ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -83.77 142.87 30.37 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.934 -1.03 . . . . 75.450000000000003 111.579 -175.435 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.493 ' O ' HG23 ' A' ' 14' ' ' VAL . 31.9 m-85 -66.7 -49.78 64.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.074 -0.512 . . . . 70.430000000000007 112.073 -177.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -68.18 -22.39 64.83 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.214 0.53 . . . . 73.439999999999998 110.182 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.8 -44.38 20.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.207 -0.906 . . . . 73.310000000000002 110.697 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.515 ' HA ' ' CE1' ' A' ' 7' ' ' PHE . 37.2 t80 -65.54 -44.86 85.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.865 -0.607 . . . . 75.439999999999998 110.609 179.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 10' ' ' PHE . 71.0 t -57.82 -37.03 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 116.21 -0.45 . . . . 75.239999999999995 111.283 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.49 -35.11 76.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.96 0.409 . . . . 63.100000000000001 111.187 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 t -83.43 -36.14 24.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.235 -0.439 . . . . 74.209999999999994 110.234 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -63.54 -41.74 98.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.444 -0.343 . . . . 72.140000000000001 110.488 179.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.686 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 41.1 ttm -61.7 -46.82 88.06 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.599 -0.519 . . . . 70.340000000000003 109.599 176.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -54.36 -36.92 64.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.342 -0.845 . . . . 73.219999999999999 111.028 177.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 50.7 m -55.6 -49.67 72.16 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.845 -0.616 . . . . 55.299999999999997 111.844 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.69 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 29.2 p90 -88.65 -13.26 40.24 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 120.423 -0.511 . . . . 73.209999999999994 110.946 -179.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.9 m -68.72 -8.86 46.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.798 0.332 . . . . 72.120000000000005 111.144 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -61.87 -22.17 65.31 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.43 -0.35 . . . . 74.340000000000003 111.187 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.69 ' HG2' ' O ' ' A' ' 21' ' ' TYR . 16.8 ptm180 -95.72 4.86 52.6 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.18 0.514 . . . . 73.510000000000005 110.431 177.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.435 HD12 ' HG3' ' A' ' 24' ' ' ARG . 10.3 mp -111.8 172.07 7.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.706 -0.679 . . . . 75.439999999999998 109.934 178.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -80.65 156.44 26.36 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.696 -0.853 . . . . 75.510000000000005 108.696 167.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.42 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 47.8 mt -66.5 -31.42 53.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.808 -0.441 . . . . 73.230000000000004 109.808 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.456 ' HA2' ' HG2' ' A' ' 31' ' ' ARG . . . -61.16 -46.85 93.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.13 -0.557 . . . . 61.420000000000002 112.319 176.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.4 m -63.72 -35.97 82.33 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.483 0.659 . . . . 74.420000000000002 110.022 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -68.21 -53.81 22.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.232 -0.895 . . . . 74.439999999999998 111.374 177.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.885 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 9.5 ptm85 -63.71 -19.91 65.31 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 111.966 0.358 . . . . 64.349999999999994 111.966 -174.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -69.68 -22.06 63.46 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.971 0.415 . . . . 72.439999999999998 111.045 176.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -98.35 -26.3 14.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.147 0.975 . . . . 61.350000000000001 108.916 172.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.885 ' HB3' ' HA ' ' A' ' 31' ' ' ARG . 1.1 tmtp? -80.58 -21.1 41.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.042 -1.435 . . . . 71.129999999999995 110.989 -173.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 p -64.17 -38.66 91.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.329 -0.396 . . . . 71.010000000000005 110.835 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.2 m -61.74 -48.89 78.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.975 -0.557 . . . . 64.510000000000005 110.099 175.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 62.1 mtt -59.55 -40.87 88.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.203 -0.908 . . . . 65.310000000000002 111.303 177.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.558 ' HG2' ' HD3' ' A' ' 34' ' ' LYS . 3.9 mmt180 -63.46 -41.5 98.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.551 -0.295 . . . . 74.319999999999993 111.434 178.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -67.88 -46.91 70.33 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.169 -0.469 . . . . 73.239999999999995 111.25 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -68.09 -26.35 65.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.400000000000006 110.117 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt 75.02 125.86 0.04 OUTLIER 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.121 -0.945 . . . . 54.32 112.532 173.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -71.34 141.33 50.43 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.078 -0.965 . . . . 75.329999999999998 109.144 170.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -128.48 -84.05 0.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.106 0.479 . . . . 72.150000000000006 111.096 -174.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 8.7 p -178.55 -34.45 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.159 -0.928 . . . . 52.210000000000001 110.238 -174.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.808 ' HA ' ' HB3' ' A' ' 9' ' ' SER . 11.2 pt-20 -159.43 -171.06 3.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.808 0.337 . . . . 65.319999999999993 110.938 177.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.67 -116.99 0.71 Allowed Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.306 -0.717 . . . . 61.25 111.306 -178.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.451 HD22 ' C ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -98.88 159.5 14.92 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.873 0.368 . . . . 71.209999999999994 110.131 177.447 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -120.22 -176.76 3.28 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.923 -0.58 . . . . 75.120000000000005 111.144 -174.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -60.6 -30.2 69.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.325 -0.852 . . . . 60.409999999999997 111.051 -178.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -58.83 -28.59 66.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.038 -0.983 . . . . 73.239999999999995 111.096 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -104.35 -11.03 17.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.561 -0.29 . . . . 74.030000000000001 111.12 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.405 HD21 HG21 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -71.97 86.74 1.01 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.343 -0.614 . . . . 60.130000000000003 109.343 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.41 ' O ' HD23 ' A' ' 57' ' ' LEU . 6.5 p -141.73 -178.06 5.48 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.713 -0.676 . . . . 52.340000000000003 111.082 -173.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.711 ' HG3' ' HA ' ' A' ' 103' ' ' PHE . 1.0 OUTLIER -50.17 -49.26 52.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.917 -0.583 . . . . 72.109999999999999 111.112 177.619 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.31 -33.67 75.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.788 -0.642 . . . . 75.120000000000005 111.27 -176.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.43 ' CE1' ' HG ' ' A' ' 47' ' ' LEU . 77.4 t80 -67.65 -51.6 48.08 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.181 -0.303 . . . . 73.519999999999996 110.181 178.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 53' ' ' THR . 4.5 mm? -59.29 -43.42 92.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.043 -0.526 . . . . 65.230000000000004 110.452 179.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.61 -46.07 91.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.689 -0.687 . . . . 75.540000000000006 111.137 178.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -69.3 -41.85 76.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 50.329999999999998 111.375 -178.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -69.85 -31.16 68.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.23 -0.441 . . . . 64.430000000000007 110.27 -177.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.0 tp -58.13 -52.54 65.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 60.5 109.802 173.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.0 mt -60.49 -49.15 85.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.42 -0.809 . . . . 75.319999999999993 110.965 179.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -56.25 -43.0 78.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.138 0.494 . . . . 72.319999999999993 110.884 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.454 ' O ' ' HB2' ' A' ' 68' ' ' LEU . 8.8 ttp -71.91 -42.07 67.17 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.04 0.448 . . . . 74.310000000000002 111.515 -178.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 2.9 tmtp? -69.48 -42.74 74.43 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.079 -0.51 . . . . 63.030000000000001 110.586 -178.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -90.84 -64.48 1.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.02 0.378 . . . . 73.239999999999995 112.02 -175.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.8 m -70.2 -41.94 73.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.933 0.396 . . . . 72.219999999999999 111.613 -173.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 64' ' ' MET . 79.2 mt -83.95 -11.41 56.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.43 -0.35 . . . . 74.310000000000002 110.072 178.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 73.4 m 58.11 38.85 26.51 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.717 -0.674 . . . . 71.349999999999994 111.761 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.483 ' O ' ' HA ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -100.36 160.2 14.52 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.798 -0.445 . . . . 74.25 109.798 175.442 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.28 161.58 21.41 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.12 -0.326 . . . . 61.420000000000002 110.12 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.12 -34.65 78.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.143 0.497 . . . . 73.040000000000006 110.063 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m -59.89 -34.62 73.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.39 -0.823 . . . . 73.349999999999994 110.091 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -81.88 -39.73 23.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.624 -0.716 . . . . 63.43 110.322 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.4 95.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.439 -0.801 . . . . 54.240000000000002 111.606 -178.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -56.18 -37.31 69.42 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.293 -0.412 . . . . 75.150000000000006 111.446 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 77' ' ' ARG . 5.0 mpt_? -63.57 -46.2 86.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.69 0.281 . . . . 72.439999999999998 110.816 177.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -71.54 -37.94 71.08 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.231 -0.441 . . . . 74.040000000000006 111.078 -176.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.55 -33.83 76.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.007 0.432 . . . . 72.030000000000001 110.666 177.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.636 ' O ' HG12 ' A' ' 84' ' ' ILE . 58.1 m -70.78 -19.69 62.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.973 -0.558 . . . . 62.229999999999997 112.274 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 71.4 p -62.71 -56.16 20.21 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.939 0.4 . . . . 74.310000000000002 110.727 -177.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.405 HG21 HD21 ' A' ' 52' ' ' LEU . 60.9 mt -64.81 -34.74 72.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.898 -0.592 . . . . 74.310000000000002 110.057 177.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 87' ' ' SER . 14.7 tmtt? -59.81 -34.52 73.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.39 -0.823 . . . . 63.229999999999997 111.127 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.636 HG12 ' O ' ' A' ' 80' ' ' SER . 46.0 mm -59.81 -44.94 95.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.739 0.304 . . . . 35.119999999999997 110.664 177.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -72.7 -42.21 64.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.7 0.286 . . . . 72.209999999999994 110.76 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 90' ' ' ILE . 92.2 t -62.95 -43.35 98.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.954 0.407 . . . . 70.299999999999997 110.317 178.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 2.7 m -63.12 -39.15 93.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.756 -0.657 . . . . 53.32 111.282 177.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.84 -32.07 72.34 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.198 0.523 . . . . 53.539999999999999 110.561 175.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.43 -22.34 64.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.422 -0.808 . . . . 63.549999999999997 111.321 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.65 ' HA ' ' O ' ' A' ' 95' ' ' MET . 67.5 mt -72.69 -36.94 54.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.283 0.563 . . . . 71.319999999999993 110.558 178.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -77.71 -43.15 31.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.667 -0.697 . . . . 73.420000000000002 111.013 -175.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -146.68 65.4 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.226 0.536 . . . . 72.409999999999997 110.172 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -154.83 -102.23 0.2 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.579 -0.82 . . . . 23.34 113.131 176.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -143.51 -43.43 0.28 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.734 0.302 . . . . 74.310000000000002 111.283 -172.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.65 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 98.2 mmm -63.29 110.12 1.79 Allowed 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.847 -0.615 . . . . 72.25 110.456 -175.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -93.14 -39.78 10.85 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.88 -0.6 . . . . 74.310000000000002 109.558 -177.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -114.94 111.42 21.13 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.484 -0.78 . . . . 64.120000000000005 109.889 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.615 ' HB3' HD11 ' A' ' 90' ' ' ILE . 2.4 p-10 -71.46 154.71 93.32 Favored Pre-proline 0 N--CA 1.447 -0.6 0 CA-C-N 115.296 -0.866 . . . . 54.030000000000001 111.517 -174.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 16.2 Cg_exo -68.44 -15.71 42.23 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.995 2.463 . . . . 64.230000000000004 113.465 -176.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.891 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 50.2 p90 -94.59 -16.71 22.99 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.522 -0.471 . . . . 74.200000000000003 111.591 -178.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -72.14 -20.56 61.59 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.038 -0.528 . . . . 70.109999999999999 110.683 171.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -121.94 17.94 10.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.613 0.72 . . . . 73.019999999999996 109.416 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.891 ' HB2' ' HA ' ' A' ' 100' ' ' PHE . 43.2 t80 . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.1 -0.955 . . . . 71.030000000000001 110.474 -174.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.925 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 38.2 m-85 . . . . . 0 N--CA 1.44 -0.929 0 CA-C-O 121.16 0.505 . . . . 43.420000000000002 110.395 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.434 ' HG3' ' OD2' ' A' ' 12' ' ' ASP . 36.2 mttp -61.69 -35.51 78.2 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.016 -0.993 . . . . 64.319999999999993 111.953 -174.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.2 m -165.73 -175.25 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.693 -0.484 . . . . 74.209999999999994 109.693 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.52 ' O ' HG23 ' A' ' 14' ' ' VAL . 30.0 p90 -52.85 -40.99 63.84 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 123.183 0.302 . . . . 72.200000000000003 111.44 178.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -62.18 -27.31 68.88 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.051 0.453 . . . . 75.219999999999999 110.89 -177.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.925 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -79.72 -40.61 28.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.72 -0.673 . . . . 63.32 109.908 -175.189 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.402 ' HD1' ' HB2' ' A' ' 85' ' ' TYR . 26.1 t80 -65.33 -41.87 93.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.573 -0.74 . . . . 74.310000000000002 109.377 176.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 10' ' ' PHE . 79.0 t -56.56 -51.71 62.13 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 CA-C-N 115.544 -0.753 . . . . 75.420000000000002 110.796 178.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -59.06 -34.13 71.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.447 -0.342 . . . . 44.310000000000002 111.52 -176.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.3 t -68.56 -46.09 70.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.342 -0.39 . . . . 42.310000000000002 110.935 -178.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -78.16 -30.5 49.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.041 0.448 . . . . 63.0 110.617 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.467 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 33.4 tpp -60.7 -29.34 69.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.949 -0.569 . . . . 75.239999999999995 110.742 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 30.4 mmtp -58.1 -36.61 73.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 65.129999999999995 110.701 175.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 m -76.41 -27.89 56.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.488 0.661 . . . . 63.420000000000002 110.605 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -86.98 -11.16 51.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.817 -0.629 . . . . 75.120000000000005 110.859 -176.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.451 ' HA ' ' HB2' ' A' ' 25' ' ' LEU . 87.4 p -68.56 -10.09 53.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 64.109999999999999 111.929 -176.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -57.28 -26.68 61.21 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 111.808 0.299 . . . . 73.200000000000003 111.808 -176.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -120.93 29.47 7.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.957 0.408 . . . . 73.019999999999996 110.866 175.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 30' ' ' PHE . 2.6 mp -129.71 124.32 33.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.176 -0.465 . . . . 73.430000000000007 110.97 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -77.07 160.13 29.31 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.83 -0.433 . . . . 54.119999999999997 109.83 173.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.4 mm -55.38 -41.34 61.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 123.242 0.339 . . . . 62.030000000000001 111.737 -176.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.508 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -55.07 -54.88 31.04 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 116.125 -0.489 . . . . 71.340000000000003 112.881 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.1 t -76.68 -29.25 56.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.697 0.284 . . . . 72.540000000000006 110.988 -178.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.487 ' HA ' HD23 ' A' ' 25' ' ' LEU . 91.7 t80 -59.44 -54.44 46.61 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.394 -0.366 . . . . 73.140000000000001 110.587 179.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.63 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 27.5 ptt180 -76.7 -20.39 56.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.323 . . . . 72.540000000000006 110.776 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.508 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 8.2 t60 -57.31 -33.76 68.04 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 116.089 -0.505 . . . . 73.329999999999998 110.979 -177.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -118.09 21.22 12.9 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.307 0.575 . . . . 74.420000000000002 110.091 177.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.63 ' HB3' ' HA ' ' A' ' 31' ' ' ARG . 76.4 tttt -95.13 -43.75 7.96 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.425 -0.807 . . . . 61.43 110.217 179.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.9 p -76.27 -26.93 56.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.47 -0.786 . . . . 64.140000000000001 112.085 -176.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.8 m -53.21 -69.84 0.11 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.442 0.534 . . . . 73.209999999999994 112.442 -174.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -66.3 -25.47 66.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 71.329999999999998 111.415 -177.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -67.73 -51.28 51.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.245 0.545 . . . . 73.219999999999999 110.308 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.439 ' HB3' ' HE2' ' A' ' 39' ' ' LYS . 2.9 tmmm? -66.3 -27.79 68.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.124 -0.944 . . . . 72.409999999999997 110.765 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -77.75 -2.19 35.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.985 -0.552 . . . . 73.219999999999999 111.787 -175.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -74.77 76.95 2.08 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.443 0.639 . . . . 64.430000000000007 110.36 177.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -63.61 -43.49 96.73 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.046 -0.979 . . . . 52.229999999999997 110.122 173.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -137.5 172.36 13.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.474 -0.784 . . . . 73.540000000000006 109.281 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.0 m -84.67 129.36 34.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.833 0.349 . . . . 60.149999999999999 111.045 -177.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -149.88 115.78 5.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.757 -0.656 . . . . 73.299999999999997 109.274 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -81.16 -50.53 5.09 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.755 -0.736 . . . . 75.549999999999997 111.867 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.52 ' HG ' ' HB2' ' A' ' 51' ' ' GLU . 9.7 tt 67.91 109.29 0.05 OUTLIER 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.172 0.589 . . . . 63.439999999999998 110.482 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -82.19 -179.72 7.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.165 -0.47 . . . . 75.219999999999999 110.696 -178.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -62.62 -36.65 83.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.901 -0.591 . . . . 71.340000000000003 112.194 -173.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -79.88 -9.48 59.68 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.691 -0.404 . . . . 73.150000000000006 111.684 -174.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.52 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . 2.3 mp0 -88.02 -20.25 26.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.968 0.413 . . . . 75.019999999999996 110.294 175.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.16 86.76 7.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.399 0.618 . . . . 53.439999999999998 109.434 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.481 ' O ' HD23 ' A' ' 57' ' ' LEU . 39.8 p -126.84 178.48 5.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.827 -0.624 . . . . 65.209999999999994 110.83 -177.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.556 ' OE2' ' HD3' ' A' ' 58' ' ' ARG . 2.4 tm-20 -58.95 -31.8 69.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.806 -0.634 . . . . 73.0 110.193 176.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -62.34 -48.69 78.7 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 115.717 -0.674 . . . . 73.219999999999999 110.704 177.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -61.07 -44.04 97.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.55 -0.296 . . . . 64.519999999999996 110.507 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.562 HD13 HD22 ' A' ' 79' ' ' LEU . 3.9 mm? -58.55 -50.5 73.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.138 -0.483 . . . . 63.149999999999999 111.322 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.556 ' HD3' ' OE2' ' A' ' 54' ' ' GLU . 13.9 ptt180 -73.57 -26.43 60.82 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.609 -0.436 . . . . 73.540000000000006 110.995 -176.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -74.64 -44.19 51.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.722 0.296 . . . . 72.239999999999995 111.037 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -64.18 -31.76 73.08 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.698 -0.482 . . . . 62.539999999999999 109.698 -178.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.3 tp -57.39 -53.28 59.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.477 -0.783 . . . . 75.340000000000003 110.392 173.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 64.5 mt -67.24 -40.97 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.833 -0.621 . . . . 74.310000000000002 110.431 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -54.71 -47.49 73.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.628 -0.715 . . . . 75.519999999999996 110.459 177.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.601 ' HE1' ' HB2' ' A' ' 78' ' ' ASN . 5.2 ttp -71.56 -38.45 70.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.892 -0.595 . . . . 72.299999999999997 111.158 179.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.536 ' HE2' ' HA ' ' A' ' 71' ' ' ALA . 6.1 tmtt? -63.52 -40.55 97.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.996 -0.547 . . . . 64.129999999999995 110.735 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -84.36 -62.9 1.44 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.217 -0.447 . . . . 73.209999999999994 111.751 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.5 m -70.29 -38.26 74.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.207 -0.451 . . . . 71.0 112.017 -174.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.524 ' HB3' HD22 ' A' ' 70' ' ' ASN . 66.1 mt -99.32 -8.02 25.49 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 121.09 -0.244 . . . . 72.409999999999997 111.557 -176.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 61.4 m 65.83 9.64 6.21 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.435 0.531 . . . . 73.409999999999997 112.435 176.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.524 HD22 ' HB3' ' A' ' 68' ' ' LEU . 39.2 m-80 -83.4 149.52 26.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.911 0.386 . . . . 64.510000000000005 111.114 -177.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.536 ' HA ' ' HE2' ' A' ' 65' ' ' LYS . . . -86.58 174.11 9.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.953 -0.567 . . . . 70.099999999999994 111.044 -177.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -56.55 -36.92 69.84 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.205 -0.452 . . . . 65.010000000000005 111.18 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.9 p -54.72 -51.19 66.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.054 -0.521 . . . . 62.399999999999999 111.247 -178.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.8 m -69.47 -46.11 67.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.985 -0.552 . . . . 71.329999999999998 110.32 177.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.21 -40.66 77.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.81 -0.632 . . . . 74.129999999999995 112.302 -176.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -62.36 -33.27 74.41 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 120.724 0.297 . . . . 73.319999999999993 111.289 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 77' ' ' ARG . 58.7 mtt180 -69.3 -38.96 78.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.135 0.493 . . . . 71.219999999999999 110.539 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.601 ' HB2' ' HE1' ' A' ' 64' ' ' MET . 18.3 m120 -67.48 -46.76 72.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.768 -0.651 . . . . 43.420000000000002 110.369 176.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.562 HD22 HD13 ' A' ' 57' ' ' LEU . 96.0 mt -63.9 -34.72 78.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.964 -0.562 . . . . 71.010000000000005 110.571 178.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.664 ' O ' HG12 ' A' ' 84' ' ' ILE . 23.2 t -62.22 -37.35 85.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 63.149999999999999 110.139 176.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.5 m -68.23 -36.87 80.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.182 -0.463 . . . . 64.420000000000002 110.347 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 89.2 mt -65.61 -49.69 76.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.879 -0.6 . . . . 73.019999999999996 110.688 176.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.613 ' HG3' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -60.27 -27.98 67.7 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-O 119.425 -0.322 . . . . 75.319999999999993 111.394 -179.528 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.664 HG12 ' O ' ' A' ' 80' ' ' SER . 37.3 mm -57.1 -54.95 23.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 117.841 0.291 . . . . 72.400000000000006 111.255 174.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.402 ' HB2' ' HD1' ' A' ' 13' ' ' PHE . 2.2 p90 -73.69 -33.19 64.3 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 120.662 -0.415 . . . . 61.020000000000003 110.485 -175.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.526 ' O ' HG13 ' A' ' 90' ' ' ILE . 92.7 t -65.53 -41.71 91.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.17 0.51 . . . . 64.409999999999997 110.033 175.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 m -63.08 -29.14 70.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.503 -0.771 . . . . 54.530000000000001 111.374 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.2 -34.41 77.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.195 0.521 . . . . 74.150000000000006 110.164 174.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.62 -23.43 49.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.56 -0.745 . . . . 63.32 110.669 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 86' ' ' VAL . 51.1 mt -81.78 -30.94 10.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.218 0.532 . . . . 72.209999999999994 110.122 175.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -64.84 -45.88 84.26 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.67 -0.696 . . . . 73.219999999999999 110.661 -177.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -167.72 68.98 0.09 Allowed 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.469 0.652 . . . . 70.530000000000001 109.74 172.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -130.76 -85.2 0.34 Allowed Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.361 -0.836 . . . . 74.219999999999999 111.627 176.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -160.08 -19.26 0.06 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.047 -0.261 . . . . 75.129999999999995 111.335 -177.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.406 ' HB2' ' HA ' ' A' ' 90' ' ' ILE . 97.4 mmm -56.8 135.06 55.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.065 0.46 . . . . 74.340000000000003 111.259 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -86.71 -46.3 10.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.75 -0.659 . . . . 74.109999999999999 110.66 -178.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -135.17 164.95 26.52 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.657 -0.702 . . . . 75.109999999999999 109.433 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.645 ' OD2' ' HB2' ' A' ' 101' ' ' LYS . 5.1 p-10 -96.1 144.48 27.9 Favored Pre-proline 0 C--N 1.318 -0.794 0 N-CA-C 109.923 -0.399 . . . . 71.329999999999998 109.923 177.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -77.08 -18.42 14.46 Favored 'Trans proline' 0 CA--C 1.529 0.275 0 C-N-CA 122.54 2.16 . . . . 63.43 113.199 -176.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -85.59 -13.88 47.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.221 0.534 . . . . 74.319999999999993 111.443 -176.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.645 ' HB2' ' OD2' ' A' ' 98' ' ' ASP . 1.5 tmmt? -72.13 -33.94 68.18 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.599 -0.728 . . . . 65.140000000000001 109.854 174.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -90.84 -4.01 56.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.761 -0.654 . . . . 74.200000000000003 111.371 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 35.7 t80 . . . . . 0 C--N 1.327 -0.399 0 CA-C-O 121.329 0.585 . . . . 72.230000000000004 111.511 -172.04 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.688 ' HA ' ' CB ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.445 -0.688 0 CA-C-O 122.263 1.03 . . . . 74.120000000000005 113.232 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 mttp -106.61 -23.92 12.31 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 113.289 -1.778 . . . . 75.340000000000003 108.49 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 m -135.95 174.22 10.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.683 -1.144 . . . . 72.299999999999997 110.387 -178.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.512 ' O ' HG23 ' A' ' 14' ' ' VAL . 41.8 p90 -58.63 -38.8 78.84 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.333 -0.394 . . . . 74.400000000000006 111.673 -178.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.481 ' HD2' ' SD ' ' A' ' 37' ' ' MET . 2.7 t-80 -56.01 -40.7 73.77 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.258 0.552 . . . . 72.040000000000006 110.847 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.688 ' CB ' ' HA ' ' A' ' 7' ' ' PHE . 6.9 m-20 -73.63 -42.09 61.91 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.216 -0.902 . . . . 71.129999999999995 110.266 -171.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.414 ' N ' ' HB3' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -65.56 -41.94 92.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.452 -0.795 . . . . 74.230000000000004 110.416 -179.494 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 10' ' ' PHE . 88.5 t -60.29 -40.04 82.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.241 -0.436 . . . . 72.450000000000003 110.355 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.59 ' O ' ' HG3' ' A' ' 19' ' ' LYS . . . -63.19 -39.22 94.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.7 -0.682 . . . . 34.409999999999997 111.319 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.6 t -57.29 -42.36 81.54 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.87 0.367 . . . . 75.219999999999999 110.561 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -76.78 -44.36 33.12 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.161 -0.472 . . . . 73.409999999999997 110.793 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.467 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 41.1 ttm -64.6 -28.73 69.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.961 -0.563 . . . . 72.140000000000001 111.705 -175.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.59 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 96.6 mttt -48.62 -54.76 13.37 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.985 0.421 . . . . 71.5 110.952 175.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.5 m -76.28 -31.67 58.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.343 0.592 . . . . 73.349999999999994 110.745 -179.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.467 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 22.0 t80 -76.44 -12.73 60.09 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.568 -0.742 . . . . 73.230000000000004 111.718 -173.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.7 p -62.99 -18.35 63.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.541 -0.299 . . . . 65.230000000000004 111.214 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 -60.99 -29.04 69.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.38 . . . . 73.420000000000002 110.817 176.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.0 mtp85 -104.75 9.84 34.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.043 -0.526 . . . . 64.439999999999998 110.81 -177.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 mp -114.77 125.63 53.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.123 -0.489 . . . . 73.120000000000005 110.377 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.28 152.71 28.4 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 109.418 -0.586 . . . . 52.340000000000003 109.418 173.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.0 mm -62.36 -36.04 72.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 116.334 -0.394 . . . . 53.450000000000003 110.221 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.45 -55.29 30.43 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 116.122 -0.49 . . . . 61.310000000000002 113.075 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.5 t -64.02 -41.32 97.47 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 117.217 0.508 . . . . 53.409999999999997 111.0 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.34 -43.33 99.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.247 0.546 . . . . 62.520000000000003 110.749 178.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.586 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 56.1 ttt180 -72.93 -32.84 65.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.695 -0.684 . . . . 70.530000000000001 111.809 -174.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -51.25 -44.2 61.69 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.955 0.407 . . . . 75.120000000000005 111.886 -177.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.515 ' CE1' ' HA ' ' A' ' 78' ' ' ASN . 6.3 t-80 -119.94 19.94 12.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.202 0.525 . . . . 75.420000000000002 110.311 -174.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.586 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 9.1 tmtt? -61.36 -68.91 0.27 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.032 -0.985 . . . . 73.5 111.598 -174.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.1 m -66.92 -35.41 79.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.015 -0.538 . . . . 74.340000000000003 111.031 -176.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 83.9 m -55.15 -53.67 52.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.423 -0.808 . . . . 44.219999999999999 111.816 -177.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.481 ' SD ' ' HD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -54.7 -38.39 66.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.823 -0.626 . . . . 72.450000000000003 111.35 -176.669 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -76.54 -51.62 11.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.063 0.458 . . . . 71.010000000000005 110.821 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.559 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.3 OUTLIER -61.04 -36.58 79.94 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.038 -0.983 . . . . 75.530000000000001 111.01 -176.24 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.455 ' HZ ' ' HG3' ' A' ' 64' ' ' MET . 45.8 t80 -66.93 -18.36 65.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.156 -0.474 . . . . 72.140000000000001 111.851 -174.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.693 ' HE2' ' HD1' ' A' ' 43' ' ' TYR . 84.0 tttt -75.73 82.55 2.7 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.488 0.661 . . . . 73.430000000000007 110.561 -177.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -76.29 -3.25 35.63 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.017 -0.992 . . . . 61.039999999999999 110.864 174.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.693 ' HD1' ' HE2' ' A' ' 41' ' ' LYS . 10.9 t80 66.68 22.25 10.45 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.677 -0.692 . . . . 74.530000000000001 110.956 176.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.2 m -67.12 -31.84 72.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.022 -0.535 . . . . 53.100000000000001 111.01 178.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -144.48 139.8 28.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.801 0.334 . . . . 74.319999999999993 110.604 -177.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.75 56.87 0.71 Allowed Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.305 -0.718 . . . . 64.030000000000001 111.305 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.435 ' HG ' ' CZ ' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -68.98 163.1 25.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.84 0.352 . . . . 60.310000000000002 111.504 -179.204 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -102.62 163.7 12.07 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.965 -0.562 . . . . 32.310000000000002 110.783 -175.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -74.39 -19.35 60.46 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.868 0.692 . . . . 60.119999999999997 112.868 -168.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -77.84 -17.88 56.91 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.232 -0.587 . . . . 70.319999999999993 109.517 176.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -91.6 -8.12 48.22 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.75 -0.659 . . . . 74.310000000000002 109.73 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.426 ' CD1' ' HG3' ' A' ' 99' ' ' PRO . 1.6 tm? -74.32 90.93 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.264 -0.88 . . . . 72.310000000000002 109.332 -179.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.466 ' O ' HD23 ' A' ' 57' ' ' LEU . 21.6 p -126.7 175.0 8.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.94 -0.573 . . . . 71.120000000000005 111.496 -174.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.561 ' H ' ' CD ' ' A' ' 54' ' ' GLU . 4.1 mp0 -53.47 -43.82 68.45 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 115.978 -0.555 . . . . 72.219999999999999 110.227 178.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -57.13 -49.0 77.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.213 -0.903 . . . . 75.219999999999999 111.077 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.435 ' CZ ' ' HG ' ' A' ' 47' ' ' LEU . 64.2 t80 -62.0 -47.11 86.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 64.439999999999998 110.309 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 53' ' ' THR . 4.0 mm? -57.65 -44.63 85.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.47 -0.332 . . . . 73.400000000000006 111.468 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -63.24 -47.15 83.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.425 . . . . 74.299999999999997 111.002 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -73.07 -40.08 65.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.857 0.36 . . . . 71.299999999999997 111.087 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -67.34 -32.48 73.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.211 -0.45 . . . . 72.319999999999993 110.543 -177.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.8 tp -55.19 -51.36 66.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.24 0.543 . . . . 64.329999999999998 110.034 174.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 47.9 mm -67.02 -48.1 80.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.446 -0.797 . . . . 60.399999999999999 110.472 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -55.61 -44.57 77.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.769 -0.651 . . . . 75.329999999999998 111.14 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.491 ' HA ' HD12 ' A' ' 68' ' ' LEU . 15.4 ttp -65.68 -48.42 72.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.859 -0.61 . . . . 75.230000000000004 111.683 -178.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.629 ' HA ' ' HB2' ' A' ' 70' ' ' ASN . 15.7 pttt -75.53 -29.61 59.5 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.688 -0.405 . . . . 73.420000000000002 111.793 -176.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -93.82 -64.34 1.09 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.839 0.352 . . . . 73.329999999999998 111.693 -176.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 m -72.35 -32.78 66.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.32 -0.4 . . . . 43.340000000000003 111.517 -172.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 64' ' ' MET . 86.9 mt -96.23 -1.1 48.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.37 -0.377 . . . . 64.519999999999996 110.843 -179.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.1 t 62.4 84.09 0.15 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.658 -0.701 . . . . 52.43 111.847 177.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.629 ' HB2' ' HA ' ' A' ' 65' ' ' LYS . 49.6 m-80 -146.35 178.82 7.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 74.040000000000006 109.836 178.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -114.7 173.4 6.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.32 -0.4 . . . . 64.219999999999999 109.981 177.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -58.92 -48.81 80.14 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.375 0.422 . . . . 64.409999999999997 110.899 -177.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.491 ' O ' ' HG3' ' A' ' 77' ' ' ARG . 40.5 t -58.02 -49.75 75.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.058 -0.519 . . . . 75.430000000000007 110.587 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.5 m -56.41 -46.87 79.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.024 0.44 . . . . 74.239999999999995 110.729 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.65 -46.79 86.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.659 -0.7 . . . . 71.420000000000002 111.644 -177.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -63.15 -40.31 97.2 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 120.912 0.387 . . . . 71.109999999999999 111.368 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' ' 73' ' ' SER . 66.8 mtt-85 -66.75 -35.08 79.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.127 0.489 . . . . 74.099999999999994 110.896 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.515 ' HA ' ' CE1' ' A' ' 33' ' ' HIS . 96.8 m-20 -63.48 -51.18 66.67 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.828 -0.624 . . . . 72.230000000000004 111.034 174.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.39 -34.88 76.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.857 -0.611 . . . . 73.510000000000005 112.363 -175.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.544 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 11.8 p -66.26 -18.66 65.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.754 0.311 . . . . 74.519999999999996 111.721 -177.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.3 m -75.42 -33.88 60.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.102 0.477 . . . . 71.140000000000001 110.359 174.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 55.7 mt -69.65 -41.92 80.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.619 . . . . 64.239999999999995 110.746 -178.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -59.33 -28.91 67.24 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.264 -0.425 . . . . 75.25 111.629 -177.895 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 63.3 mt -60.09 -48.45 87.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.772 -0.371 . . . . 64.109999999999999 110.095 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -73.31 -39.83 64.98 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 120.468 -0.493 . . . . 74.099999999999994 110.686 177.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.493 HG13 ' SD ' ' A' ' 95' ' ' MET . 53.4 t -56.79 -45.09 82.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.411 0.624 . . . . 44.009999999999998 110.322 177.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.435 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 1.3 m -62.34 -36.17 81.38 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.066 -0.97 . . . . 45.340000000000003 111.319 176.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.38 -30.72 60.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.391 . . . . 54.219999999999999 111.136 176.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.63 -22.91 66.11 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.996 -0.547 . . . . 70.310000000000002 111.119 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.619 ' HA ' ' O ' ' A' ' 95' ' ' MET . 78.0 mt -75.54 -30.46 22.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.286 0.565 . . . . 73.409999999999997 110.146 175.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -78.29 -45.21 23.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.816 -0.629 . . . . 65.109999999999999 111.004 -177.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -153.41 66.58 0.76 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.47 0.653 . . . . 75.340000000000003 110.709 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -145.19 -90.62 0.11 Allowed Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.362 -0.923 . . . . 20.539999999999999 112.311 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -163.85 -29.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.778 0.323 . . . . 74.510000000000005 110.844 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.619 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 89.1 mtp -78.62 153.71 30.85 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 116.379 -0.373 . . . . 63.539999999999999 110.272 -178.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -122.36 -41.96 2.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.212 0.53 . . . . 74.340000000000003 110.271 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -118.0 123.09 44.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.857 -0.61 . . . . 71.549999999999997 109.852 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 101' ' ' LYS . 5.2 p-10 -78.82 149.14 73.68 Favored Pre-proline 0 N--CA 1.448 -0.534 0 CA-C-N 116.297 -0.41 . . . . 72.340000000000003 110.185 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.426 ' HG3' ' CD1' ' A' ' 52' ' ' LEU . 31.5 Cg_endo -62.94 -21.21 73.03 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 123.06 2.507 . . . . 63.140000000000001 112.718 -178.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.462 ' HA ' ' HB3' ' A' ' 103' ' ' PHE . 81.1 m-85 -83.3 -0.38 49.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.128 -0.487 . . . . 72.409999999999997 111.424 -177.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -57.47 -51.22 70.33 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.949 -0.569 . . . . 52.329999999999998 110.272 175.545 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -98.51 -24.56 15.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.773 -0.649 . . . . 72.120000000000005 110.822 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.462 ' HB3' ' HA ' ' A' ' 100' ' ' PHE . 56.6 t80 . . . . . 0 C--N 1.32 -0.683 0 CA-C-N 115.697 -0.683 . . . . 73.329999999999998 110.353 -177.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.471 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 63.7 m-85 . . . . . 0 N--CA 1.442 -0.831 0 CA-C-O 120.751 0.31 . . . . 75.230000000000004 110.576 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.477 ' HB2' ' HZ2' ' A' ' 8' ' ' LYS . 10.5 mtmp? -55.57 -47.8 75.83 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.234 -0.894 . . . . 75.239999999999995 111.848 -177.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.7 p -161.36 -169.18 2.22 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.065 -0.346 . . . . 71.310000000000002 110.065 -174.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.647 ' O ' HG23 ' A' ' 14' ' ' VAL . 24.8 p90 -57.72 -38.64 75.64 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 116.254 -0.43 . . . . 74.450000000000003 109.983 174.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -62.55 -38.45 90.08 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.087 0.47 . . . . 61.539999999999999 110.632 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.471 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 17.0 t0 -77.08 -33.79 57.05 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.601 -0.727 . . . . 53.409999999999997 109.793 -178.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -67.86 -38.53 83.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.452 -0.795 . . . . 75.510000000000005 110.014 175.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.768 HG22 ' HB2' ' A' ' 85' ' ' TYR . 53.1 t -54.75 -43.55 67.19 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 CA-C-N 116.091 -0.504 . . . . 73.239999999999995 110.388 176.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.2 -33.89 71.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 31.32 111.185 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.7 t -68.29 -46.21 70.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.239 -0.437 . . . . 72.129999999999995 110.919 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -78.09 -33.04 50.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 75.140000000000001 110.764 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.706 ' HG3' ' CE2' ' A' ' 21' ' ' TYR . 31.6 ttm -58.51 -31.36 67.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 63.240000000000002 110.366 179.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -49.94 -35.76 25.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.391 -0.822 . . . . 55.240000000000002 110.914 176.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 47.4 m -66.67 -57.74 6.56 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.223 0.453 . . . . 54.009999999999998 112.223 -176.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.706 ' CE2' ' HG3' ' A' ' 18' ' ' MET . 7.7 p90 -77.08 -22.49 52.73 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.667 -0.413 . . . . 64.310000000000002 111.367 -174.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.409 ' HA ' ' HB2' ' A' ' 25' ' ' LEU . 50.4 m -68.16 -10.41 54.0 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.913 0.387 . . . . 72.430000000000007 110.699 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -54.71 -35.1 63.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.71 -0.677 . . . . 72.310000000000002 111.062 176.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -114.07 18.25 17.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.221 0.534 . . . . 61.539999999999999 110.989 -177.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 22' ' ' SER . 13.3 tp -97.06 131.48 43.81 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.335 -0.617 . . . . 71.109999999999999 109.335 179.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.532 ' HG3' ' H ' ' A' ' 29' ' ' THR . 12.7 pt-20 -59.92 148.12 36.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.329 -0.396 . . . . 75.230000000000004 110.231 177.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.6 mm -62.42 -32.47 55.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.714 -0.675 . . . . 64.340000000000003 110.532 -176.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -57.0 -58.06 16.54 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.746 -0.661 . . . . 75.109999999999999 112.824 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.532 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 7.1 t -75.52 -34.93 60.83 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.946 0.373 . . . . 52.329999999999998 111.109 -176.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -53.98 -48.84 69.93 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 120.941 0.401 . . . . 52.210000000000001 110.898 174.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 31' ' ' ARG . 23.9 ttt180 -75.15 -30.13 60.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.093 -0.503 . . . . 75.140000000000001 110.636 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 79.8 t60 -67.4 -12.45 60.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.594 -0.73 . . . . 74.340000000000003 111.703 -175.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -113.86 5.13 16.14 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.349 -0.54 . . . . 74.409999999999997 111.437 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -68.22 -55.13 13.33 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.579 0.228 . . . . 72.230000000000004 111.577 -178.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.9 m -64.8 -28.62 69.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.031 0.443 . . . . 51.119999999999997 110.919 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.9 m -67.07 -48.07 69.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.814 -0.63 . . . . 65.530000000000001 111.046 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.62 ' HG2' HG21 ' A' ' 81' ' ' THR . 91.8 mtp -62.76 -26.81 68.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.101 -0.5 . . . . 63.219999999999999 111.741 178.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.487 ' HA ' ' HD2' ' A' ' 38' ' ' ARG . 2.7 tpt180 -73.51 -44.08 58.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.149 0.425 . . . . 73.140000000000001 112.149 -172.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -6.89 2.55 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.857 1.058 . . . . 62.409999999999997 113.857 -171.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.416 ' CZ ' ' HZ ' ' A' ' 10' ' ' PHE . 78.4 t80 -61.35 -32.32 72.22 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.339 -0.615 . . . . 72.450000000000003 109.339 174.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt 60.35 87.87 0.08 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 114.868 -1.06 . . . . 74.150000000000006 112.039 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -121.66 145.96 47.48 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 109.564 -0.532 . . . . 74.319999999999993 109.564 170.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -157.91 -37.43 0.07 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.021 -0.536 . . . . 65.450000000000003 110.997 -172.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 76.4 m -128.45 130.02 46.96 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.216 -0.661 . . . . 75.510000000000005 109.216 175.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 59.42 -155.86 0.35 Allowed 'General case' 0 CA--C 1.531 0.218 0 O-C-N 123.685 0.616 . . . . 65.129999999999995 110.663 -177.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -170.18 -124.36 0.74 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.75 -0.738 . . . . 72.450000000000003 112.116 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.7 tp -135.27 140.5 45.24 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.362 -0.607 . . . . 75.439999999999998 109.362 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.512 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 2.1 mp0 -85.59 174.35 9.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.843 0.354 . . . . 52.43 110.521 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -71.05 -52.77 17.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.924 -0.58 . . . . 71.510000000000005 111.61 -174.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -78.31 8.25 5.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.486 -0.325 . . . . 75.219999999999999 111.682 -175.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.512 ' HG2' ' HB2' ' A' ' 48' ' ' GLN . 6.9 mm-40 -93.1 -11.59 32.56 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.343 -0.614 . . . . 74.129999999999995 109.343 176.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.524 ' HG ' HG21 ' A' ' 86' ' ' VAL . 1.5 tm? -97.53 100.9 12.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.449 -0.796 . . . . 72.319999999999993 109.848 -177.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.5 p -127.29 178.08 6.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.105 -0.498 . . . . 74.439999999999998 110.765 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.714 ' HG2' ' HB2' ' A' ' 102' ' ' ASP . 2.1 mp0 -59.87 -35.7 75.36 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.983 0.421 . . . . 55.109999999999999 110.427 177.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.05 -41.95 97.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.722 -0.672 . . . . 72.25 110.316 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -61.52 -48.62 80.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.066 -0.516 . . . . 65.209999999999994 110.463 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.44 -45.27 92.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 71.450000000000003 111.234 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -67.92 -44.88 75.87 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.1 -0.5 . . . . 60.149999999999999 111.182 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -62.53 -43.42 98.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.311 -0.404 . . . . 42.130000000000003 110.722 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -67.69 -33.06 74.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 74.329999999999998 110.136 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.53 HD22 ' HZ ' ' A' ' 103' ' ' PHE . 53.4 tp -58.9 -48.0 82.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 73.310000000000002 110.066 174.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 74.2 mt -59.56 -44.11 92.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.578 -0.737 . . . . 72.230000000000004 110.474 175.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -55.75 -43.53 76.74 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.154 0.502 . . . . 74.510000000000005 110.708 175.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.532 ' HG3' ' HB2' ' A' ' 70' ' ' ASN . 4.0 tpp -66.39 -45.66 79.27 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.736 -0.666 . . . . 74.409999999999997 110.858 -179.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 13.2 tmtt? -71.66 -48.24 48.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.053 -0.522 . . . . 64.140000000000001 110.908 -177.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.4 ' C ' ' HD3' ' A' ' 66' ' ' LYS . 10.9 tmtt? -82.97 -61.84 1.76 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.416 -0.357 . . . . 72.420000000000002 111.083 -172.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.7 m -72.02 -42.71 66.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.466 -0.334 . . . . 71.25 111.807 -172.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.528 ' HB2' ' O ' ' A' ' 64' ' ' MET . 90.3 mt -86.04 -19.05 30.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.689 -0.232 . . . . 65.409999999999997 111.195 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 10.0 t 64.73 34.9 9.19 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 123.677 0.611 . . . . 64.239999999999995 110.39 -179.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.532 ' HB2' ' HG3' ' A' ' 64' ' ' MET . 13.2 m120 -97.26 149.9 21.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.125 -0.488 . . . . 63.329999999999998 110.725 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.86 172.47 13.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.13 -0.486 . . . . 75.420000000000002 111.118 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -55.98 -47.97 76.71 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.924 -0.58 . . . . 61.130000000000003 111.378 -177.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.1 m -57.22 -46.98 82.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.759 -0.655 . . . . 65.109999999999999 110.963 -177.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.5 m -64.51 -42.21 95.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.989 -0.55 . . . . 74.540000000000006 110.857 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.454 ' HB2' ' HG2' ' A' ' 64' ' ' MET . . . -62.35 -47.84 82.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.896 -0.593 . . . . 71.129999999999995 111.717 -177.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -62.77 -47.47 83.38 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.347 -0.388 . . . . 71.209999999999994 111.734 -175.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -68.11 -24.8 65.06 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.918 -0.313 . . . . 52.109999999999999 111.402 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -73.74 -40.62 63.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.936 0.398 . . . . 64.409999999999997 110.276 173.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.4 mt -68.15 -28.86 67.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.033 -0.53 . . . . 55.140000000000001 110.88 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.742 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 75.5 m -54.53 -24.99 23.11 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.563 0.579 . . . . 55.539999999999999 112.563 177.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.62 HG21 ' HG2' ' A' ' 37' ' ' MET . 72.7 p -60.49 -53.33 58.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.048 0.451 . . . . 55.530000000000001 110.562 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 83.7 mt -70.41 -32.91 51.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.794 -0.639 . . . . 71.430000000000007 110.265 176.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.742 ' HB2' ' HA ' ' A' ' 80' ' ' SER . 25.8 mmtp -53.63 -51.63 62.47 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.372 -0.376 . . . . 72.239999999999995 111.348 176.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 80' ' ' SER . 72.7 mt -62.96 -34.51 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.883 0.373 . . . . 74.140000000000001 110.998 -178.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.768 ' HB2' HG22 ' A' ' 14' ' ' VAL . 83.4 t80 -70.2 -53.85 15.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.01 -0.541 . . . . 64.530000000000001 110.405 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.648 ' O ' HG13 ' A' ' 90' ' ' ILE . 78.5 t -64.1 -45.52 96.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.777 -0.647 . . . . 73.209999999999994 110.558 -178.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.574 ' HA ' HD12 ' A' ' 90' ' ' ILE . 4.4 m -57.62 -36.86 72.35 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.409 -0.359 . . . . 72.439999999999998 111.756 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.32 -32.82 69.04 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.204 0.526 . . . . 43.130000000000003 110.586 177.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.84 -23.07 55.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.795 -0.639 . . . . 45.049999999999997 111.103 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.648 HG13 ' O ' ' A' ' 86' ' ' VAL . 88.4 mt -74.83 -31.68 26.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.01 -0.541 . . . . 63.509999999999998 110.838 179.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.46 ' HD3' ' HA ' ' A' ' 91' ' ' LYS . 69.4 mmtt -75.46 -45.3 39.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.366 -0.379 . . . . 64.310000000000002 111.042 -175.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -163.63 71.8 0.26 Allowed 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.404 0.621 . . . . 74.540000000000006 110.184 173.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -139.36 -65.25 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.489 -0.778 . . . . 64.420000000000002 111.612 176.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -166.58 -36.78 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.007 0.432 . . . . 74.129999999999995 110.171 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 97.3 mmm -68.86 149.8 48.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.894 -0.594 . . . . 64.129999999999995 110.367 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -129.19 -47.59 1.21 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.386 0.612 . . . . 75.439999999999998 109.911 -177.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -98.06 120.8 39.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.682 -0.69 . . . . 60.350000000000001 109.343 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.59 ' HB3' HD13 ' A' ' 90' ' ' ILE . 4.1 p-10 -77.43 150.22 79.5 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 116.335 -0.393 . . . . 74.420000000000002 110.31 -177.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -85.34 -3.49 9.4 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.807 2.338 . . . . 65.439999999999998 113.186 -178.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.423 ' HB3' ' HE2' ' A' ' 83' ' ' LYS . 38.9 p90 -94.98 -27.91 15.41 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.385 -0.526 . . . . 75.219999999999999 112.27 -174.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -53.35 -48.92 68.12 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.02 0.438 . . . . 65.230000000000004 110.951 175.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.714 ' HB2' ' HG2' ' A' ' 54' ' ' GLU . 1.3 m-20 -88.92 -3.32 58.77 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.123 -0.49 . . . . 64.430000000000007 111.527 -174.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.53 ' HZ ' HD22 ' A' ' 61' ' ' LEU . 83.5 t80 . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 116.475 -0.33 . . . . 75.329999999999998 110.657 -178.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 . . . . . 0 N--CA 1.446 -0.644 0 CA-C-O 121.126 0.489 . . . . 71.219999999999999 111.136 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -76.85 -27.82 55.24 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.266 -0.879 . . . . 35.119999999999997 111.781 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.8 m -100.6 140.28 35.09 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.954 0.407 . . . . 74.439999999999998 111.374 -174.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.43 ' O ' HG23 ' A' ' 14' ' ' VAL . 32.8 p90 -58.78 -43.17 90.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.46 -0.791 . . . . 64.439999999999998 111.468 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -65.0 -26.32 68.24 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.931 0.396 . . . . 74.319999999999993 110.541 -178.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.08 -44.51 21.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.836 -0.62 . . . . 73.349999999999994 110.43 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -63.22 -47.11 83.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.774 -0.648 . . . . 63.340000000000003 110.502 179.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.433 ' CG2' ' HB3' ' A' ' 85' ' ' TYR . 95.6 t -63.0 -44.59 99.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.827 -0.624 . . . . 71.340000000000003 111.008 -178.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' A' ' 19' ' ' LYS . . . -59.92 -45.02 93.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.628 -0.26 . . . . 64.519999999999996 111.497 -177.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -68.13 -44.88 75.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.269 -0.423 . . . . 74.430000000000007 110.88 -177.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -69.44 -39.38 77.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.817 0.341 . . . . 73.239999999999995 111.254 -177.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.616 ' HG2' ' HE1' ' A' ' 30' ' ' PHE . 34.4 ttm -64.85 -28.97 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.376 -0.375 . . . . 50.439999999999998 111.391 -176.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 93.8 mttt -54.43 -35.78 63.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.05 0.452 . . . . 71.450000000000003 111.048 175.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.4 m -95.43 -30.64 13.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.069 -0.514 . . . . 72.019999999999996 110.766 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.614 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 88.5 t80 -62.64 -30.12 71.13 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.289 -0.414 . . . . 75.209999999999994 111.356 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 p -68.08 -10.71 56.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.432 -0.349 . . . . 75.230000000000004 111.75 -178.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -69.61 -19.14 63.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.161 0.505 . . . . 75.25 110.569 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -120.47 30.52 6.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.948 -0.569 . . . . 70.140000000000001 110.708 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.544 ' HG ' HG23 ' A' ' 29' ' ' THR . 15.2 tp -141.85 142.56 33.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.947 -0.57 . . . . 73.310000000000002 109.886 178.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.548 ' HB2' HG22 ' A' ' 29' ' ' THR . 23.2 mt-10 -64.75 147.24 53.51 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.415 -0.357 . . . . 63.439999999999998 110.286 173.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.2 mt -65.43 -34.84 73.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.382 -0.372 . . . . 54.210000000000001 110.286 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.12 -55.96 27.93 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 121.07 -0.586 . . . . 31.41 112.547 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.548 HG22 ' HB2' ' A' ' 26' ' ' GLU . 8.6 t -66.31 -43.49 86.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.48 0.181 . . . . 64.129999999999995 110.843 178.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.616 ' HE1' ' HG2' ' A' ' 18' ' ' MET . 66.2 t80 -52.51 -53.39 46.62 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.539 -0.301 . . . . 61.299999999999997 111.222 175.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -61.37 -34.84 75.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 75.239999999999995 111.664 -177.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -64.87 -32.54 74.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.397 -0.365 . . . . 73.450000000000003 110.981 -176.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -123.12 37.0 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.348 0.594 . . . . 71.439999999999998 110.134 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -86.08 -53.97 4.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.451 -0.795 . . . . 75.109999999999999 111.681 -176.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 m -68.24 -72.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 63.43 111.376 -171.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 83.3 m 43.11 -87.08 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.762 1.023 . . . . 64.430000000000007 113.762 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 64.6 mtt -64.14 -29.21 70.35 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.271 -0.422 . . . . 75.239999999999995 110.893 -176.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -63.94 -25.92 68.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.818 -0.628 . . . . 73.400000000000006 111.573 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.561 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 3.8 tmmm? -86.54 -31.78 21.06 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 121.37 0.605 . . . . 60.530000000000001 109.517 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -72.22 -8.38 54.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.502 -0.772 . . . . 74.239999999999995 110.661 -177.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 73.3 tttt 75.16 101.37 0.07 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.244 -0.889 . . . . 73.219999999999999 109.987 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -71.93 -176.92 1.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.332 -0.849 . . . . 73.5 111.99 -174.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 62.97 88.06 0.1 Allowed 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.03 -0.986 . . . . 74.010000000000005 110.39 -175.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.0 t -156.36 -164.39 1.66 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.571 -1.195 . . . . 72.219999999999999 108.215 -173.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -55.03 120.7 7.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.06 0.457 . . . . 74.439999999999998 110.895 178.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -78.31 77.41 1.71 Allowed Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.604 -0.725 . . . . 64.400000000000006 111.555 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 28.2 tp -59.86 125.61 24.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.815 0.341 . . . . 75.450000000000003 110.107 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -74.36 169.43 17.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.901 -0.591 . . . . 74.239999999999995 111.412 -175.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.575 ' HB2' ' HE2' ' A' ' 94' ' ' TYR . 47.0 m-85 -65.88 -49.04 69.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.521 -0.763 . . . . 75.150000000000006 110.845 -176.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.613 ' HA ' ' SD ' ' A' ' 95' ' ' MET . 26.4 t-80 -73.47 -11.32 60.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.869 -0.605 . . . . 71.510000000000005 111.066 -174.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -81.63 -11.78 58.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.894 0.378 . . . . 75.329999999999998 110.744 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.484 ' HG ' HG21 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -79.16 98.01 6.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.968 -0.56 . . . . 70.140000000000001 109.633 179.446 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.2 p -113.24 -178.84 3.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.887 -0.597 . . . . 53.340000000000003 111.867 -173.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -67.84 -38.1 82.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.741 -0.663 . . . . 74.129999999999995 109.763 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -57.23 -41.17 79.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.675 -0.693 . . . . 53.210000000000001 110.498 177.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -59.75 -51.66 68.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 75.319999999999993 110.025 177.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.28 -51.43 69.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.291 -0.413 . . . . 74.150000000000006 111.404 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.41 ' HD3' ' C ' ' A' ' 58' ' ' ARG . 3.2 tmt_? -59.19 -50.38 74.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 74.230000000000004 111.142 -176.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -68.57 -40.98 80.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.913 0.387 . . . . 61.219999999999999 111.06 -176.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -70.58 -34.15 71.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.133 -0.485 . . . . 74.530000000000001 110.401 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 58.5 tp -63.18 -50.39 70.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.915 -0.584 . . . . 70.430000000000007 110.444 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 58' ' ' ARG . 46.0 mm -57.76 -46.18 86.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.129 -0.487 . . . . 52.43 110.541 178.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -58.51 -42.03 86.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.765 -0.652 . . . . 74.340000000000003 110.643 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.61 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 13.5 ttm -70.08 -41.66 73.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.616 -0.72 . . . . 65.549999999999997 110.938 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.593 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 7.5 tmtt? -63.39 -45.53 90.65 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.269 -0.878 . . . . 73.420000000000002 110.93 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -80.78 -64.24 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.083 0.468 . . . . 73.340000000000003 111.893 -177.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 31.7 m -74.45 -43.82 54.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.038 -0.528 . . . . 43.520000000000003 111.894 -171.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.422 HD12 ' HG3' ' A' ' 64' ' ' MET . 87.1 mt -87.15 -11.1 51.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.503 -0.317 . . . . 75.310000000000002 110.726 -177.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 65.6 m 66.53 26.81 9.83 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.925 -0.58 . . . . 65.219999999999999 112.556 173.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.61 ' HB2' ' HG2' ' A' ' 64' ' ' MET . 32.9 m-80 -97.73 152.14 19.43 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 121.049 -0.26 . . . . 73.400000000000006 110.601 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.2 -177.7 4.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.405 -0.361 . . . . 63.030000000000001 110.29 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -55.63 -57.69 10.92 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.685 0.278 . . . . 65.340000000000003 111.6 -177.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.421 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 61.5 m -63.65 -35.98 82.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.449 -0.341 . . . . 53.039999999999999 111.295 -177.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.36 -39.78 77.86 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.128 0.49 . . . . 64.430000000000007 110.252 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.51 -42.96 91.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.801 -0.636 . . . . 74.019999999999996 110.621 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -58.56 -35.36 72.24 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.124 -0.489 . . . . 75.450000000000003 111.099 178.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 73' ' ' SER . 28.4 mmt180 -63.28 -43.32 98.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.009 0.433 . . . . 62.329999999999998 110.868 177.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -73.15 -41.42 63.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.71 -0.677 . . . . 75.040000000000006 110.783 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 71.1 mt -65.59 -21.34 66.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.507 -0.77 . . . . 71.450000000000003 112.104 -177.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.614 ' O ' HG12 ' A' ' 84' ' ' ILE . 73.3 m -50.4 -32.32 17.3 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.124 0.416 . . . . 62.409999999999997 112.124 176.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.5 p -63.63 -47.53 80.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.183 0.516 . . . . 73.530000000000001 110.917 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.639 HG23 ' HE2' ' A' ' 85' ' ' TYR . 72.8 mt -69.72 -36.59 70.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.75 -0.659 . . . . 70.140000000000001 109.97 177.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.415 ' HB3' ' HA ' ' A' ' 80' ' ' SER . 77.2 tttt -54.07 -43.17 70.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.555 -0.748 . . . . 74.299999999999997 111.422 176.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.614 HG12 ' O ' ' A' ' 80' ' ' SER . 41.7 mm -54.73 -51.25 53.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 112.332 0.493 . . . . 73.140000000000001 112.332 -176.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.639 ' HE2' HG23 ' A' ' 82' ' ' ILE . 1.7 p90 -72.82 -28.99 62.88 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 120.045 -0.662 . . . . 65.420000000000002 110.629 -173.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.501 ' O ' HG13 ' A' ' 90' ' ' ILE . 86.9 t -75.83 -47.98 30.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.222 0.534 . . . . 60.109999999999999 110.188 176.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 m -62.04 -35.42 78.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.239 -0.892 . . . . 73.25 112.142 -176.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.09 83.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.145 0.498 . . . . 54.200000000000003 110.609 176.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.431 ' HB1' ' HB3' ' A' ' 94' ' ' TYR . . . -75.65 -28.36 58.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.723 -0.671 . . . . 63.409999999999997 110.835 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 86' ' ' VAL . 80.1 mt -66.72 -44.27 89.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.084 0.468 . . . . 62.030000000000001 110.257 177.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -65.09 -42.75 93.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.718 -0.673 . . . . 75.439999999999998 111.164 -178.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.457 ' HD2' ' HA ' ' A' ' 92' ' ' LYS . 38.0 tptt -69.29 -34.81 75.28 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.868 -0.333 . . . . 72.530000000000001 110.881 -178.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 116.71 17.22 6.06 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.448 -0.882 . . . . 70.120000000000005 113.144 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.575 ' HE2' ' HB2' ' A' ' 49' ' ' PHE . 87.7 t80 -87.23 -46.57 9.6 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.451 -0.574 . . . . 64.049999999999997 109.451 175.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.613 ' SD ' ' HA ' ' A' ' 50' ' ' HIS . 90.8 mmm -93.21 105.58 17.64 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.911 -0.586 . . . . 64.439999999999998 109.428 174.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -82.06 -33.58 29.82 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.552 -0.749 . . . . 75.5 111.271 -174.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -119.73 134.65 55.15 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.066 -0.515 . . . . 61.100000000000001 110.459 177.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -80.57 150.61 70.37 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.556 -0.747 . . . . 73.040000000000006 111.071 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -79.97 -4.06 13.1 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.957 2.438 . . . . 63.240000000000002 113.217 -178.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.714 ' HB2' ' HD2' ' A' ' 103' ' ' PHE . 29.6 p90 -109.25 19.08 19.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.439 1.114 . . . . 73.329999999999998 110.745 -178.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -52.25 -25.56 9.66 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 112.926 -1.943 . . . . 74.349999999999994 113.06 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -74.08 -16.58 61.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.903 0.382 . . . . 62.509999999999998 111.273 -176.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.714 ' HD2' ' HB2' ' A' ' 100' ' ' PHE . 52.2 m-85 . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 116.229 -0.441 . . . . 71.439999999999998 110.152 176.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.691 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 52.6 m-85 . . . . . 0 N--CA 1.445 -0.722 0 N-CA-C 109.877 -0.416 . . . . 75.209999999999994 109.877 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -58.79 -44.53 90.75 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.997 0.427 . . . . 65.420000000000002 110.727 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.8 m -156.2 -178.53 7.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.855 -0.611 . . . . 74.439999999999998 110.52 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.439 ' O ' HG23 ' A' ' 14' ' ' VAL . 30.2 p90 -56.37 -41.16 75.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.868 -0.606 . . . . 74.140000000000001 111.497 179.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.821 ' HB2' ' HB3' ' A' ' 37' ' ' MET . 12.9 p-80 -62.79 -24.56 67.8 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.452 -0.34 . . . . 72.049999999999997 111.575 -174.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.691 ' HB2' ' HB3' ' A' ' 7' ' ' PHE . 7.4 m-20 -76.62 -45.85 28.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.928 0.394 . . . . 72.510000000000005 110.347 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -68.06 -43.52 78.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.941 -0.572 . . . . 74.430000000000007 110.18 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.498 ' CG2' ' HB2' ' A' ' 85' ' ' TYR . 86.8 t -61.14 -39.72 83.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.178 -0.465 . . . . 65.329999999999998 110.551 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.55 98.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.505 -0.316 . . . . 74.010000000000005 110.836 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -71.15 -38.11 72.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.998 0.427 . . . . 54.109999999999999 110.673 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -69.94 -42.55 73.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.047 0.451 . . . . 72.510000000000005 109.979 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.68 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 34.3 ttm -67.37 -35.08 78.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.981 -0.554 . . . . 63.399999999999999 110.043 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -55.83 -33.84 64.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.619 -0.718 . . . . 62.130000000000003 110.506 174.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.2 m -69.2 -52.83 23.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.653 -0.703 . . . . 72.310000000000002 111.611 -177.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.68 ' CE2' ' HA ' ' A' ' 18' ' ' MET . 16.2 p90 -90.03 3.55 52.87 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 120.73 -0.388 . . . . 65.439999999999998 111.548 -176.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.9 t -62.24 -10.68 11.5 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.063 0.459 . . . . 64.230000000000004 110.801 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -65.94 -30.59 71.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.678 -0.692 . . . . 74.030000000000001 110.389 178.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -102.55 -9.65 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 73.530000000000001 110.783 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.451 HD13 ' HE1' ' A' ' 21' ' ' TYR . 14.7 tp -89.23 128.25 35.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.497 -0.32 . . . . 74.099999999999994 110.21 -173.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.21 150.88 33.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.838 -0.619 . . . . 71.239999999999995 109.542 173.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.9 mm -67.19 -32.73 58.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.934 -0.575 . . . . 63.130000000000003 110.578 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.28 -54.01 28.67 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 121.203 -0.522 . . . . 72.310000000000002 113.303 -178.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.421 HG23 ' HG ' ' A' ' 25' ' ' LEU . 1.8 t -67.61 -52.06 42.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.018 0.409 . . . . 75.420000000000002 111.042 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.401 ' HB2' HD23 ' A' ' 25' ' ' LEU . 82.3 t80 -50.19 -49.69 51.7 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 123.203 0.314 . . . . 73.010000000000005 111.692 178.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -61.94 -21.87 65.15 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.215 0.821 . . . . 71.109999999999999 113.215 -173.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -85.79 -63.05 1.39 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.207 0.447 . . . . 63.439999999999998 112.207 -175.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -84.02 11.84 7.25 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.446 0.535 . . . . 74.030000000000001 112.446 -172.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.491 ' HD3' ' N ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -80.93 -33.29 34.16 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.057 0.455 . . . . 71.239999999999995 110.152 172.693 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.491 ' N ' ' HD3' ' A' ' 34' ' ' LYS . 15.6 m -75.5 -33.86 60.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.394 -0.821 . . . . 71.109999999999999 110.749 -179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.0 m -55.75 -52.2 64.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.799 -0.637 . . . . 61.109999999999999 111.51 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.821 ' HB3' ' HB2' ' A' ' 11' ' ' HIS . 71.7 mtm -60.6 -26.99 67.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.259 -0.882 . . . . 74.329999999999998 111.978 -178.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 5.8 mpt_? -77.13 -38.32 52.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.114 0.483 . . . . 63.25 111.024 178.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -73.33 -51.37 17.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.698 -0.683 . . . . 75.430000000000007 112.265 -172.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -68.61 3.25 1.93 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.893 1.072 . . . . 53.210000000000001 113.893 -169.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 38' ' ' ARG . 23.6 pttm -85.19 7.36 22.2 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.908 -0.495 . . . . 70.420000000000002 111.614 -175.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.69 -34.35 77.66 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.925 0.342 . . . . 73.150000000000006 111.925 -173.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -77.34 -14.28 59.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.657 0.265 . . . . 74.409999999999997 111.0 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.8 t 58.4 35.1 24.54 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.839 -0.619 . . . . 73.109999999999999 110.473 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -110.73 142.22 42.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.131 -0.486 . . . . 71.209999999999994 110.401 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.11 -138.65 8.34 Favored Glycine 0 N--CA 1.439 -1.121 0 N-CA-C 110.898 -0.881 . . . . 63.420000000000002 110.898 172.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.564 ' HG ' ' HB2' ' A' ' 51' ' ' GLU . 12.7 tp -166.51 135.37 2.94 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.432 -0.581 . . . . 65.400000000000006 109.432 -179.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -81.84 168.18 18.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.222 0.534 . . . . 65.129999999999995 110.616 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.416 ' HB2' ' SD ' ' A' ' 95' ' ' MET . 34.4 p90 -62.61 -42.54 99.64 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.223 -0.899 . . . . 71.530000000000001 111.488 -176.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -77.41 -10.69 59.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.858 -0.61 . . . . 52.439999999999998 111.333 -177.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.564 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . 48.4 mt-10 -84.45 -30.2 25.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.911 0.386 . . . . 74.299999999999997 110.164 177.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.402 HD23 HD23 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -72.45 98.89 2.35 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.226 -0.657 . . . . 71.140000000000001 109.226 178.723 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.9 p -137.46 172.33 13.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.75 -0.659 . . . . 52.420000000000002 110.672 -175.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.453 ' HG3' ' HA ' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -54.78 -42.37 71.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.137 0.494 . . . . 61.509999999999998 109.974 174.625 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -51.05 -46.8 61.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.983 -1.008 . . . . 63.299999999999997 111.26 176.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -61.66 -48.15 82.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.034 -0.53 . . . . 70.120000000000005 110.744 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.74 -42.92 84.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.476 -0.329 . . . . 65.519999999999996 111.151 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.471 ' O ' HG12 ' A' ' 62' ' ' ILE . 60.6 mtp180 -63.26 -55.62 23.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.026 0.441 . . . . 64.540000000000006 110.663 178.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -57.95 -44.73 87.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.249 -0.887 . . . . 75.239999999999995 111.715 -177.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -68.8 -36.77 78.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 62.32 110.367 -178.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 58.9 tp -58.74 -49.88 76.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 71.530000000000001 110.345 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 58' ' ' ARG . 51.6 mm -57.48 -47.92 83.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.582 -0.736 . . . . 62.020000000000003 110.512 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -56.43 -42.05 77.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.198 0.523 . . . . 74.329999999999998 110.824 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.583 ' O ' ' HB2' ' A' ' 68' ' ' LEU . 3.2 ttp -68.55 -38.5 80.85 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.762 -0.653 . . . . 60.329999999999998 111.653 -177.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 69' ' ' CYS . 19.4 ptmt -84.83 -23.1 29.21 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.512 -0.475 . . . . 72.120000000000005 111.902 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -90.51 -62.05 1.54 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.67 -0.241 . . . . 72.519999999999996 110.912 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.9 m -74.4 -47.76 31.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.858 0.361 . . . . 54.520000000000003 111.01 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.583 ' HB2' ' O ' ' A' ' 64' ' ' MET . 96.9 mt -84.02 -18.09 38.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 74.140000000000001 110.904 -178.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.509 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 33.0 t 64.66 29.82 12.79 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.908 -0.587 . . . . 74.209999999999994 111.617 176.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.45 HD22 ' N ' ' A' ' 70' ' ' ASN . 0.9 OUTLIER -89.7 148.42 23.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.077 -0.389 . . . . 75.540000000000006 110.339 178.048 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.17 170.35 14.83 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.477 -0.329 . . . . 32.140000000000001 110.388 -178.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -59.97 -43.56 95.01 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.032 0.444 . . . . 70.430000000000007 110.882 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.64 ' O ' ' HD3' ' A' ' 77' ' ' ARG . 14.8 m -60.02 -25.58 65.41 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.136 -0.484 . . . . 64.340000000000003 110.749 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.2 m -86.79 -53.42 4.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.311 0.577 . . . . 62.439999999999998 110.781 175.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.65 -41.77 99.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.378 -0.828 . . . . 54.539999999999999 112.437 -173.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.423 ' HB2' HH11 ' A' ' 77' ' ' ARG . 0.9 OUTLIER -58.77 -34.22 71.19 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.884 0.474 . . . . 70.5 111.263 -179.074 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.64 ' HD3' ' O ' ' A' ' 73' ' ' SER . 10.3 mpt_? -77.72 -30.25 51.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.857 0.361 . . . . 74.099999999999994 110.408 -178.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.578 ' O ' HG22 ' A' ' 81' ' ' THR . 56.9 t30 -73.83 -43.99 57.04 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.338 -0.392 . . . . 53.43 110.0 176.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.8 mt -59.4 -32.41 70.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 73.310000000000002 110.486 176.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.468 ' O ' HG13 ' A' ' 84' ' ' ILE . 73.3 m -59.79 -26.6 65.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.994 -0.548 . . . . 75.209999999999994 112.237 177.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 78' ' ' ASN . 1.3 t -71.27 -36.57 71.77 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.842 -0.429 . . . . 75.510000000000005 109.842 -178.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 96.7 mt -75.98 -32.51 23.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 121.037 0.446 . . . . 73.519999999999996 109.861 174.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -57.2 -37.02 71.56 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.696 -0.684 . . . . 72.040000000000006 110.721 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 80' ' ' SER . 67.0 mt -58.86 -41.14 81.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.787 0.327 . . . . 62.5 110.627 178.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.498 ' HB2' ' CG2' ' A' ' 14' ' ' VAL . 65.8 t80 -69.7 -48.3 60.1 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.775 -0.454 . . . . 72.430000000000007 109.775 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.624 ' O ' HG13 ' A' ' 90' ' ' ILE . 80.0 t -60.01 -49.72 82.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.516 -0.765 . . . . 64.310000000000002 110.676 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.513 ' HA ' HD12 ' A' ' 90' ' ' ILE . 2.7 m -62.42 -38.13 88.5 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.559 -0.746 . . . . 54.200000000000003 111.632 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.37 -37.04 85.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.231 0.539 . . . . 71.439999999999998 110.034 175.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.74 -23.63 64.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.64 -0.709 . . . . 75.209999999999994 111.266 177.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.624 HG13 ' O ' ' A' ' 86' ' ' VAL . 62.6 mt -79.66 -38.93 19.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.094 0.473 . . . . 62.229999999999997 110.143 176.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -77.39 -45.12 26.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.87 -0.604 . . . . 73.340000000000003 111.299 -175.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -141.0 31.46 1.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.961 0.41 . . . . 52.109999999999999 111.829 -174.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -120.69 -97.43 1.58 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.385 -0.912 . . . . 74.109999999999999 112.73 -179.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -148.34 -32.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.603 0.239 . . . . 64.329999999999998 110.926 -176.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.438 ' HB2' ' HA ' ' A' ' 90' ' ' ILE . 98.8 mmm -53.0 131.38 36.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.951 -0.568 . . . . 55.229999999999997 111.35 -177.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -78.13 -46.39 20.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.744 -0.662 . . . . 75.150000000000006 110.215 -176.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -141.29 172.51 12.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.037 -0.529 . . . . 75.129999999999995 110.082 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.456 ' OD2' ' HG2' ' A' ' 101' ' ' LYS . 4.1 p-10 -85.71 144.18 39.35 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.86 -0.609 . . . . 73.209999999999994 110.66 178.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.01 -4.72 15.2 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.805 2.337 . . . . 65.510000000000005 113.786 -173.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.606 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 52.8 p90 -102.6 -0.25 32.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.63 0.729 . . . . 72.349999999999994 111.35 -178.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.93 ' HE2' ' HA ' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -55.98 -44.74 78.86 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.8 -1.091 . . . . 73.430000000000007 110.732 175.306 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -106.66 17.67 22.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.7 0.762 . . . . 65.030000000000001 109.904 -177.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.606 ' HB2' ' HA ' ' A' ' 100' ' ' PHE . 20.6 t80 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 115.157 -0.929 . . . . 73.239999999999995 111.759 -175.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.566 ' HB3' ' CB ' ' A' ' 12' ' ' ASP . 3.7 m-85 . . . . . 0 N--CA 1.443 -0.824 0 N-CA-C 109.19 -0.67 . . . . 72.420000000000002 109.19 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.548 ' HB2' ' NZ ' ' A' ' 8' ' ' LYS . 9.8 mtmp? -89.92 -28.28 19.28 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.315 -0.402 . . . . 73.340000000000003 111.18 -177.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.545 ' HA ' ' HA2' ' A' ' 46' ' ' GLY . 11.2 m -144.1 175.69 9.86 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.9 0.381 . . . . 62.229999999999997 111.827 -166.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.657 ' HE1' ' H ' ' A' ' 44' ' ' CYS . 47.4 p90 -59.12 -38.32 79.32 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.787 -0.642 . . . . 63.109999999999999 111.554 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.703 ' HD2' ' HB3' ' A' ' 43' ' ' TYR . 19.5 p80 -64.85 -24.49 67.56 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 120.797 -0.361 . . . . 70.140000000000001 110.423 -178.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.566 ' CB ' ' HB3' ' A' ' 7' ' ' PHE . 23.5 m-20 -80.27 -48.29 13.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.117 0.484 . . . . 64.439999999999998 110.361 176.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -62.44 -49.02 77.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.714 -0.676 . . . . 74.510000000000005 111.092 -178.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.5 t -64.94 -34.46 70.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.045 -0.525 . . . . 72.340000000000003 110.572 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.63 -41.19 98.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.562 0.22 . . . . 54.340000000000003 111.083 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -68.24 -44.58 75.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.357 -0.383 . . . . 54.520000000000003 110.444 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -62.35 -43.24 99.29 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.219 0.533 . . . . 74.120000000000005 110.209 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.525 ' HG3' ' HE1' ' A' ' 30' ' ' PHE . 34.2 tpp -61.08 -47.21 87.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.237 -0.892 . . . . 75.340000000000003 110.16 178.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -57.96 -38.25 75.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.347 -0.842 . . . . 54.329999999999998 110.668 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 84.9 m -60.16 -51.35 69.98 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.177 -0.465 . . . . 62.109999999999999 112.058 -176.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.448 ' HE1' ' SD ' ' A' ' 18' ' ' MET . 4.2 p90 -84.22 -13.94 51.35 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.895 -0.503 . . . . 71.310000000000002 110.906 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.5 t -65.82 -11.55 47.26 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.083 -0.508 . . . . 65.120000000000005 111.462 177.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 23' ' ' ARG . 50.4 mtp180 -64.46 -22.06 66.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.963 0.411 . . . . 75.549999999999997 111.176 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -87.02 -41.51 13.81 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.091 -0.504 . . . . 63.200000000000003 111.36 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 2.4 pp -91.29 173.29 8.0 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 121.431 0.634 . . . . 73.209999999999994 111.916 -172.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -88.22 168.4 12.77 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.25 -0.887 . . . . 74.329999999999998 110.846 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.1 mm -66.79 -29.29 45.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.915 -0.584 . . . . 73.019999999999996 110.464 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.17 -51.73 48.57 Favored Glycine 0 CA--C 1.522 0.469 0 CA-C-N 116.036 -0.529 . . . . 42.340000000000003 113.494 -178.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.9 t -79.22 -36.52 39.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.796 0.331 . . . . 53.130000000000003 110.629 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.525 ' HE1' ' HG3' ' A' ' 18' ' ' MET . 37.6 t80 -54.34 -53.3 55.78 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.288 -0.414 . . . . 73.109999999999999 111.443 175.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.713 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 36.1 ptt180 -66.66 -25.54 66.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 73.049999999999997 111.129 -176.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -60.29 -34.68 74.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.325 -0.398 . . . . 75.349999999999994 111.043 -176.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -111.03 5.81 20.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.99 0.424 . . . . 75.329999999999998 110.693 177.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.713 ' HB3' ' HA ' ' A' ' 31' ' ' ARG . 79.6 tttt -96.3 -42.48 8.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.95 -0.568 . . . . 74.109999999999999 111.317 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.6 t -62.64 -29.51 70.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.472 -0.785 . . . . 75.340000000000003 112.22 -167.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 56.3 m -61.12 -62.44 1.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.87 0.367 . . . . 33.140000000000001 110.858 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 48.8 ttm -68.74 -28.9 67.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.857 -0.61 . . . . 74.230000000000004 110.982 -178.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.567 ' HG3' ' HE2' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -65.21 -44.23 88.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.273 -0.421 . . . . 71.310000000000002 110.958 -177.565 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -57.96 -67.31 0.35 Allowed 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.74 -0.664 . . . . 62.520000000000003 111.937 -177.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.54 ' HD1' ' HB3' ' A' ' 42' ' ' GLU . 7.9 t80 -71.85 -22.24 61.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.971 -0.558 . . . . 75.239999999999995 111.197 -176.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.5 pttt 46.72 35.35 3.03 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.093 0.957 . . . . 71.230000000000004 111.718 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.54 ' HB3' ' HD1' ' A' ' 40' ' ' PHE . 6.0 pt-20 -64.29 152.04 42.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.274 -0.876 . . . . 73.099999999999994 112.213 -175.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.703 ' HB3' ' HD2' ' A' ' 11' ' ' HIS . 27.8 p90 -155.21 139.02 16.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.581 -0.736 . . . . 63.130000000000003 110.753 -176.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.657 ' H ' ' HE1' ' A' ' 10' ' ' PHE . 48.2 t -98.41 60.79 1.38 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.089 -0.708 . . . . 71.340000000000003 109.089 174.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 68.65 -70.35 0.13 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.403 -0.817 . . . . 71.010000000000005 111.115 -176.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.545 ' HA2' ' HA ' ' A' ' 9' ' ' SER . . . -140.26 -130.33 2.64 Favored Glycine 0 N--CA 1.442 -0.955 0 N-CA-C 110.996 -0.842 . . . . 42.140000000000001 110.996 177.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.612 ' HG ' ' HB3' ' A' ' 10' ' ' PHE . 2.5 tm? -176.35 112.34 0.1 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.67 0.748 . . . . 72.420000000000002 111.097 170.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.427 ' H ' ' HB2' ' A' ' 51' ' ' GLU . 1.7 mp0 -126.55 -177.6 4.06 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 114.356 -1.293 . . . . 74.010000000000005 108.061 176.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -66.25 -34.58 78.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.139 0.495 . . . . 72.329999999999998 110.61 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -73.48 -8.03 54.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.941 -0.572 . . . . 74.040000000000006 111.47 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.427 ' HB2' ' H ' ' A' ' 48' ' ' GLN . 30.1 mt-10 -110.25 6.17 22.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.965 0.412 . . . . 64.400000000000006 111.017 -178.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.608 HD23 HD21 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -128.62 87.19 2.55 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.023 -0.732 . . . . 74.409999999999997 109.023 178.011 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.461 ' O ' HD23 ' A' ' 57' ' ' LEU . 38.7 p -132.19 179.66 5.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.088 -0.506 . . . . 74.409999999999997 111.178 -174.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.529 ' CG ' ' HA ' ' A' ' 103' ' ' PHE . 6.7 tm-20 -57.9 -45.99 85.61 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.698 -0.482 . . . . 73.420000000000002 109.698 172.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.91 -36.44 79.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.683 -0.69 . . . . 54.329999999999998 110.662 -178.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.516 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 87.9 t80 -63.16 -51.42 66.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 61.25 110.336 176.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 53' ' ' THR . 4.3 mm? -61.28 -40.44 94.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.266 -0.424 . . . . 72.219999999999999 110.912 178.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -60.13 -53.72 54.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.603 -0.726 . . . . 74.219999999999999 110.998 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.77 -38.08 88.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 71.519999999999996 111.046 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.516 ' HB2' ' O ' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -71.3 -28.75 64.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.913 -0.585 . . . . 74.329999999999998 111.19 -176.467 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.7 tp -64.95 -48.15 75.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.173 0.511 . . . . 55.299999999999997 109.961 173.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.6 mm -59.4 -50.06 81.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.469 -0.787 . . . . 72.239999999999995 109.8 175.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -55.38 -38.31 68.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.449 -0.796 . . . . 74.049999999999997 111.17 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.6 ' HG2' ' CB ' ' A' ' 75' ' ' ALA . 22.1 tpp -62.76 -47.89 81.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.902 -0.59 . . . . 75.230000000000004 111.569 -178.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 12.5 tmtt? -83.03 -42.79 17.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.7 -0.682 . . . . 71.219999999999999 110.479 -174.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -73.9 -61.13 1.95 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.637 -0.711 . . . . 74.140000000000001 111.368 -176.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.3 m -80.35 -47.7 14.08 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.306 0.484 . . . . 73.040000000000006 112.306 -173.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.435 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 1.8 tt -80.24 -88.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.741 -0.384 . . . . 62.450000000000003 111.15 -171.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.435 ' SG ' ' O ' ' A' ' 68' ' ' LEU . 63.3 m -174.89 -49.09 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.134 0.492 . . . . 73.109999999999999 111.005 -171.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.695 ' HB3' ' HB ' ' A' ' 74' ' ' THR . 20.7 m-80 -61.05 140.11 57.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.985 -1.007 . . . . 75.239999999999995 112.619 -166.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.56 -177.81 6.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.175 -0.92 . . . . 64.310000000000002 109.577 174.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -50.01 -57.36 7.75 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.885 0.374 . . . . 72.510000000000005 111.483 -175.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.403 ' O ' ' HB2' ' A' ' 76' ' ' GLN . 17.9 m -57.42 -46.32 83.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.793 -0.639 . . . . 62.020000000000003 111.529 -176.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.695 ' HB ' ' HB3' ' A' ' 70' ' ' ASN . 1.4 m -71.34 -35.35 71.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.906 0.384 . . . . 54.32 110.819 -178.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.6 ' CB ' ' HG2' ' A' ' 64' ' ' MET . . . -59.27 -38.93 81.36 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.991 -0.55 . . . . 63.100000000000001 110.131 176.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 73' ' ' SER . 29.6 mm-40 -58.39 -35.01 71.36 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.377 -0.829 . . . . 64.439999999999998 110.971 178.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -70.71 -46.0 63.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 74.439999999999998 111.079 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -70.14 -21.77 63.05 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.079 0.466 . . . . 74.319999999999993 110.775 -177.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 93.0 mt -86.79 -31.92 20.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.027 0.441 . . . . 63.119999999999997 110.547 174.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.578 ' O ' HG13 ' A' ' 84' ' ' ILE . 34.9 t -64.0 -33.87 76.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.037 -0.529 . . . . 70.140000000000001 111.137 -179.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.2 p -60.75 -48.69 80.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.049 0.452 . . . . 61.539999999999999 110.479 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.4 mt -63.0 -40.3 88.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.607 -0.724 . . . . 74.439999999999998 110.221 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 87' ' ' SER . 21.2 tttm -59.21 -35.49 73.7 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.719 -0.673 . . . . 62.399999999999999 111.346 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.578 HG13 ' O ' ' A' ' 80' ' ' SER . 76.6 mt -59.95 -39.84 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.951 0.405 . . . . 73.230000000000004 110.439 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -72.94 -43.94 61.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 75.120000000000005 110.153 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.626 HG13 ' SD ' ' A' ' 95' ' ' MET . 90.6 t -62.43 -51.78 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.882 -0.599 . . . . 74.519999999999996 111.015 178.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 1.3 m -57.53 -35.61 70.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.706 -0.679 . . . . 70.25 111.454 179.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.61 -33.7 64.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.427 . . . . 73.530000000000001 110.953 177.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.609 ' HB1' ' HB3' ' A' ' 94' ' ' TYR . . . -67.7 -25.81 65.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.134 -0.484 . . . . 33.340000000000003 111.2 179.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 86' ' ' VAL . 58.9 mt -71.13 -39.52 73.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.084 0.469 . . . . 61.420000000000002 109.916 176.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.495 ' HD3' ' O ' ' A' ' 91' ' ' LYS . 8.1 tmtt? -66.82 -38.11 85.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.755 -0.657 . . . . 63.100000000000001 109.3 176.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -68.05 -32.63 73.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.528 -0.76 . . . . 73.340000000000003 110.765 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.69 24.85 7.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.894 -0.67 . . . . 65.150000000000006 112.345 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.609 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 66.5 t80 -90.36 -46.28 8.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.005 0.431 . . . . 74.150000000000006 110.07 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.626 ' SD ' HG13 ' A' ' 86' ' ' VAL . 87.2 mtp -109.9 149.1 30.39 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.144 -0.48 . . . . 71.209999999999994 110.593 178.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -77.43 -35.39 54.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.779 -0.646 . . . . 73.120000000000005 111.719 -176.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -155.72 157.67 36.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.265 -0.425 . . . . 74.010000000000005 111.457 -174.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.59 144.21 93.77 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.381 -0.827 . . . . 53.5 110.578 174.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -64.89 -27.43 58.87 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.381 2.054 . . . . 65.420000000000002 110.499 171.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -60.91 -29.73 69.76 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.104 -0.953 . . . . 72.319999999999993 110.838 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -72.08 -45.44 60.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.163 -0.471 . . . . 71.109999999999999 111.039 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -83.7 -11.14 57.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.932 -0.576 . . . . 63.32 110.673 -176.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.529 ' HA ' ' CG ' ' A' ' 54' ' ' GLU . 38.4 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.54 -0.755 . . . . 64.209999999999994 110.913 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.447 -0.585 0 N-CA-C 109.611 -0.514 . . . . 61.109999999999999 109.611 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -78.13 -25.99 47.65 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.328 -0.396 . . . . 71.129999999999995 111.43 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.8 p -157.85 -173.44 4.37 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.077 0.465 . . . . 52.439999999999998 111.484 -174.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.435 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.5 p90 -57.84 -40.63 80.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.263 -0.881 . . . . 74.219999999999999 111.771 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -73.69 -23.36 59.8 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 120.699 -0.4 . . . . 74.349999999999994 111.286 -174.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.79 -41.8 51.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.95 0.405 . . . . 64.219999999999999 110.334 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.593 ' CD1' ' HB2' ' A' ' 85' ' ' TYR . 24.4 t80 -62.83 -42.73 99.85 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.417 -0.586 . . . . 74.120000000000005 109.417 177.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.466 ' O ' ' HB2' ' A' ' 18' ' ' MET . 54.3 t -56.83 -55.34 20.52 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.304 0 CA-C-N 115.198 -0.91 . . . . 73.5 111.184 177.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.06 -28.99 63.05 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.143 0.423 . . . . 45.43 112.143 -175.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.3 t -78.92 -45.19 21.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.717 -0.22 . . . . 74.109999999999999 111.238 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -77.44 -40.32 43.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.228 0.537 . . . . 74.109999999999999 110.422 -177.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.595 ' HB3' ' HE1' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -62.67 -28.34 69.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.385 -0.825 . . . . 73.239999999999995 111.474 178.248 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -49.83 -32.71 14.84 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.929 -0.578 . . . . 72.129999999999995 110.972 175.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.5 m -57.7 -56.07 26.67 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.294 -0.412 . . . . 55.030000000000001 112.089 -178.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.599 ' HE2' HD22 ' A' ' 25' ' ' LEU . 31.1 p90 -89.79 -7.06 55.25 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 121.041 -0.264 . . . . 71.230000000000004 111.12 -176.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.4 t -58.3 -21.02 47.46 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.488 -0.324 . . . . 72.439999999999998 111.468 176.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -68.23 -23.16 64.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.055 0.455 . . . . 70.109999999999999 110.833 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -112.81 13.29 19.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.964 -0.562 . . . . 71.230000000000004 110.422 -174.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.599 HD22 ' HE2' ' A' ' 21' ' ' TYR . 16.2 tp -127.94 139.91 52.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.83 -0.623 . . . . 70.450000000000003 109.703 -179.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -65.03 142.54 58.38 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.205 -0.452 . . . . 65.519999999999996 110.773 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.5 mm -61.03 -35.61 66.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.768 -0.651 . . . . 64.430000000000007 110.196 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.29 -47.76 79.87 Favored Glycine 0 CA--C 1.519 0.317 0 CA-C-N 115.826 -0.625 . . . . 50.43 112.685 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.496 HG23 ' HG ' ' A' ' 25' ' ' LEU . 8.8 t -79.44 -43.14 23.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.579 -0.365 . . . . 75.299999999999997 110.869 -178.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.595 ' HE1' ' HB3' ' A' ' 18' ' ' MET . 83.4 t80 -54.71 -44.31 73.36 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.821 0.344 . . . . 75.409999999999997 111.921 177.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.437 ' HB2' ' OG ' ' A' ' 35' ' ' SER . 22.2 ptt180 -69.59 -19.21 63.66 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.658 0.244 . . . . 65.230000000000004 111.658 -175.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -56.94 -24.01 49.68 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.819 0.342 . . . . 72.010000000000005 110.964 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -104.83 -60.86 1.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.19 -0.459 . . . . 75.109999999999999 109.78 176.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -51.05 -54.37 25.36 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.303 -0.862 . . . . 74.420000000000002 112.782 -175.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.437 ' OG ' ' HB2' ' A' ' 31' ' ' ARG . 27.3 m -74.82 -23.68 58.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.66 0.267 . . . . 51.43 111.548 -173.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 39' ' ' LYS . 69.5 m -80.39 -45.43 17.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.914 0.388 . . . . 50.100000000000001 111.544 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 81.8 mtp -61.79 -27.12 68.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.107 -0.497 . . . . 65.540000000000006 111.282 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -78.94 -26.15 43.6 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.054 0.39 . . . . 74.200000000000003 112.054 176.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.983 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -52.7 -63.05 1.27 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 114.323 1.231 . . . . 73.109999999999999 114.323 -169.68 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -46.56 -51.07 16.36 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.881 0.738 . . . . 72.140000000000001 111.587 -173.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.0 tttm 48.11 94.43 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.824 1.046 . . . . 72.230000000000004 113.824 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -90.0 -85.23 0.22 Allowed 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.812 -0.555 . . . . 73.299999999999997 110.105 170.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -116.45 15.24 15.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.186 -0.461 . . . . 72.299999999999997 109.978 176.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 66.3 m 72.58 -0.38 3.33 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.142 -0.935 . . . . 74.340000000000003 110.416 -173.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.23 150.99 20.92 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.919 -1.141 . . . . 63.329999999999998 107.919 175.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 175.55 98.83 0.11 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.27 -0.967 . . . . 55.409999999999997 113.202 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.618 HD11 HD23 ' A' ' 52' ' ' LEU . 3.0 tm? 74.61 127.34 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.62 0.724 . . . . 44.450000000000003 111.735 171.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.544 HE21 ' C ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -113.49 -174.55 2.48 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.623 -0.717 . . . . 63.409999999999997 109.928 177.426 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -82.88 -23.5 33.59 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 113.441 0.904 . . . . 63.329999999999998 113.441 -168.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -89.39 -27.94 20.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.311 0.577 . . . . 72.319999999999993 110.534 -178.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -87.36 -3.04 59.02 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.365 -0.834 . . . . 74.109999999999999 110.781 177.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.618 HD23 HD11 ' A' ' 47' ' ' LEU . 3.2 tm? -81.81 105.94 13.34 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.081 -0.711 . . . . 74.129999999999995 109.081 175.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.493 ' O ' HD23 ' A' ' 57' ' ' LEU . 77.9 p -135.04 174.02 11.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.98 -0.554 . . . . 72.109999999999999 110.466 -178.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.597 ' HG2' ' HD1' ' A' ' 103' ' ' PHE . 9.2 tm-20 -57.74 -38.74 75.87 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.22 -0.659 . . . . 74.349999999999994 109.22 171.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.85 -41.94 88.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.491 -0.777 . . . . 72.200000000000003 110.647 176.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.485 ' CE2' ' HG ' ' A' ' 47' ' ' LEU . 71.0 t80 -66.67 -44.66 81.24 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.877 -0.329 . . . . 72.420000000000002 110.653 179.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.545 HD13 HD22 ' A' ' 79' ' ' LEU . 4.3 mm? -54.59 -42.22 70.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.227 0.537 . . . . 70.0 110.101 176.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.448 ' HD3' ' N ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -66.86 -43.49 83.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.445 -0.798 . . . . 74.310000000000002 111.387 176.358 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.448 ' N ' ' HD3' ' A' ' 58' ' ' ARG . 31.4 t70 -69.04 -42.77 75.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.85 0.357 . . . . 71.329999999999998 111.169 -177.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -66.73 -32.57 73.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.297 -0.411 . . . . 74.420000000000002 109.932 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 50.3 tp -59.2 -49.68 76.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.901 -0.59 . . . . 62.509999999999998 110.204 173.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.97 -46.7 95.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.685 -0.688 . . . . 75.530000000000001 110.715 177.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -57.56 -37.79 73.72 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.018 -0.537 . . . . 73.219999999999999 110.601 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.735 ' HG2' ' HB2' ' A' ' 75' ' ' ALA . 8.4 tpp -62.2 -42.86 99.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.696 -0.684 . . . . 71.439999999999998 110.791 178.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -78.82 -41.0 31.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.94 -0.573 . . . . 71.510000000000005 110.543 -177.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -74.47 -65.04 0.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.993 -0.549 . . . . 74.030000000000001 111.561 -176.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.5 m -80.99 -49.84 10.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.247 -0.433 . . . . 71.319999999999993 111.778 -174.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 64' ' ' MET . 87.1 mt -77.75 -14.47 59.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.649 -0.25 . . . . 74.129999999999995 111.36 -174.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 60.6 m 65.15 27.69 12.32 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.645 0.59 . . . . 70.510000000000005 111.946 174.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -104.86 151.14 24.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.203 0.525 . . . . 73.540000000000006 111.198 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.41 165.97 23.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.454 -0.794 . . . . 73.239999999999995 111.708 -176.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -56.33 -39.01 72.12 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.692 -0.685 . . . . 74.010000000000005 111.179 -178.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.1 m -59.66 -41.0 89.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.766 0.317 . . . . 33.409999999999997 111.139 -178.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.3 m -72.99 -42.14 63.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.017 0.437 . . . . 60.240000000000002 110.211 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.735 ' HB2' ' HG2' ' A' ' 64' ' ' MET . . . -61.53 -47.61 84.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.879 -0.6 . . . . 72.129999999999995 111.262 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -57.79 -39.58 77.85 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.974 -0.557 . . . . 62.229999999999997 111.35 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -70.41 -38.97 74.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.202 -0.454 . . . . 71.120000000000005 111.234 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.407 ' O ' HG13 ' A' ' 82' ' ' ILE . 96.0 m-20 -65.57 -38.91 90.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.036 0.446 . . . . 61.130000000000003 110.314 176.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.596 HD23 HD12 ' A' ' 82' ' ' ILE . 98.3 mt -68.93 -33.14 73.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.749 -0.66 . . . . 75.450000000000003 110.369 177.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.581 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 16.0 t -62.79 -33.33 74.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.043 -0.526 . . . . 75.530000000000001 111.178 178.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.57 -27.27 58.52 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.777 -0.369 . . . . 74.310000000000002 110.92 175.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.596 HD12 HD23 ' A' ' 79' ' ' LEU . 60.9 mt -66.56 -46.39 86.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 73.109999999999999 111.044 178.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' A' ' 80' ' ' SER . 3.2 pptp? -59.06 -28.76 66.77 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.741 -0.208 . . . . 74.540000000000006 111.137 179.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.8 mm -61.05 -52.96 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 121.071 -0.252 . . . . 62.310000000000002 111.247 177.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.593 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 1.9 p90 -73.52 -32.95 64.52 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 120.584 -0.446 . . . . 74.230000000000004 110.472 -176.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.547 ' O ' HG13 ' A' ' 90' ' ' ILE . 73.2 t -64.19 -48.86 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.68 -0.489 . . . . 63.219999999999999 109.68 175.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 1.7 m -58.01 -38.6 76.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.594 -0.73 . . . . 75.209999999999994 111.169 176.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.5 -33.79 76.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.036 0.446 . . . . 63.210000000000001 111.198 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.54 -28.17 58.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.312 -0.404 . . . . 51.299999999999997 110.912 177.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.601 HG12 ' HB3' ' A' ' 95' ' ' MET . 75.5 mt -70.18 -41.63 78.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.469 -0.332 . . . . 72.409999999999997 111.058 -179.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -65.75 -34.5 78.34 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.842 -0.343 . . . . 72.430000000000007 111.074 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -89.59 -1.12 57.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.197 0.522 . . . . 74.030000000000001 110.932 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.03 17.84 73.61 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.83 -0.623 . . . . 71.230000000000004 113.912 172.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -83.05 -29.6 28.69 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.601 -0.889 . . . . 72.319999999999993 108.601 175.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.601 ' HB3' HG12 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -111.2 124.45 52.24 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 107.884 -1.154 . . . . 72.109999999999999 107.884 172.018 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -81.85 -37.18 27.36 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 113.404 0.89 . . . . 74.310000000000002 113.404 -168.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -139.3 147.42 41.59 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.45 -0.5 . . . . 74.230000000000004 111.22 -170.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.13 139.32 65.0 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 116.003 -0.544 . . . . 70.530000000000001 111.297 -178.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -96.08 -23.94 0.13 Allowed 'Trans proline' 0 N--CA 1.448 -1.191 0 C-N-CA 123.142 2.562 . . . . 72.120000000000005 111.889 170.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.721 ' HA ' ' HB3' ' A' ' 103' ' ' PHE . 98.0 m-85 -84.58 -15.25 46.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.995 -0.548 . . . . 74.329999999999998 110.84 -174.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.92 -38.49 91.15 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 109.325 -0.62 . . . . 71.5 109.325 175.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.7 -28.93 22.81 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 115.822 -0.626 . . . . 74.340000000000003 110.624 175.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.721 ' HB3' ' HA ' ' A' ' 100' ' ' PHE . 71.4 t80 . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 115.536 -0.756 . . . . 75.319999999999993 109.871 177.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.473 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 1.6 p90 . . . . . 0 N--CA 1.45 -0.466 0 CA-C-O 121.436 0.636 . . . . 72.239999999999995 111.551 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -94.69 -16.39 23.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.118 -0.947 . . . . 74.140000000000001 109.678 172.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 m -102.33 145.47 29.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.044 -0.98 . . . . 74.239999999999995 111.515 -171.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.488 ' O ' HG23 ' A' ' 14' ' ' VAL . 35.2 p90 -55.33 -42.52 73.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.103 -0.499 . . . . 72.120000000000005 110.851 177.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -66.5 -32.51 73.92 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.585 -0.28 . . . . 75.450000000000003 111.629 -178.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.473 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 1.1 m-20 -80.49 -34.69 35.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.652 -0.249 . . . . 73.319999999999993 111.085 179.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.496 ' CD2' ' HD1' ' A' ' 85' ' ' TYR . 65.8 t80 -60.0 -49.3 78.2 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.705 -0.48 . . . . 75.349999999999994 109.705 174.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 10' ' ' PHE . 84.9 t -58.65 -45.09 90.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.818 -0.628 . . . . 50.240000000000002 110.668 178.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.35 97.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.412 -0.358 . . . . 54.130000000000003 111.421 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.87 -44.32 73.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 120.757 0.313 . . . . 75.25 110.852 -179.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -64.82 -34.43 78.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.518 0.675 . . . . 75.219999999999999 109.801 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.483 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 30.4 ttm -71.19 -26.75 63.09 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.184 -0.916 . . . . 51.229999999999997 111.231 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -50.87 -48.7 60.17 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.72 0.295 . . . . 73.230000000000004 111.414 175.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.9 m -69.67 -33.63 72.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.37 0.605 . . . . 43.0 110.24 177.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.483 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 80.3 t80 -66.96 -30.58 70.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.6 -0.727 . . . . 75.310000000000002 110.493 177.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.533 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 31.9 t -71.15 -14.48 62.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.789 -0.641 . . . . 75.319999999999993 111.158 -178.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -63.02 -31.8 73.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.329 0.585 . . . . 71.340000000000003 109.543 173.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -105.78 13.32 29.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.467 -0.788 . . . . 70.239999999999995 110.141 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.657 ' HG ' HG23 ' A' ' 29' ' ' THR . 13.7 tp -124.75 142.51 51.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.169 -0.469 . . . . 62.509999999999998 110.061 -176.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.53 154.97 41.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.78 0.324 . . . . 73.439999999999998 110.287 173.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.7 mt -65.88 -34.53 70.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.895 -0.593 . . . . 74.420000000000002 110.183 178.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.3 -58.82 12.38 Favored Glycine 0 CA--C 1.518 0.27 0 CA-C-N 115.836 -0.62 . . . . 52.329999999999998 112.594 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.657 HG23 ' HG ' ' A' ' 25' ' ' LEU . 1.8 t -66.0 -42.5 89.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.474 0.137 . . . . 55.130000000000003 111.011 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -51.5 -53.14 40.64 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 111.633 0.235 . . . . 72.209999999999994 111.633 176.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.913 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 36.2 ptt180 -71.48 -20.57 62.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.45 0.167 . . . . 73.439999999999998 111.301 -175.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -66.68 -24.71 66.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.156 0.503 . . . . 55.329999999999998 110.345 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -132.36 39.52 3.38 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.994 -0.743 . . . . 65.209999999999994 108.994 176.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.913 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 78.1 tttt -72.42 -69.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.798 -1.092 . . . . 52.43 111.399 -175.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.9 p -93.28 -71.87 0.63 Allowed 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 120.929 -0.308 . . . . 70.409999999999997 111.04 -177.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 61.2 m 44.81 -86.78 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.868 0.867 . . . . 73.450000000000003 112.818 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.621 ' HB3' HD21 ' A' ' 78' ' ' ASN . 22.8 ptt? -70.96 -26.59 63.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 63.140000000000001 111.15 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -75.43 -29.66 59.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.934 0.873 . . . . 74.299999999999997 109.635 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -36.35 24.31 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.276 -1.329 . . . . 51.409999999999997 111.416 -179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.513 ' HZ ' ' HE1' ' A' ' 63' ' ' TYR . 14.7 t80 -73.18 -28.67 62.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.117 -0.492 . . . . 74.230000000000004 109.952 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.494 ' HD2' ' O ' ' A' ' 40' ' ' PHE . 5.2 mptp? -139.23 100.21 3.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.84 -0.618 . . . . 75.329999999999998 110.709 -178.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -64.88 -68.19 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.619 0.723 . . . . 73.049999999999997 109.328 175.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -123.6 126.08 45.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.0 -1.0 . . . . 70.510000000000005 108.937 176.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.9 p -146.35 -85.92 0.11 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.414 -0.357 . . . . 64.439999999999998 111.087 -172.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.462 ' HB2' ' H ' ' A' ' 46' ' ' GLY . 1.5 pm0 43.29 -153.94 0.02 OUTLIER 'General case' 0 C--N 1.346 0.44 0 C-N-CA 123.513 0.725 . . . . 72.230000000000004 112.559 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.462 ' H ' ' HB2' ' A' ' 45' ' ' GLU . . . 92.04 -13.44 66.96 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.465 -0.874 . . . . 52.140000000000001 111.603 -177.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.446 HD22 ' C ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -87.29 156.22 19.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.909 0.385 . . . . 61.039999999999999 110.21 176.303 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -110.72 -178.97 3.62 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.728 -0.669 . . . . 74.109999999999999 111.641 -173.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.423 ' H ' ' HD1' ' A' ' 49' ' ' PHE . 11.0 p90 -67.55 -53.23 30.16 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.001 -1.0 . . . . 73.310000000000002 111.414 -175.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -85.99 3.06 43.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.414 0.625 . . . . 72.340000000000003 109.72 -176.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -81.34 -31.06 33.61 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.914 -0.772 . . . . 74.319999999999993 108.914 173.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.614 HD12 ' HG3' ' A' ' 99' ' ' PRO . 0.2 OUTLIER -74.15 85.48 1.86 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.442 -0.799 . . . . 71.439999999999998 109.077 177.282 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.438 ' O ' HD23 ' A' ' 57' ' ' LEU . 6.1 p -133.71 -177.46 4.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.757 -0.656 . . . . 53.219999999999999 111.354 -174.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -52.66 -43.74 65.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.021 -0.536 . . . . 75.409999999999997 110.637 177.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -56.96 -39.05 73.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.84 -0.618 . . . . 64.049999999999997 111.247 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -69.98 -51.83 29.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 74.420000000000002 110.681 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 53' ' ' THR . 4.3 mm? -59.49 -37.01 77.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.961 -0.563 . . . . 74.109999999999999 110.55 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.468 ' O ' HG12 ' A' ' 62' ' ' ILE . 24.6 ttt180 -58.82 -52.71 64.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.489 -0.778 . . . . 74.340000000000003 110.582 178.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -71.08 -42.3 69.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 74.140000000000001 111.489 -176.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.457 ' HD2' HD21 ' A' ' 79' ' ' LEU . 61.3 t80 -64.92 -37.7 88.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.357 -0.383 . . . . 75.120000000000005 110.167 -178.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.5 tp -59.5 -52.8 64.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.883 -0.599 . . . . 73.209999999999994 110.061 175.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 58' ' ' ARG . 46.4 mm -59.03 -44.32 91.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.702 -0.681 . . . . 62.43 111.464 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.513 ' HE1' ' HZ ' ' A' ' 40' ' ' PHE . 45.0 t80 -60.57 -43.49 97.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.31 0.576 . . . . 71.510000000000005 110.467 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.546 ' HG3' HD12 ' A' ' 68' ' ' LEU . 9.2 ttp -69.15 -42.21 76.25 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.464 -0.789 . . . . 72.439999999999998 111.331 -177.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.749 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -75.85 -15.79 60.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.459 -0.337 . . . . 71.439999999999998 111.876 -177.061 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -99.15 -63.41 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.071 0.463 . . . . 51.43 111.26 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.3 m -75.66 -43.4 47.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.839 -0.618 . . . . 75.140000000000001 112.082 -172.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.546 HD12 ' HG3' ' A' ' 64' ' ' MET . 66.1 mt -78.41 0.24 26.5 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.943 -0.303 . . . . 73.109999999999999 111.467 -175.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 58.2 m 62.18 28.3 16.99 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.956 -0.565 . . . . 61.009999999999998 112.221 171.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.749 ' O ' ' HA ' ' A' ' 65' ' ' LYS . 37.6 m-80 -121.43 151.36 40.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.834 -0.432 . . . . 53.43 109.834 175.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.26 166.67 21.15 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.744 0.307 . . . . 72.430000000000007 110.909 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -58.47 -35.07 71.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.073 -0.512 . . . . 64.129999999999995 111.184 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.8 m -56.49 -38.45 71.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.854 0.359 . . . . 44.219999999999999 110.822 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.7 m -80.42 -43.33 21.14 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.151 0.501 . . . . 61.439999999999998 110.198 177.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.78 -35.86 75.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.498 -0.774 . . . . 65.120000000000005 111.882 -177.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -60.97 -32.96 72.49 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.405 -0.361 . . . . 63.43 111.429 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -68.14 -38.7 82.45 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.237 -0.282 . . . . 74.019999999999996 110.237 176.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.621 HD21 ' HB3' ' A' ' 37' ' ' MET . 0.2 OUTLIER -70.43 -24.49 62.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.356 0.598 . . . . 72.519999999999996 109.891 179.058 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.457 HD21 ' HD2' ' A' ' 60' ' ' TYR . 87.5 mt -81.49 -33.27 32.03 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.168 0.509 . . . . 52.530000000000001 110.307 175.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.8 m -68.37 -23.35 64.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.811 -0.631 . . . . 52.340000000000003 111.907 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.8 p -73.46 -37.12 65.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.013 0.435 . . . . 65.140000000000001 110.277 175.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.36 -32.39 57.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.971 -0.558 . . . . 71.310000000000002 109.713 174.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 87' ' ' SER . 2.2 tmtp? -61.2 -30.78 70.63 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 115.885 -0.598 . . . . 74.439999999999998 110.348 177.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 51.4 mm -65.64 -38.38 82.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 120.863 0.363 . . . . 71.409999999999997 110.171 176.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.496 ' HD1' ' CD2' ' A' ' 13' ' ' PHE . 68.4 t80 -68.84 -49.78 55.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 74.109999999999999 110.185 177.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.622 ' O ' HG13 ' A' ' 90' ' ' ILE . 86.7 t -60.19 -46.1 95.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.578 -0.737 . . . . 73.030000000000001 110.923 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.622 ' HA ' HD12 ' A' ' 90' ' ' ILE . 0.4 OUTLIER -59.75 -39.27 84.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.088 -0.505 . . . . 75.019999999999996 111.743 -179.74 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.87 92.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.279 0.561 . . . . 74.340000000000003 110.144 176.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.583 ' HA ' ' HA3' ' A' ' 93' ' ' GLY . . . -71.08 -21.89 62.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.325 -0.852 . . . . 61.43 111.391 178.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 87' ' ' SER . 97.4 mt -73.51 -41.92 56.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.522 -0.308 . . . . 74.019999999999996 111.127 178.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -72.61 -47.58 46.63 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 120.729 -0.388 . . . . 74.530000000000001 110.774 -175.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -153.64 67.45 0.76 Allowed 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 123.527 0.517 . . . . 72.230000000000004 110.193 177.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.583 ' HA3' ' HA ' ' A' ' 89' ' ' ALA . . . -138.11 -83.98 0.12 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.52 -0.848 . . . . 73.219999999999999 112.538 177.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -169.28 -16.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.046 0.45 . . . . 75.109999999999999 110.715 -173.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 99.3 mmm -82.3 137.98 34.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.926 -0.579 . . . . 70.329999999999998 110.955 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -78.58 -48.94 14.17 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.799 -0.637 . . . . 73.219999999999999 109.344 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -148.56 178.15 8.87 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.622 -0.881 . . . . 63.409999999999997 108.622 175.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.438 ' HB3' HD11 ' A' ' 90' ' ' ILE . 6.3 p-10 -89.82 146.52 35.53 Favored Pre-proline 0 N--CA 1.441 -0.883 0 N-CA-C 110.003 -0.369 . . . . 75.140000000000001 110.003 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.614 ' HG3' HD12 ' A' ' 52' ' ' LEU . 35.8 Cg_endo -65.05 -18.25 61.4 Favored 'Trans proline' 0 N--CA 1.467 -0.085 0 C-N-CA 122.649 2.233 . . . . 74.109999999999999 111.874 177.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.453 ' HZ ' ' HB3' ' A' ' 79' ' ' LEU . 76.1 m-85 -76.4 -18.86 58.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.0 -0.545 . . . . 75.150000000000006 110.673 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.519 ' C ' ' HD2' ' A' ' 101' ' ' LYS . 0.6 OUTLIER -68.64 -36.98 79.31 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 121.739 0.781 . . . . 73.239999999999995 108.997 175.805 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -103.81 6.58 36.75 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.179 -0.919 . . . . 74.25 110.173 -175.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 30.1 t80 . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.431 -0.804 . . . . 73.409999999999997 109.862 -177.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 . . . . . 0 N--CA 1.437 -1.091 0 N-CA-C 107.865 -1.161 . . . . 64.219999999999999 107.865 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -22.86 66.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.938 0.399 . . . . 70.400000000000006 111.746 -176.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.7 t -140.3 152.39 45.82 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.19 -0.459 . . . . 50.509999999999998 110.357 175.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.613 ' O ' HG23 ' A' ' 14' ' ' VAL . 92.3 m-85 -65.84 -28.4 68.95 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 109.546 -0.538 . . . . 73.310000000000002 109.546 175.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -56.78 -39.64 74.46 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.917 -0.583 . . . . 72.209999999999994 110.277 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.92 -38.07 79.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.442 -0.799 . . . . 64.349999999999994 110.897 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -70.23 -45.44 66.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.947 -0.57 . . . . 62.140000000000001 110.215 177.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 10' ' ' PHE . 96.0 t -60.28 -46.96 94.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.023 -0.535 . . . . 71.430000000000007 110.778 178.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.535 ' HA ' ' HB3' ' A' ' 18' ' ' MET . . . -56.66 -33.31 66.24 Favored 'General case' 0 C--N 1.332 -0.169 0 O-C-N 123.416 0.448 . . . . 71.219999999999999 111.8 -177.029 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 t -61.23 -46.12 91.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.849 0.357 . . . . 74.430000000000007 110.556 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -77.94 -38.45 45.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.124 0.487 . . . . 52.140000000000001 110.271 176.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.592 ' SD ' ' HE1' ' A' ' 21' ' ' TYR . 52.4 tpp -57.33 -42.61 82.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.296 -0.865 . . . . 71.209999999999994 112.092 -175.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.583 ' HD2' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -62.11 -21.41 64.97 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 111.787 0.291 . . . . 71.540000000000006 111.787 -175.622 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.5 m -58.48 -60.24 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.61 -0.268 . . . . 71.329999999999998 111.171 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.592 ' HE1' ' SD ' ' A' ' 18' ' ' MET . 1.4 p90 -83.08 -26.23 31.27 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 120.771 -0.372 . . . . 75.140000000000001 110.464 -178.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.618 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 49.3 m -68.84 -18.05 64.1 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.01 0.433 . . . . 74.430000000000007 111.009 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 19' ' ' LYS . 2.5 tmt_? -64.42 -25.34 67.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.888 -0.597 . . . . 72.209999999999994 109.441 176.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -105.77 21.88 16.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.022 -0.535 . . . . 63.299999999999997 110.659 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.618 ' HG ' ' HA ' ' A' ' 22' ' ' SER . 66.5 mt -103.16 165.73 10.85 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 109.673 -0.492 . . . . 62.310000000000002 109.673 175.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -80.76 165.78 21.6 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.001 -0.545 . . . . 73.450000000000003 109.978 172.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.3 mm -59.18 -43.4 89.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.008 -0.542 . . . . 62.210000000000001 110.445 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.31 -35.03 91.01 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.9 -0.667 . . . . 51.240000000000002 112.415 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.55 HG22 HD13 ' A' ' 25' ' ' LEU . 33.9 m -76.02 -46.38 29.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.785 0.326 . . . . 61.43 110.874 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.454 ' CD1' ' HE2' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -57.85 -49.24 77.35 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.945 -0.391 . . . . 54.240000000000002 109.945 176.058 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.629 ' HA ' ' CG ' ' A' ' 34' ' ' LYS . 46.4 ttt180 -67.62 -21.37 65.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.129 -0.487 . . . . 72.329999999999998 111.472 -178.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -59.85 -23.07 63.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.034 -0.53 . . . . 75.150000000000006 111.077 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -132.16 39.84 3.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.202 0.525 . . . . 73.430000000000007 110.698 177.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.629 ' CG ' ' HA ' ' A' ' 31' ' ' ARG . 42.8 mmtt -93.02 -71.02 0.67 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.81 -0.632 . . . . 72.310000000000002 111.181 176.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.3 m -72.0 -20.75 61.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.735 -0.666 . . . . 75.420000000000002 112.129 -171.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.2 m -54.15 -58.45 7.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.799 0.333 . . . . 71.140000000000001 111.444 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 83.8 mtp -67.57 -25.45 65.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.973 0.416 . . . . 43.539999999999999 110.964 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.18 -43.86 73.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.904 -0.589 . . . . 74.209999999999994 111.423 -174.102 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -81.47 -13.25 58.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.451 -0.34 . . . . 74.120000000000005 111.725 -175.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -81.01 4.14 20.68 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.14 0.422 . . . . 72.140000000000001 112.14 -176.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.578 ' HD3' ' C ' ' A' ' 41' ' ' LYS . 10.6 tmtt? -88.66 93.64 9.63 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.566 0.698 . . . . 75.109999999999999 110.032 -178.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -97.72 -64.9 1.0 Allowed 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.895 -1.048 . . . . 75.25 108.641 164.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -138.19 112.3 8.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.544 -0.753 . . . . 74.109999999999999 110.977 178.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.6 p -91.62 79.5 5.45 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.21 -0.663 . . . . 73.310000000000002 109.21 172.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -70.43 178.83 2.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.901 -1.045 . . . . 71.450000000000003 111.073 -172.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -74.48 84.94 0.74 Allowed Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 116.142 -0.481 . . . . 74.219999999999999 112.146 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.577 HD21 ' HB2' ' A' ' 52' ' ' LEU . 9.8 tt -85.45 108.86 18.08 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.431 -0.385 . . . . 70.140000000000001 110.459 178.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.435 ' H ' ' HG3' ' A' ' 51' ' ' GLU . 2.5 mp0 -82.32 176.85 9.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 73.409999999999997 110.563 176.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -58.91 -40.5 84.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.932 -0.576 . . . . 63.439999999999998 111.835 -177.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -90.84 8.81 32.99 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.074 0.464 . . . . 72.239999999999995 110.808 -177.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.435 ' HG3' ' H ' ' A' ' 48' ' ' GLN . 7.8 mm-40 -89.98 -24.87 21.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.399 -0.593 . . . . 74.120000000000005 109.399 174.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.577 ' HB2' HD21 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -88.34 88.47 7.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.697 -0.853 . . . . 64.530000000000001 108.697 175.448 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.459 ' O ' HD23 ' A' ' 57' ' ' LEU . 72.7 p -124.07 177.25 5.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.328 -0.396 . . . . 63.130000000000003 111.239 -175.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.56 -37.14 82.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.976 -0.557 . . . . 73.450000000000003 109.658 173.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -60.89 -44.33 97.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.577 -0.738 . . . . 71.040000000000006 110.149 177.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -59.83 -51.54 69.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.885 -0.598 . . . . 73.430000000000007 110.561 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.547 HD13 HD22 ' A' ' 79' ' ' LEU . 4.2 mm? -58.23 -43.15 87.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.885 0.374 . . . . 72.340000000000003 110.875 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.451 ' O ' HG12 ' A' ' 62' ' ' ILE . 53.8 ttt180 -64.82 -49.86 68.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.723 -0.671 . . . . 73.219999999999999 111.28 -178.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -69.69 -38.69 77.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.305 -0.407 . . . . 72.329999999999998 111.037 -176.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -64.94 -37.2 86.86 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.615 -0.513 . . . . 74.109999999999999 109.615 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.2 tp -61.27 -52.44 64.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.466 -0.788 . . . . 73.340000000000003 110.504 175.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.451 HG12 ' O ' ' A' ' 58' ' ' ARG . 49.5 mm -60.09 -44.37 94.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.776 -0.647 . . . . 74.120000000000005 110.984 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -58.65 -45.13 89.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.041 0.448 . . . . 74.129999999999995 110.638 178.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.736 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 30.5 ttm -65.08 -49.72 68.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.423 0.63 . . . . 74.140000000000001 110.615 -179.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -58.22 -51.05 71.37 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.953 -1.021 . . . . 74.439999999999998 111.045 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -81.45 -64.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.809 0.67 . . . . 73.540000000000006 112.809 -173.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 62.3 m -73.37 -42.7 61.86 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.833 0.309 . . . . 73.310000000000002 111.833 -171.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 64' ' ' MET . 84.3 mt -84.52 -15.43 45.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.744 0.306 . . . . 70.129999999999995 110.558 -179.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 33.0 t 62.34 42.24 9.36 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.525 -0.761 . . . . 73.420000000000002 110.957 178.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.736 ' HB2' ' HG2' ' A' ' 64' ' ' MET . 4.1 m-20 -91.66 147.24 23.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.323 -0.399 . . . . 53.509999999999998 110.08 174.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.74 166.8 22.87 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.093 -0.503 . . . . 60.310000000000002 110.754 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -53.8 -52.98 58.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.079 -0.51 . . . . 63.219999999999999 111.555 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.1 m -65.69 -30.57 71.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.886 0.374 . . . . 74.150000000000006 111.029 -177.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.5 m -69.35 -40.63 77.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.217 0.532 . . . . 74.129999999999995 110.253 178.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.662 ' HA ' ' SD ' ' A' ' 64' ' ' MET . . . -71.01 -42.22 69.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.849 -0.614 . . . . 63.229999999999997 110.701 178.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -57.71 -47.3 82.77 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.723 -0.672 . . . . 52.219999999999999 111.375 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -67.63 -29.32 68.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.648 0.261 . . . . 73.409999999999997 110.961 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -70.71 -49.7 44.17 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 120.967 0.413 . . . . 70.519999999999996 110.161 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.547 HD22 HD13 ' A' ' 57' ' ' LEU . 90.3 mt -62.0 -29.99 70.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.833 -0.621 . . . . 74.209999999999994 110.68 178.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.542 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 75.7 m -55.1 -47.59 74.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.864 -0.607 . . . . 63.049999999999997 111.6 176.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.3 p -61.71 -36.39 80.8 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.144 0.497 . . . . 73.230000000000004 110.903 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.422 HG23 ' HE2' ' A' ' 85' ' ' TYR . 65.1 mt -67.76 -52.65 37.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.679 -0.691 . . . . 62.25 110.515 178.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.542 ' HG3' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -62.74 -29.27 70.56 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.525 -0.307 . . . . 64.310000000000002 111.218 -178.366 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 80' ' ' SER . 68.3 mt -61.68 -51.18 75.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 121.186 -0.205 . . . . 63.009999999999998 111.073 175.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.422 ' HE2' HG23 ' A' ' 82' ' ' ILE . 1.2 p90 -73.24 -34.83 66.09 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 120.4 -0.52 . . . . 71.209999999999994 110.557 -176.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.619 ' O ' HG13 ' A' ' 90' ' ' ILE . 77.5 t -63.93 -44.73 98.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.811 -0.44 . . . . 74.319999999999993 109.811 175.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.637 ' HA ' HD12 ' A' ' 90' ' ' ILE . 3.2 m -61.62 -37.8 85.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.537 -0.756 . . . . 61.32 111.334 178.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.05 -36.82 84.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.109 0.48 . . . . 43.109999999999999 110.188 175.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.2 -22.22 64.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.58 -0.736 . . . . 64.219999999999999 111.305 177.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.637 HD12 ' HA ' ' A' ' 87' ' ' SER . 69.1 mt -77.94 -30.6 16.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.004 0.43 . . . . 72.099999999999994 110.525 177.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -69.09 -44.51 72.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 64.299999999999997 111.152 -176.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -157.38 60.35 0.5 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.28 0.562 . . . . 61.420000000000002 110.06 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -138.13 -99.33 0.49 Allowed Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.396 -0.907 . . . . 74.530000000000001 112.516 178.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -149.69 -29.86 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.898 0.38 . . . . 73.209999999999994 110.9 -173.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 93.4 mmm -62.45 126.3 26.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.49 . . . . 72.319999999999993 110.709 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -59.06 -51.85 68.29 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.788 0.804 . . . . 72.439999999999998 111.18 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -167.06 158.93 12.69 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.026 -1.443 . . . . 73.140000000000001 108.505 -157.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -81.36 142.16 50.19 Favored Pre-proline 0 N--CA 1.444 -0.747 0 CA-C-O 121.445 0.64 . . . . 52.329999999999998 111.963 -173.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.564 ' HG3' HD12 ' A' ' 52' ' ' LEU . 94.9 Cg_endo -83.68 -2.48 10.4 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 123.42 2.746 . . . . 34.32 110.543 171.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.708 ' HA ' ' HD2' ' A' ' 103' ' ' PHE . 7.4 t80 -94.02 9.1 38.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.307 -1.315 . . . . 74.040000000000006 109.764 -178.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.51 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 17.3 mmtt -48.16 -51.68 23.98 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 114.779 -1.1 . . . . 71.219999999999999 112.254 -176.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.95 -18.26 37.85 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.283 -0.417 . . . . 74.200000000000003 111.508 -175.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.708 ' HD2' ' HA ' ' A' ' 100' ' ' PHE . 99.2 m-85 . . . . . 0 C--N 1.32 -0.686 0 N-CA-C 109.203 -0.665 . . . . 63.439999999999998 109.203 176.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptp . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 121.049 0.452 . . . . 61.299999999999997 110.78 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -139.76 91.19 2.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.52 0.676 . . . . 65.530000000000001 110.515 177.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -136.39 87.72 21.7 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.478 -0.783 . . . . 72.329999999999998 110.573 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -65.02 85.9 0.18 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.962 2.441 . . . . 64.010000000000005 112.198 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m 59.05 75.14 0.41 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.417 -0.811 . . . . 61.530000000000001 111.726 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -87.4 6.96 31.22 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.95 0.881 . . . . 60.119999999999997 110.261 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.628 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -107.76 113.55 26.89 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.551 -1.204 . . . . 72.519999999999996 111.118 -178.403 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -93.95 -18.65 21.69 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.202 -0.908 . . . . 74.5 110.95 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.814 ' HA ' ' HA2' ' A' ' 46' ' ' GLY . 23.2 t -111.75 152.31 27.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.145 -0.479 . . . . 75.510000000000005 111.273 -173.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.498 ' O ' HG23 ' A' ' 14' ' ' VAL . 31.0 p90 -54.78 -41.99 71.2 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.769 -0.651 . . . . 74.420000000000002 111.703 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.708 ' HB2' ' HB3' ' A' ' 37' ' ' MET . 3.1 p-80 -72.34 -25.23 61.46 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.01 0.433 . . . . 72.239999999999995 110.9 -176.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.628 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 3.9 m-20 -80.02 -37.01 34.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.301 -0.409 . . . . 72.329999999999998 110.395 174.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.557 ' CD1' ' HB2' ' A' ' 85' ' ' TYR . 19.5 t80 -62.01 -49.52 75.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.738 -0.664 . . . . 74.349999999999994 109.775 178.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.7 HG22 ' HB3' ' A' ' 85' ' ' TYR . 92.0 t -59.46 -46.9 92.4 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.303 0 CA-C-N 115.765 -0.652 . . . . 73.129999999999995 110.598 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.58 -33.2 67.93 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.933 0.345 . . . . 55.420000000000002 111.933 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.414 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 35.6 t -83.67 -51.12 7.54 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 121.066 -0.254 . . . . 74.140000000000001 111.222 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -65.74 -28.15 68.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.677 0.275 . . . . 70.349999999999994 110.691 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 50.1 tpp -52.14 -28.32 17.54 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 115.787 -0.642 . . . . 63.439999999999998 111.881 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.464 ' HA ' ' OG ' ' A' ' 22' ' ' SER . 22.2 ptmt -50.77 -30.39 13.96 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.821 0.343 . . . . 73.400000000000006 111.485 178.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 m -71.45 -24.34 62.0 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.279 0.561 . . . . 74.450000000000003 110.683 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -101.72 -33.52 9.82 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.873 -0.603 . . . . 74.420000000000002 111.361 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.464 ' OG ' ' HA ' ' A' ' 19' ' ' LYS . 38.1 p -66.79 -24.17 66.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.017 0.436 . . . . 73.140000000000001 111.026 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -17.81 64.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.429 0.633 . . . . 71.030000000000001 109.817 175.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 -127.31 23.27 6.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.538 -0.755 . . . . 73.129999999999995 110.463 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 25' ' ' LEU . 9.3 tp -124.18 172.62 8.9 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.179 -1.045 . . . . 71.530000000000001 108.179 177.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.448 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -93.16 167.67 11.62 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 109.549 -0.538 . . . . 74.310000000000002 109.549 169.746 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.658 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 50.0 mm -77.41 -27.43 15.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 116.3 -0.409 . . . . 73.439999999999998 110.764 -173.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.25 -59.22 7.86 Favored Glycine 0 C--N 1.331 0.285 0 CA-C-N 116.079 -0.509 . . . . 61.210000000000001 113.543 -175.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.438 HG22 ' OE2' ' A' ' 26' ' ' GLU . 10.3 t -72.65 -41.4 65.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.99 0.395 . . . . 61.530000000000001 111.051 -178.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -50.09 -53.67 25.65 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 111.974 0.361 . . . . 73.209999999999994 111.974 176.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.658 ' HG2' ' O ' ' A' ' 27' ' ' ILE . 2.1 ptm180 -67.84 -28.92 67.97 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.662 0.268 . . . . 72.120000000000005 111.504 -176.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -70.67 -42.59 70.56 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.912 -0.315 . . . . 75.019999999999996 111.192 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -77.51 -25.63 50.47 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.647 -0.421 . . . . 73.310000000000002 110.396 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -58.88 -49.38 78.0 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.677 -0.692 . . . . 72.239999999999995 111.334 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.5 m -67.85 -36.14 79.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.102 0.477 . . . . 62.340000000000003 110.936 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.6 m -64.16 -55.68 20.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.655 . . . . 73.510000000000005 111.7 -176.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.708 ' HB3' ' HB2' ' A' ' 11' ' ' HIS . 73.0 mtm -60.9 -26.4 67.42 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.733 0.642 . . . . 74.219999999999999 112.733 -174.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.418 ' HD3' ' HA ' ' A' ' 38' ' ' ARG . 13.6 tpp180 -71.27 -51.33 25.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.88 0.371 . . . . 53.130000000000003 111.216 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -79.89 -6.42 57.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.149 0.499 . . . . 61.310000000000002 111.08 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.28 4.32 2.32 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.673 -0.694 . . . . 74.120000000000005 111.94 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -77.76 17.96 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.228 0.455 . . . . 75.519999999999996 112.228 -176.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.406 ' HG3' ' CD1' ' A' ' 43' ' ' TYR . 9.3 pt-20 -70.35 -36.3 74.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.707 0.289 . . . . 72.430000000000007 110.791 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.406 ' CD1' ' HG3' ' A' ' 42' ' ' GLU . 46.4 m-85 -83.86 -19.22 35.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.453 -0.34 . . . . 74.420000000000002 110.847 178.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.6 m 61.52 -164.42 0.24 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.751 -0.658 . . . . 63.299999999999997 110.945 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 72.1 158.91 0.2 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.369 0.604 . . . . 73.400000000000006 111.638 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.814 ' HA2' ' HA ' ' A' ' 9' ' ' SER . . . -89.84 -46.54 4.2 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.792 -0.64 . . . . 74.040000000000006 112.803 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.0 tt 72.27 108.61 0.07 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.155 0.582 . . . . 65.230000000000004 110.405 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -97.47 -168.96 1.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.744 -0.662 . . . . 53.43 111.533 -176.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.698 ' HE1' ' HB1' ' A' ' 89' ' ' ALA . 56.1 m-85 -57.13 -38.73 73.89 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.456 -0.793 . . . . 51.140000000000001 111.546 -177.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -80.05 -20.76 44.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.323 -0.399 . . . . 63.130000000000003 111.922 -172.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -86.46 -16.34 37.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.111 0.482 . . . . 73.25 110.466 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.49 ' CD1' ' HG3' ' A' ' 99' ' ' PRO . 1.2 tm? -85.21 97.21 9.78 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.687 -0.688 . . . . 52.229999999999997 109.417 178.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.474 ' O ' HD23 ' A' ' 57' ' ' LEU . 40.2 p -120.06 166.78 12.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.349 -0.387 . . . . 71.400000000000006 111.38 -177.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.57 ' HB3' ' HB2' ' A' ' 103' ' ' PHE . 2.6 mp0 -62.79 -38.75 91.86 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.129 -0.487 . . . . 63.140000000000001 109.925 176.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -67.79 -33.13 74.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.947 -0.569 . . . . 75.25 110.409 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -62.37 -51.0 69.36 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.953 -0.388 . . . . 64.400000000000006 109.953 175.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 53' ' ' THR . 4.5 mm? -58.35 -39.26 79.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.976 -0.556 . . . . 72.109999999999999 110.569 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 58' ' ' ARG . 28.8 ttt-85 -62.19 -53.79 50.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.8 -0.636 . . . . 53.229999999999997 111.128 176.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -63.4 -43.15 98.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 42.520000000000003 111.211 -176.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.7 -28.95 62.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.305 -0.407 . . . . 74.230000000000004 110.818 -177.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 58.5 tp -58.56 -52.19 66.69 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.21 -0.663 . . . . 60.350000000000001 109.21 171.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.428 ' O ' ' HB3' ' A' ' 66' ' ' LYS . 70.8 mt -59.7 -48.99 85.44 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.383 0 CA-C-N 115.204 -0.907 . . . . 55.130000000000003 110.535 177.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -55.74 -45.37 78.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.04 0.448 . . . . 60.210000000000001 111.663 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.488 ' O ' ' HB2' ' A' ' 68' ' ' LEU . 16.2 ttp -69.81 -40.79 75.71 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.136 0.493 . . . . 73.439999999999998 111.474 -176.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.546 ' O ' ' HA ' ' A' ' 69' ' ' CYS . 86.1 tttt -73.91 -40.78 62.89 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.822 -0.626 . . . . 64.319999999999993 111.36 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 62' ' ' ILE . 67.1 tttt -85.41 -64.65 1.12 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.957 -0.565 . . . . 63.399999999999999 112.181 -174.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.5 m -74.08 -48.54 29.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.348 -0.387 . . . . 73.120000000000005 111.449 -173.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 64' ' ' MET . 89.9 mt -75.56 -26.68 58.18 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.019 -0.363 . . . . 64.010000000000005 110.019 178.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 8.5 t 63.91 85.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.423 -0.808 . . . . 63.409999999999997 111.169 177.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -139.56 166.54 24.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.532 -0.758 . . . . 71.540000000000006 109.997 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.9 162.95 25.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.457 -0.338 . . . . 65.109999999999999 110.735 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -59.79 -40.38 88.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.367 -0.379 . . . . 74.109999999999999 110.827 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.7 m -62.48 -42.01 99.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.871 0.367 . . . . 72.099999999999994 110.581 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.7 m -65.09 -44.76 87.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.955 -0.566 . . . . 72.120000000000005 110.394 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.81 -49.36 70.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.641 -0.709 . . . . 74.120000000000005 111.577 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -61.83 -39.09 90.58 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.929 0.395 . . . . 70.519999999999996 110.557 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -65.08 -43.91 90.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 75.239999999999995 111.567 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -69.21 -37.03 77.88 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.038 0.447 . . . . 70.049999999999997 110.938 -178.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.425 HD22 HD13 ' A' ' 57' ' ' LEU . 50.5 mt -69.58 -37.67 77.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.319 -0.401 . . . . 64.120000000000005 111.017 177.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.546 ' O ' HG12 ' A' ' 84' ' ' ILE . 13.0 p -71.85 -14.24 61.9 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.965 -0.294 . . . . 70.209999999999994 110.602 177.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.597 HG22 HG11 ' A' ' 14' ' ' VAL . 42.3 m -71.64 -40.52 69.64 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.381 -0.6 . . . . 65.319999999999993 109.381 173.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.55 HG23 ' HE2' ' A' ' 85' ' ' TYR . 94.7 mt -67.32 -40.41 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.702 -0.681 . . . . 54.509999999999998 109.205 172.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 87' ' ' SER . 14.0 tmtt? -55.44 -29.84 59.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.361 -0.836 . . . . 73.430000000000007 110.545 177.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.546 HG12 ' O ' ' A' ' 80' ' ' SER . 34.0 mm -57.04 -55.49 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.66 -0.245 . . . . 62.109999999999999 111.555 177.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.7 ' HB3' HG22 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -71.77 -33.16 68.39 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 120.488 -0.485 . . . . 72.120000000000005 109.909 -176.559 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.524 ' O ' HG13 ' A' ' 90' ' ' ILE . 74.6 t -59.92 -51.01 77.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.927 -0.579 . . . . 75.109999999999999 109.858 175.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.469 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 0.5 OUTLIER -62.62 -36.59 83.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.399 -0.819 . . . . 71.239999999999995 111.649 179.629 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.74 -43.42 98.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.18 0.514 . . . . 74.329999999999998 110.129 174.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.698 ' HB1' ' HE1' ' A' ' 49' ' ' PHE . . . -67.59 -22.58 65.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.435 -0.802 . . . . 63.149999999999999 111.085 177.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 86' ' ' VAL . 91.9 mt -81.4 -43.28 20.16 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-O 121.079 0.466 . . . . 70.519999999999996 110.781 175.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -68.54 -44.4 74.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.847 -0.615 . . . . 72.239999999999995 112.029 -172.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -139.29 19.08 2.58 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.798 0.332 . . . . 72.019999999999996 111.165 -177.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -105.89 -111.62 3.61 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.314 -0.946 . . . . 54.25 112.63 -177.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.12 -3.34 0.76 Allowed 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 120.691 0.281 . . . . 74.129999999999995 111.614 -175.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.515 ' SD ' HG13 ' A' ' 86' ' ' VAL . 7.2 ttt -89.96 139.49 30.55 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.5 -0.555 . . . . 73.439999999999998 109.5 -178.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -91.13 -45.58 8.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.178 0.513 . . . . 74.209999999999994 110.988 -173.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -133.89 149.12 51.31 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.88 -0.6 . . . . 70.430000000000007 110.555 -175.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -86.6 151.36 52.86 Favored Pre-proline 0 N--CA 1.446 -0.662 0 CA-C-N 115.796 -0.638 . . . . 73.319999999999993 109.781 176.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.49 ' HG3' ' CD1' ' A' ' 52' ' ' LEU . 28.7 Cg_endo -61.8 -35.49 78.72 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.619 2.213 . . . . 74.129999999999995 112.162 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.423 ' HA ' ' HB3' ' A' ' 103' ' ' PHE . 68.8 m-85 -70.43 -12.58 61.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.219 -0.446 . . . . 53.009999999999998 111.989 -176.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -72.46 -39.83 67.45 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 110.015 -0.365 . . . . 71.030000000000001 110.015 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -93.52 -30.6 14.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.3 0.572 . . . . 74.030000000000001 110.783 176.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.57 ' HB2' ' HB3' ' A' ' 54' ' ' GLU . 65.5 t80 -76.42 -35.78 58.38 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.491 -0.777 . . . . 60.399999999999999 111.224 -177.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -99.66 -41.35 2.94 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.544 -0.836 . . . . 73.030000000000001 112.878 -176.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -107.61 94.44 5.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.999 0.399 . . . . 54.25 111.813 -175.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -77.66 126.32 30.69 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.016 -1.105 . . . . 70.219999999999999 108.016 168.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 60.8 m80 -57.31 -43.44 83.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.178 -0.464 . . . . 64.239999999999995 111.553 -172.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 26.3 t60 69.64 -61.21 0.45 Allowed 'General case' 0 N--CA 1.47 0.532 0 O-C-N 123.896 0.747 . . . . 74.409999999999997 110.965 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -116.28 117.2 29.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.259 -0.428 . . . . 73.400000000000006 110.298 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -136.56 79.81 1.78 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.903 -0.589 . . . . 73.420000000000002 109.419 175.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.429 ' O ' ' HB3' ' A' ' 112' ' ' HIS . 9.7 t60 55.19 -102.86 0.16 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.345 -0.843 . . . . 65.329999999999998 108.807 -172.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' A' ' 111' ' ' HIS . 12.8 p80 . . . . . 0 C--O 1.245 0.83 0 C-N-CA 124.017 0.927 . . . . 74.329999999999998 109.072 170.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.8 tpp . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 121.325 0.583 . . . . 73.099999999999994 110.431 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -136.2 116.73 13.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.573 -0.74 . . . . 73.099999999999994 109.915 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -152.87 144.27 16.26 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 108.538 -0.912 . . . . 71.439999999999998 108.538 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -48.35 -32.73 20.71 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.746 2.297 . . . . 43.329999999999998 112.919 177.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t 57.79 44.4 20.32 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.834 0.826 . . . . 74.329999999999998 109.184 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -84.77 11.35 9.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.033 -0.985 . . . . 72.040000000000006 110.947 -173.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -80.49 120.08 24.0 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.109 -0.951 . . . . 71.400000000000006 109.589 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.703 ' HE3' ' HE1' ' A' ' 43' ' ' TYR . 49.3 mtmt -89.21 9.91 24.0 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.82 -0.627 . . . . 62.109999999999999 112.553 -171.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.2 p -147.84 151.01 35.23 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 116.026 -0.534 . . . . 73.319999999999993 110.049 171.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.609 ' O ' HG23 ' A' ' 14' ' ' VAL . 65.8 m-85 -63.42 -27.91 69.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.36 -0.382 . . . . 54.32 110.011 175.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -65.02 -41.22 95.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.943 -0.571 . . . . 75.209999999999994 110.062 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -78.39 -35.26 47.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.445 -0.798 . . . . 74.329999999999998 110.07 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -62.64 -38.92 92.17 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.304 -0.862 . . . . 55.420000000000002 110.851 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.67 HG11 ' HB ' ' A' ' 81' ' ' THR . 32.7 t -54.55 -40.34 49.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.19 -0.459 . . . . 73.140000000000001 111.527 178.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.28 -35.64 74.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.444 -0.344 . . . . 62.439999999999998 111.294 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.0 t -71.41 -40.65 70.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.391 -0.368 . . . . 72.340000000000003 110.483 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -72.86 -39.86 66.13 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.839 -0.43 . . . . 73.400000000000006 109.839 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.439 ' HA ' ' CZ ' ' A' ' 21' ' ' TYR . 44.8 tpp -53.29 -49.48 66.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.544 -0.753 . . . . 72.010000000000005 110.151 175.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.423 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 86.0 tttt -51.0 -36.01 36.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.127 -0.942 . . . . 74.209999999999994 111.75 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.7 m -54.06 -52.92 59.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.879 -0.601 . . . . 63.009999999999998 111.804 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.439 ' CZ ' ' HA ' ' A' ' 18' ' ' MET . 20.5 p90 -93.9 -8.79 39.23 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.891 -0.324 . . . . 75.430000000000007 111.6 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.423 ' HB2' ' HA ' ' A' ' 19' ' ' LYS . 71.0 m -70.67 -8.55 52.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.028 0.442 . . . . 65.340000000000003 110.594 173.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.476 ' HD3' ' O ' ' A' ' 23' ' ' ARG . 4.1 tmt_? -55.49 -28.65 55.84 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.776 -0.647 . . . . 73.109999999999999 110.555 176.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -81.22 -13.14 58.84 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.015 0.436 . . . . 71.299999999999997 110.933 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.0 mp -93.03 153.74 18.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.91 -0.586 . . . . 71.319999999999993 110.178 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.89 155.48 40.76 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 115.649 -0.705 . . . . 73.430000000000007 109.49 174.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.7 mt -59.44 -35.12 56.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.093 0.473 . . . . 74.349999999999994 109.858 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.29 -36.56 83.76 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.541 -0.754 . . . . 74.200000000000003 112.89 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.9 m -79.12 -46.15 18.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.075 0.438 . . . . 64.530000000000001 110.472 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -58.15 -43.85 87.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.665 -0.698 . . . . 75.319999999999993 112.432 -177.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -61.26 -20.28 62.67 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.338 0.495 . . . . 72.420000000000002 112.338 -176.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -54.69 -50.86 67.25 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 111.91 0.337 . . . . 74.299999999999997 111.91 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.608 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 76.9 t60 -110.31 -0.88 17.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.029 0.442 . . . . 75.049999999999997 110.721 -174.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -66.98 -51.88 49.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.197 0.522 . . . . 72.109999999999999 111.36 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.38 15.79 6.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.856 -0.611 . . . . 75.239999999999995 112.615 -172.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.608 ' SG ' ' HA ' ' A' ' 33' ' ' HIS . 68.7 m -77.98 -66.92 0.78 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.803 0.335 . . . . 75.019999999999996 111.257 -178.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.423 ' HG3' ' HG3' ' A' ' 42' ' ' GLU . 4.6 mpp? -65.63 -30.44 71.16 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.148 -0.478 . . . . 74.010000000000005 111.647 -174.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.08 -36.56 77.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.159 -0.473 . . . . 71.209999999999994 112.016 -178.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -75.13 -48.06 25.57 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 120.968 0.413 . . . . 74.540000000000006 110.783 -177.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -72.33 -21.06 61.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.822 -0.626 . . . . 74.439999999999998 111.027 -176.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HB3' ' CE2' ' A' ' 43' ' ' TYR . 58.4 mttp 67.42 72.36 0.34 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.296 -0.866 . . . . 75.430000000000007 110.176 -174.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.423 ' HG3' ' HG3' ' A' ' 37' ' ' MET . 6.1 mm-40 -71.5 122.28 20.16 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.551 -0.75 . . . . 72.239999999999995 110.273 177.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.703 ' HE1' ' HE3' ' A' ' 8' ' ' LYS . 63.4 m-85 -125.36 135.98 52.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.069 0.462 . . . . 74.239999999999995 110.748 178.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.2 m -141.65 92.83 2.5 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.711 -0.677 . . . . 74.439999999999998 109.307 178.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.15 46.61 1.33 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.674 0.75 . . . . 71.340000000000003 109.596 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 176.66 -127.2 1.19 Allowed Glycine 0 N--CA 1.439 -1.164 0 CA-C-N 115.089 -0.959 . . . . 75.030000000000001 110.848 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.515 HD22 ' HB3' ' A' ' 51' ' ' GLU . 3.0 tm? 66.54 119.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.939 0.876 . . . . 73.420000000000002 110.078 -176.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.481 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 27.2 mm-40 -111.39 167.75 10.06 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.504 -0.771 . . . . 62.549999999999997 110.003 -174.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -62.94 -38.51 91.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.592 -0.276 . . . . 44.450000000000003 111.005 -177.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -92.42 6.81 45.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.064 0.459 . . . . 74.530000000000001 110.56 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.515 ' HB3' HD22 ' A' ' 47' ' ' LEU . 11.3 tt0 -94.16 -28.24 15.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.012 0.434 . . . . 75.209999999999994 110.359 178.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.665 ' HG ' HG21 ' A' ' 86' ' ' VAL . 1.0 OUTLIER -78.97 84.28 5.01 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.973 -0.751 . . . . 75.010000000000005 108.973 177.272 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.525 ' O ' HD23 ' A' ' 57' ' ' LEU . 25.6 p -128.93 -175.76 3.65 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.697 -0.683 . . . . 52.020000000000003 111.221 -175.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -57.64 -40.83 80.16 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.236 -0.438 . . . . 71.409999999999997 110.455 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.35 -44.77 95.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.794 -0.639 . . . . 72.129999999999995 111.084 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -64.16 -45.91 86.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 75.349999999999994 110.355 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 53' ' ' THR . 4.3 mm? -60.15 -45.86 91.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 71.120000000000005 110.828 178.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -60.9 -48.27 82.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 70.209999999999994 111.198 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -67.1 -43.72 81.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.238 -0.437 . . . . 65.310000000000002 111.222 -177.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -69.88 -33.54 72.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 75.219999999999999 110.506 -177.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.6 tp -59.24 -49.27 78.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.914 -0.584 . . . . 62.43 110.444 175.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.2 mt -59.83 -44.66 94.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.707 -0.679 . . . . 64.120000000000005 110.603 177.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -60.48 -37.14 80.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.229 0.537 . . . . 74.510000000000005 110.524 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.499 ' O ' ' HB2' ' A' ' 68' ' ' LEU . 6.8 tpp -65.69 -40.21 92.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.617 -0.72 . . . . 73.239999999999995 110.859 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 69' ' ' CYS . 8.6 tmtt? -82.13 -36.26 27.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.848 -0.615 . . . . 74.109999999999999 110.939 -176.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -81.79 -64.24 1.22 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.384 -0.371 . . . . 63.219999999999999 111.532 -177.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.5 m -77.63 -48.83 15.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.256 -0.429 . . . . 72.019999999999996 111.354 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.499 ' HB2' ' O ' ' A' ' 64' ' ' MET . 77.8 mt -78.1 -20.5 52.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.346 -0.388 . . . . 71.310000000000002 110.415 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 60.2 m 61.56 31.68 18.8 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.636 -0.711 . . . . 74.310000000000002 112.032 174.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.99 154.08 17.85 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.817 -0.438 . . . . 50.130000000000003 109.817 175.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.69 154.0 38.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.319 -0.401 . . . . 53.409999999999997 110.303 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.461 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 6.4 p-10 -59.85 -28.81 67.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.461 -0.336 . . . . 53.450000000000003 111.655 -177.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.0 m -61.11 -35.51 77.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.794 0.331 . . . . 61.25 110.797 176.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 27.2 m -85.04 -43.18 14.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 44.340000000000003 110.246 177.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.461 ' HB3' ' HA ' ' A' ' 72' ' ' ASP . . . -55.22 -45.04 75.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.654 -0.703 . . . . 43.299999999999997 111.606 -178.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.452 ' HA ' ' OE1' ' A' ' 76' ' ' GLN . 12.7 mm-40 -65.05 -33.16 75.37 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 116.224 -0.444 . . . . 73.310000000000002 111.472 -178.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -72.52 -38.56 68.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.605 0.24 . . . . 73.219999999999999 110.883 176.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -60.15 -40.06 88.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.35 0.595 . . . . 72.230000000000004 110.226 176.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 92.9 mt -75.07 -37.22 61.69 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.522 -0.763 . . . . 72.040000000000006 110.771 177.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.417 ' O ' HG13 ' A' ' 84' ' ' ILE . 33.4 t -63.14 -35.48 80.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.504 . . . . 40.549999999999997 111.492 -178.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.67 ' HB ' HG11 ' A' ' 14' ' ' VAL . 11.3 p -66.08 -32.34 73.75 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.474 -0.49 . . . . 73.209999999999994 110.766 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.8 mt -70.75 -40.09 76.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.032 -0.729 . . . . 75.209999999999994 109.032 174.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.485 ' HE2' ' OD2' ' A' ' 98' ' ' ASP . 11.9 tmtt? -56.4 -38.62 71.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.525 -1.216 . . . . 73.450000000000003 110.826 178.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 80' ' ' SER . 82.3 mt -59.72 -42.6 89.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.682 0.277 . . . . 65.239999999999995 110.971 178.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.431 ' HB2' HG22 ' A' ' 14' ' ' VAL . 91.1 t80 -68.81 -46.55 68.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.012 0.434 . . . . 72.140000000000001 110.526 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.665 HG21 ' HG ' ' A' ' 52' ' ' LEU . 84.0 t -61.91 -46.08 97.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.79 -0.641 . . . . 53.210000000000001 110.974 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 m -63.29 -37.02 85.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.793 -0.64 . . . . 70.329999999999998 111.485 178.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.89 -35.83 80.9 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.275 0.559 . . . . 63.240000000000002 110.144 175.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.01 -22.01 66.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.488 -0.778 . . . . 54.329999999999998 111.287 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.735 HG12 ' HB3' ' A' ' 95' ' ' MET . 62.0 mt -76.89 -32.82 20.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.903 0.382 . . . . 74.019999999999996 110.576 177.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -67.44 -44.05 79.66 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.156 -0.475 . . . . 54.140000000000001 111.473 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -160.97 57.43 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.085 -0.507 . . . . 71.230000000000004 110.04 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -142.68 -99.4 0.32 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 119.962 -1.113 . . . . 75.340000000000003 113.541 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.63 -26.06 0.69 Allowed 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 120.619 0.247 . . . . 61.130000000000003 111.594 -170.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.735 ' HB3' HG12 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -84.75 172.25 11.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.367 -0.378 . . . . 51.229999999999997 110.297 -176.433 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.499 ' HA ' HG23 ' A' ' 90' ' ' ILE . 30.4 tt0 -152.0 -43.11 0.11 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.023 0.439 . . . . 71.439999999999998 110.966 -175.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -108.37 115.04 29.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.893 -0.594 . . . . 61.43 110.793 -173.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.485 ' OD2' ' HE2' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -61.23 140.93 94.33 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 120.782 0.325 . . . . 64.329999999999998 111.13 177.614 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -75.14 -31.82 5.72 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.432 2.088 . . . . 54.130000000000003 112.108 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.803 ' HA ' ' HB3' ' A' ' 103' ' ' PHE . 21.1 m-85 -71.98 -10.84 60.34 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.237 -0.438 . . . . 64.549999999999997 111.504 -177.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.19 -35.75 76.59 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 109.497 -0.557 . . . . 71.5 109.497 176.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -96.75 -25.18 15.61 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.155 -0.475 . . . . 71.129999999999995 110.559 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.803 ' HB3' ' HA ' ' A' ' 100' ' ' PHE . 67.5 t80 -68.07 -41.41 81.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.384 -0.825 . . . . 74.25 110.767 -178.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.9 -28.42 62.74 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.707 -0.759 . . . . 74.530000000000001 112.026 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.9 tp 70.8 -4.61 1.66 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.371 0.668 . . . . 75.019999999999996 111.766 177.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 69.09 136.33 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.431 0.634 . . . . 74.0 110.876 -175.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -107.25 -4.38 18.78 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.034 -0.53 . . . . 72.219999999999999 109.971 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -99.83 174.49 6.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.709 -0.678 . . . . 64.439999999999998 110.09 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -123.3 111.37 16.34 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.673 -0.491 . . . . 71.0 109.673 173.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -106.89 124.43 49.6 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.662 -0.699 . . . . 65.349999999999994 109.808 -176.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -73.24 115.55 12.72 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.419 -0.586 . . . . 54.119999999999997 109.419 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 . . . . . 0 C--O 1.246 0.916 0 CA-C-N 115.618 -0.719 . . . . 61.149999999999999 109.771 -174.717 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 ptp . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 110.127 -0.323 . . . . 73.150000000000006 110.127 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -120.56 -55.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 70.219999999999999 112.047 -171.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.408 ' CG ' ' HD2' ' A' ' 4' ' ' PRO . 27.9 t-20 -147.42 151.49 40.11 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.283 -0.417 . . . . 72.340000000000003 110.687 -168.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.408 ' HD2' ' CG ' ' A' ' 3' ' ' ASN . 70.4 Cg_exo -40.46 -33.42 0.94 Allowed 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 123.794 2.996 . . . . 61.25 113.26 171.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 t 67.3 60.71 0.49 Allowed 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.801 -0.636 . . . . 63.329999999999998 110.956 173.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -90.01 6.37 42.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.506 0.67 . . . . 72.319999999999993 110.435 175.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.591 ' HB2' ' HB3' ' A' ' 12' ' ' ASP . 3.5 p90 -121.3 117.77 27.85 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.121 -0.945 . . . . 74.420000000000002 110.943 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -102.03 -13.31 17.59 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.33 -0.85 . . . . 74.209999999999994 109.758 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.456 ' HB2' ' HB2' ' A' ' 12' ' ' ASP . 50.3 m -72.83 140.4 47.6 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.476 -1.238 . . . . 43.149999999999999 111.499 -174.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -52.91 -57.16 11.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.303 -0.862 . . . . 75.439999999999998 110.427 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.579 ' CE1' ' HB2' ' A' ' 42' ' ' GLU . 15.7 p-80 -59.9 -25.36 65.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.529 -0.76 . . . . 61.229999999999997 111.891 -178.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.591 ' HB3' ' HB2' ' A' ' 7' ' ' PHE . 4.0 m-20 -81.03 -50.21 9.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.385 -0.371 . . . . 71.409999999999997 111.144 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -62.46 -43.27 99.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 63.009999999999998 110.46 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.758 HG11 ' HB ' ' A' ' 81' ' ' THR . 88.9 t -65.74 -39.37 84.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 62.240000000000002 110.957 -178.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.63 84.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.36 . . . . 40.450000000000003 111.19 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.4 t -74.94 -43.21 55.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.048 -0.524 . . . . 60.439999999999998 110.511 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -69.04 -37.97 78.88 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.394 -0.366 . . . . 73.230000000000004 111.261 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 40.8 tpp -61.74 -30.19 70.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.431 . . . . 74.450000000000003 110.51 -178.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -57.24 -38.48 73.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.923 -0.58 . . . . 64.409999999999997 110.817 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.9 m -82.62 -30.82 29.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.967 -0.561 . . . . 62.0 110.468 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -65.48 -17.33 64.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.836 -0.62 . . . . 71.540000000000006 110.392 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.524 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 42.3 t -61.55 -12.4 15.25 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.938 -0.574 . . . . 73.099999999999994 111.856 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -64.63 -17.3 63.9 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.851 0.358 . . . . 64.439999999999998 110.924 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 24' ' ' ARG . 9.3 ptm180 -131.46 19.49 4.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.247 -0.433 . . . . 74.450000000000003 110.416 175.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.62 ' HG ' HG23 ' A' ' 29' ' ' THR . 15.2 tp -137.24 121.7 18.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.088 -0.506 . . . . 72.430000000000007 110.159 -177.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -63.76 156.99 25.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.929 0.395 . . . . 71.349999999999994 111.053 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.5 mm -62.86 -37.73 79.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.702 -0.681 . . . . 73.299999999999997 110.908 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -55.52 -50.2 61.34 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 121.013 -0.613 . . . . 72.450000000000003 112.596 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.62 HG23 ' HG ' ' A' ' 25' ' ' LEU . 1.8 t -77.71 -41.49 37.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.819 -0.224 . . . . 74.209999999999994 110.872 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -49.98 -52.72 31.55 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 122.479 0.312 . . . . 71.319999999999993 111.054 176.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -69.78 -32.51 71.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.926 -0.579 . . . . 64.310000000000002 111.605 -177.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 16.1 t-80 -71.43 -4.88 28.89 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 120.918 0.389 . . . . 70.519999999999996 111.416 -174.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -143.77 30.88 1.31 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.317 0.58 . . . . 72.209999999999994 109.719 171.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -95.71 -73.09 0.6 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.395 -0.821 . . . . 45.539999999999999 110.543 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.484 ' O ' ' HB2' ' A' ' 39' ' ' LYS . 17.3 m -74.66 -15.99 60.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.396 -0.82 . . . . 65.340000000000003 111.605 -174.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 69.0 m -45.87 -56.16 5.76 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.337 0.398 . . . . 54.210000000000001 112.007 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.475 ' HB3' ' HB2' ' A' ' 11' ' ' HIS . 66.9 mtm -55.18 -52.88 61.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.327 -0.851 . . . . 73.129999999999995 111.982 -176.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -77.65 -40.54 41.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.597 0.592 . . . . 72.319999999999993 112.597 -174.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -65.42 -59.26 4.2 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 112.161 0.43 . . . . 73.140000000000001 112.161 -171.322 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -65.14 -48.89 71.97 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.886 -0.326 . . . . 65.140000000000001 110.93 -175.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.568 ' HG2' ' HB2' ' A' ' 43' ' ' TYR . 41.1 ttmt 179.58 102.45 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.747 -0.661 . . . . 70.540000000000006 109.604 -175.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.579 ' HB2' ' CE1' ' A' ' 11' ' ' HIS . 4.2 pt-20 -59.94 -53.96 51.68 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.826 -0.624 . . . . 74.319999999999993 111.443 -179.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.568 ' HB2' ' HG2' ' A' ' 41' ' ' LYS . 10.1 t80 59.58 -161.83 0.26 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.83 0.347 . . . . 60.420000000000002 111.429 168.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 55.9 m 77.17 -73.98 0.08 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.029 0.931 . . . . 61.409999999999997 112.046 177.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 64.55 -75.32 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.55 0.531 . . . . 74.450000000000003 111.258 -175.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -142.61 49.22 0.74 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.988 -0.625 . . . . 53.420000000000002 112.4 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.64 129.33 39.37 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.443 -0.577 . . . . 72.099999999999994 109.443 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -95.95 173.47 7.42 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.3 0.571 . . . . 75.439999999999998 111.795 -173.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -58.97 -30.26 67.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.249 -0.887 . . . . 74.310000000000002 111.427 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -64.78 -29.29 70.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.38 -0.827 . . . . 70.299999999999997 111.05 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -87.08 -22.66 25.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.961 0.41 . . . . 73.019999999999996 110.83 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -83.81 90.56 7.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.1 -0.5 . . . . 71.219999999999999 110.212 -177.134 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.7 p -129.13 -179.88 5.38 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.067 -0.515 . . . . 72.129999999999995 111.225 -177.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -61.22 -42.05 97.92 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.978 -0.749 . . . . 73.420000000000002 108.978 171.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.99 -41.9 93.04 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.149 -0.932 . . . . 73.299999999999997 111.054 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.486 ' HD2' HD22 ' A' ' 57' ' ' LEU . 70.9 t80 -57.92 -51.62 68.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.97 0.414 . . . . 74.209999999999994 110.375 178.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.486 HD22 ' HD2' ' A' ' 56' ' ' PHE . 4.5 mm? -62.45 -40.59 97.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.654 -0.703 . . . . 73.230000000000004 111.142 179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -43.97 81.48 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.636 -0.711 . . . . 74.150000000000006 111.318 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -71.9 -36.71 70.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.231 -0.44 . . . . 75.530000000000001 110.971 -177.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -61.64 -38.62 88.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.045 0.45 . . . . 70.25 110.04 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.714 HD11 ' HA ' ' A' ' 72' ' ' ASP . 30.6 tp -65.59 -47.24 76.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.785 -0.643 . . . . 63.340000000000003 110.763 176.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 78.0 mt -57.23 -45.76 84.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.88 -0.6 . . . . 74.109999999999999 110.6 176.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -61.88 -39.21 91.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.281 0.562 . . . . 73.439999999999998 110.139 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.623 ' HG2' ' HB2' ' A' ' 75' ' ' ALA . 24.8 tpp -58.99 -43.83 91.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.37 -0.832 . . . . 71.209999999999994 110.728 176.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -75.87 -40.86 53.78 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.955 -1.021 . . . . 64.200000000000003 111.363 -175.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -81.11 -63.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.147 0.498 . . . . 75.030000000000001 111.859 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.5 m -78.98 -33.66 44.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.885 -0.598 . . . . 71.030000000000001 112.173 -170.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 64' ' ' MET . 88.5 mt -93.38 -89.08 0.21 Allowed 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.212 -0.595 . . . . 65.209999999999994 111.934 -175.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 68' ' ' LEU . 14.9 m 179.07 -42.21 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.768 0.318 . . . . 73.129999999999995 111.292 -170.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.544 ' HB3' ' HB ' ' A' ' 74' ' ' THR . 38.0 m-80 -69.85 152.43 44.55 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.002 -0.544 . . . . 72.129999999999995 112.092 -168.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -98.06 -170.69 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.511 -0.768 . . . . 53.340000000000003 111.302 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.714 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -52.49 -67.55 0.24 Allowed 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.06 0.763 . . . . 43.439999999999998 113.06 -176.078 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.543 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 24.2 t -57.71 -40.45 79.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.634 0.254 . . . . 75.409999999999997 111.14 -177.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.544 ' HB ' ' HB3' ' A' ' 70' ' ' ASN . 1.0 OUTLIER -58.91 -42.96 90.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.147 0.499 . . . . 62.450000000000003 110.768 179.62 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.623 ' HB2' ' HG2' ' A' ' 64' ' ' MET . . . -71.29 -36.96 71.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.026 -0.534 . . . . 74.129999999999995 111.026 178.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.447 HE21 HD12 ' A' ' 79' ' ' LEU . 20.7 mm-40 -60.04 -38.01 81.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.634 -0.257 . . . . 72.340000000000003 110.937 177.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 73' ' ' SER . 33.0 mmt180 -59.55 -39.86 85.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.32 0.581 . . . . 71.099999999999994 110.509 175.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -78.17 -39.07 41.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.499 -0.773 . . . . 74.200000000000003 111.618 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.447 HD12 HE21 ' A' ' 76' ' ' GLN . 36.2 mt -63.55 -22.85 67.12 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 111.845 0.313 . . . . 72.319999999999993 111.845 -177.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.478 ' O ' HG12 ' A' ' 84' ' ' ILE . 49.7 m -52.67 -28.17 20.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.299 -0.41 . . . . 65.219999999999999 111.774 174.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.758 ' HB ' HG11 ' A' ' 14' ' ' VAL . 51.9 p -63.44 -54.74 31.83 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.988 0.423 . . . . 61.049999999999997 111.038 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 55.0 mt -59.92 -38.65 77.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.791 -0.64 . . . . 73.510000000000005 110.555 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -55.29 -41.28 72.08 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 115.671 -0.695 . . . . 74.0 111.177 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 80' ' ' SER . 47.0 mm -59.87 -47.11 92.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.594 0.235 . . . . 73.349999999999994 111.215 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -70.13 -48.53 57.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.971 0.415 . . . . 75.0 110.692 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 90' ' ' ILE . 71.7 t -61.0 -41.67 90.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.85 -0.614 . . . . 61.210000000000001 110.306 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.3 m -57.08 -42.22 80.29 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.913 -0.585 . . . . 43.439999999999998 111.695 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.94 93.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.208 0.528 . . . . 62.140000000000001 110.7 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.416 ' HB1' ' HB3' ' A' ' 94' ' ' TYR . . . -70.84 -35.32 72.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.61 -0.723 . . . . 72.519999999999996 111.134 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 86' ' ' VAL . 78.0 mt -68.52 -40.01 81.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.863 0.363 . . . . 63.140000000000001 110.397 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -61.53 -38.29 86.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.95 -0.568 . . . . 71.219999999999999 110.885 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -77.99 -41.35 36.25 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.808 -0.357 . . . . 74.310000000000002 110.447 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 121.16 17.12 4.14 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.357 -0.925 . . . . 32.399999999999999 113.175 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.416 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 40.6 t80 -79.07 -39.82 32.85 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.959 -0.756 . . . . 72.409999999999997 108.959 175.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 75.5 mmm -98.82 116.5 31.2 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.382 -0.826 . . . . 64.340000000000003 108.802 171.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -82.58 -31.17 29.13 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.11 0.481 . . . . 72.329999999999998 111.524 -171.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -127.55 135.53 50.46 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.959 -0.564 . . . . 73.239999999999995 111.073 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.411 ' OD1' ' HD2' ' A' ' 99' ' ' PRO . 0.4 OUTLIER -67.07 141.47 96.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 61.310000000000002 110.28 172.277 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.411 ' HD2' ' OD1' ' A' ' 98' ' ' ASP . 58.4 Cg_endo -74.29 -29.04 9.97 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.209 1.94 . . . . 74.540000000000006 111.518 175.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.776 ' HA ' ' HD1' ' A' ' 103' ' ' PHE . 93.4 m-85 -86.1 -8.79 57.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.699 -0.682 . . . . 71.040000000000006 111.104 -178.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.458 ' HE3' ' HB3' ' A' ' 101' ' ' LYS . 0.9 OUTLIER -65.58 -30.12 70.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.899 -0.592 . . . . 63.340000000000003 110.974 -177.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -99.46 10.11 41.99 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.113 0.412 . . . . 74.540000000000006 112.113 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.776 ' HD1' ' HA ' ' A' ' 100' ' ' PHE . 30.8 m-85 -82.38 -4.73 57.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.373 0.606 . . . . 63.009999999999998 109.774 172.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 139.58 -99.29 0.26 Allowed Glycine 0 N--CA 1.443 -0.876 0 N-CA-C 110.33 -1.108 . . . . 72.430000000000007 110.33 -177.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 51.5 tp 62.15 -82.2 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 123.481 0.713 . . . . 72.439999999999998 111.915 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -170.74 92.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.456 -0.572 . . . . 55.409999999999997 109.456 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -84.58 31.09 0.53 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.089 0.471 . . . . 72.310000000000002 111.0 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -80.89 19.02 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.489 -0.778 . . . . 74.340000000000003 109.751 178.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 66.25 -84.99 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 115.535 -0.757 . . . . 75.430000000000007 109.946 -174.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -153.03 -80.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.019 0.438 . . . . 75.019999999999996 110.032 175.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -163.17 -47.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.951 -0.568 . . . . 73.329999999999998 109.636 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.219 -0.896 . . . . 71.219999999999999 109.364 179.876 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 120.483 0.182 . . . . 72.129999999999995 110.844 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -154.1 167.72 28.87 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.744 -0.465 . . . . 74.319999999999993 109.744 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 58.0 t30 70.27 83.82 0.15 Allowed Pre-proline 0 N--CA 1.466 0.34 0 CA-C-O 121.418 0.627 . . . . 72.329999999999998 110.679 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -85.0 150.92 10.97 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.948 2.432 . . . . 74.400000000000006 113.367 -175.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 t 60.69 21.7 11.64 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.449 -0.796 . . . . 73.140000000000001 111.284 176.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -133.09 10.29 4.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.546 0.688 . . . . 71.099999999999994 109.952 -177.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.492 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . 72.2 m-85 -60.36 148.03 38.58 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.029 -0.987 . . . . 70.400000000000006 111.622 -174.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.792 ' HD3' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -91.06 -22.26 20.83 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.649 -1.16 . . . . 64.439999999999998 112.2 -170.619 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.733 ' HB2' ' HB2' ' A' ' 12' ' ' ASP . 20.1 m -123.86 163.52 21.08 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.268 -0.424 . . . . 54.039999999999999 111.751 -174.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.496 ' O ' HG23 ' A' ' 14' ' ' VAL . 18.0 m-85 -68.37 -54.85 14.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.677 -0.692 . . . . 72.510000000000005 109.84 -176.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.506 ' HB3' ' CD ' ' A' ' 42' ' ' GLU . 68.3 t60 -71.8 -22.22 61.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.399 -0.818 . . . . 75.409999999999997 109.834 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.733 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 38.8 t70 -65.18 -46.59 80.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.574 -0.739 . . . . 71.310000000000002 109.583 176.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.549 ' HD1' ' HB2' ' A' ' 85' ' ' TYR . 25.8 t80 -66.01 -44.35 85.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.599 -0.728 . . . . 73.420000000000002 109.697 175.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.602 HG22 ' HB3' ' A' ' 85' ' ' TYR . 58.0 t -56.39 -48.78 79.39 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-N 115.57 -0.741 . . . . 62.530000000000001 111.561 179.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.84 -47.41 84.95 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.736 0.273 . . . . 54.210000000000001 111.736 -174.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.8 t -64.27 -41.88 96.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.432 -0.349 . . . . 55.219999999999999 110.995 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -71.76 -44.29 64.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.22 -0.445 . . . . 63.009999999999998 110.398 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.843 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 31.9 ttm -68.06 -28.29 67.25 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.855 -0.611 . . . . 73.519999999999996 110.952 -177.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -52.3 -42.66 63.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 64.420000000000002 110.211 175.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.7 m -85.81 -40.56 15.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.387 0.613 . . . . 75.319999999999993 110.459 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.843 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 73.5 t80 -63.42 -16.53 60.82 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.227 -0.897 . . . . 65.219999999999999 111.912 -177.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.2 p -62.75 -18.38 62.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.525 -0.307 . . . . 62.020000000000003 111.394 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -69.61 -10.84 59.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.099 0.476 . . . . 74.310000000000002 111.319 177.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -109.52 2.61 20.55 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.153 -0.476 . . . . 75.510000000000005 110.02 176.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.46 ' HG ' HG23 ' A' ' 29' ' ' THR . 1.8 mp -120.27 132.82 55.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.719 -0.673 . . . . 74.530000000000001 111.701 -175.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -76.83 160.8 28.96 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.13 -0.693 . . . . 73.549999999999997 109.13 169.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.9 mm -64.71 -35.89 76.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.729 -0.214 . . . . 74.010000000000005 110.596 -177.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.512 ' HA2' ' NE ' ' A' ' 31' ' ' ARG . . . -55.91 -46.62 83.38 Favored Glycine 0 C--N 1.333 0.403 0 CA-C-N 116.125 -0.489 . . . . 74.439999999999998 113.042 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.46 HG23 ' HG ' ' A' ' 25' ' ' LEU . 8.9 t -79.5 -33.65 41.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.672 0.273 . . . . 73.140000000000001 111.062 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -59.68 -52.42 65.57 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.425 -0.352 . . . . 62.219999999999999 111.151 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.512 ' NE ' ' HA2' ' A' ' 28' ' ' GLY . 37.8 ptt180 -65.1 -24.45 67.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.002 -0.545 . . . . 75.329999999999998 111.22 -177.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -64.57 -15.99 61.92 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.995 -0.548 . . . . 73.150000000000006 111.498 -173.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -142.0 34.14 1.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.156 0.503 . . . . 73.540000000000006 110.732 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -95.62 -53.37 3.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.735 -0.666 . . . . 75.109999999999999 111.713 -177.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.1 m -70.3 -33.84 72.03 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.865 0.691 . . . . 71.349999999999994 112.865 -171.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 35.3 m -51.43 -69.68 0.11 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 113.406 0.891 . . . . 51.119999999999997 113.406 -169.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 65.7 mtm -67.11 -25.77 66.37 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.741 0.305 . . . . 65.329999999999998 111.468 -175.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -61.11 -52.0 66.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.278 0.561 . . . . 75.439999999999998 110.491 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.495 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -66.42 -38.26 87.06 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 114.998 -1.001 . . . . 74.329999999999998 110.579 -177.348 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.43 ' O ' ' HB3' ' A' ' 41' ' ' LYS . 87.8 t80 -55.21 -32.38 62.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.349 -0.842 . . . . 75.040000000000006 112.255 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 40' ' ' PHE . 56.6 tptt 69.52 103.71 0.06 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.352 0.596 . . . . 73.540000000000006 110.674 -176.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.548 ' HB3' ' HB3' ' A' ' 9' ' ' SER . 32.2 mm-40 -60.44 -80.25 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.045 -0.98 . . . . 70.019999999999996 112.327 -177.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.1 t80 53.31 40.33 31.15 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.266 -0.879 . . . . 71.019999999999996 111.012 -174.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.627 ' HB2' ' HA ' ' A' ' 9' ' ' SER . 58.2 m -89.09 148.05 23.91 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.034 -0.728 . . . . 64.239999999999995 109.034 174.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -110.56 30.55 6.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.059 0.457 . . . . 70.540000000000006 111.389 -170.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 129.57 136.29 4.05 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.512 -0.851 . . . . 64.129999999999995 112.471 177.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.613 HD21 ' HB2' ' A' ' 52' ' ' LEU . 3.0 tm? -121.33 126.35 49.25 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.167 0.508 . . . . 73.120000000000005 110.006 178.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -114.35 -177.83 3.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.659 -0.7 . . . . 70.420000000000002 110.319 -178.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.509 ' HE1' ' H ' ' A' ' 97' ' ' ASN . 44.8 t80 -67.56 -57.37 6.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.21 -0.45 . . . . 63.119999999999997 110.229 178.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -87.71 68.18 9.39 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 121.694 0.759 . . . . 63.310000000000002 109.856 178.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -152.01 -49.3 0.11 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.54 -1.209 . . . . 74.340000000000003 108.209 174.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.613 ' HB2' HD21 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -85.69 82.29 8.28 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 107.902 -1.147 . . . . 52.310000000000002 107.902 170.366 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.488 ' O ' HD23 ' A' ' 57' ' ' LEU . 41.2 p -122.58 -176.82 3.47 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.808 -0.633 . . . . 74.219999999999999 111.365 -173.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.559 ' H ' ' CD ' ' A' ' 54' ' ' GLU . 1.4 mp0 -53.13 -39.09 63.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.718 -0.674 . . . . 73.219999999999999 110.188 177.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -67.37 -38.52 84.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.125 -0.943 . . . . 74.129999999999995 110.741 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -69.32 -40.07 77.85 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.905 -0.405 . . . . 73.230000000000004 109.905 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.541 HD13 HD22 ' A' ' 79' ' ' LEU . 3.8 mm? -57.48 -50.81 71.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.007 -0.542 . . . . 74.120000000000005 110.975 177.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.511 ' O ' HG12 ' A' ' 62' ' ' ILE . 28.8 ptt180 -68.93 -37.11 78.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.451 -0.34 . . . . 63.399999999999999 110.802 -178.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -65.4 -44.25 88.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.842 0.353 . . . . 72.340000000000003 110.708 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -66.58 -37.82 85.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.027 -0.533 . . . . 71.030000000000001 109.772 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.3 tp -59.54 -53.92 52.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.626 -0.715 . . . . 61.439999999999998 110.149 174.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.511 HG12 ' O ' ' A' ' 58' ' ' ARG . 40.3 mm -56.7 -48.37 80.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.009 -0.542 . . . . 73.329999999999998 111.14 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.411 ' O ' ' HB ' ' A' ' 67' ' ' THR . 70.8 t80 -60.33 -45.55 93.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.134 0.492 . . . . 72.109999999999999 110.973 -178.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.481 ' CE ' ' HA ' ' A' ' 75' ' ' ALA . 12.5 ttp -71.47 -42.97 67.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.881 -0.599 . . . . 74.230000000000004 111.69 -177.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -72.26 -49.0 38.31 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.082 -0.508 . . . . 52.43 110.866 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -84.57 -62.96 1.42 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.783 -0.189 . . . . 73.340000000000003 110.971 -174.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 63' ' ' TYR . 78.4 m -68.23 -49.82 58.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.751 0.31 . . . . 75.340000000000003 111.631 -174.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 64' ' ' MET . 93.6 mt -78.68 -8.02 58.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.707 0.289 . . . . 72.439999999999998 110.484 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 60.2 m 63.2 27.78 15.68 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.611 -0.722 . . . . 73.040000000000006 112.392 173.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -88.74 169.91 11.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.822 0.344 . . . . 75.299999999999997 110.942 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.32 168.34 11.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.933 -0.576 . . . . 75.120000000000005 110.121 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -69.62 -28.46 65.94 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.194 -0.202 . . . . 72.430000000000007 111.359 -177.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.4 m -57.04 -44.26 82.78 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.942 0.401 . . . . 71.129999999999995 110.532 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.0 m -69.46 -44.0 72.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.0 -0.545 . . . . 72.019999999999996 110.043 178.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.481 ' HA ' ' CE ' ' A' ' 64' ' ' MET . . . -60.71 -45.81 92.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.541 -0.754 . . . . 61.100000000000001 111.382 -179.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -62.88 -36.21 82.56 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.32 -0.4 . . . . 74.510000000000005 111.241 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.14 -46.03 75.32 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.032 0.444 . . . . 65.120000000000005 110.452 178.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.404 ' HB2' ' HE1' ' A' ' 64' ' ' MET . 6.9 m-20 -63.5 -44.03 95.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.881 -0.6 . . . . 71.430000000000007 110.826 178.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.541 HD22 HD13 ' A' ' 57' ' ' LEU . 72.7 mt -64.2 -33.91 76.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.227 -0.442 . . . . 61.229999999999997 110.696 178.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.459 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 23.0 t -70.82 -24.47 62.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.666 0.269 . . . . 73.439999999999998 110.587 178.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.4 m -74.56 -41.58 60.28 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.466 -0.568 . . . . 63.43 109.466 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.702 HG23 ' HE2' ' A' ' 85' ' ' TYR . 85.9 mt -62.6 -39.39 84.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.39 -0.823 . . . . 74.310000000000002 109.524 172.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.484 ' O ' ' HB2' ' A' ' 87' ' ' SER . 2.3 tmtt? -54.39 -32.23 56.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.374 -0.83 . . . . 75.340000000000003 111.061 178.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 80' ' ' SER . 76.7 mt -62.25 -52.44 60.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 111.384 0.142 . . . . 54.539999999999999 111.384 -178.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.702 ' HE2' HG23 ' A' ' 82' ' ' ILE . 1.1 p90 -72.97 -31.91 64.86 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.45 -0.5 . . . . 74.209999999999994 110.167 -177.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 90' ' ' ILE . 76.1 t -65.02 -50.76 73.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 62.450000000000003 110.096 176.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.484 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 0.5 OUTLIER -58.54 -37.78 76.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.992 -0.549 . . . . 74.519999999999996 111.239 178.818 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.91 -42.74 80.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.033 0.444 . . . . 55.43 110.496 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.651 ' HA ' ' HA3' ' A' ' 93' ' ' GLY . . . -68.46 -27.17 65.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.785 -0.643 . . . . 71.540000000000006 111.53 -179.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 86' ' ' VAL . 93.4 mt -79.01 -31.74 14.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.096 0.474 . . . . 64.140000000000001 110.308 177.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.3 tttt -76.4 -43.27 41.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.836 -0.62 . . . . 74.510000000000005 109.628 -176.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 92' ' ' LYS . 38.1 tptt -170.19 75.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.8 -0.636 . . . . 75.140000000000001 110.388 170.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.651 ' HA3' ' HA ' ' A' ' 89' ' ' ALA . . . -146.51 -63.88 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.284 -0.96 . . . . 74.519999999999996 113.324 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -161.49 -51.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 71.349999999999994 110.736 -173.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.486 ' HG2' ' HA ' ' A' ' 49' ' ' PHE . 90.1 mtp -76.0 163.97 26.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.975 -0.557 . . . . 74.129999999999995 110.967 -177.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -128.09 -36.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.104 -0.498 . . . . 63.039999999999999 111.471 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.509 ' H ' ' HE1' ' A' ' 49' ' ' PHE . 16.0 m120 -114.68 141.39 47.87 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.175 -0.466 . . . . 73.209999999999994 110.04 -177.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.57 ' OD1' ' HD2' ' A' ' 99' ' ' PRO . 0.4 OUTLIER -77.99 141.38 63.17 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.883 -0.599 . . . . 75.239999999999995 110.422 179.297 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.57 ' HD2' ' OD1' ' A' ' 98' ' ' ASP . 29.9 Cg_endo -65.28 -53.66 0.78 Allowed 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.622 2.215 . . . . 64.209999999999994 112.866 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.601 ' HA ' ' HB3' ' A' ' 103' ' ' PHE . 13.4 p90 -66.53 -25.0 66.46 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.969 0.414 . . . . 65.439999999999998 111.26 -172.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.546 ' HD2' ' O ' ' A' ' 101' ' ' LYS . 0.4 OUTLIER -63.91 -39.93 95.32 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.856 -0.611 . . . . 62.020000000000003 109.558 178.624 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.83 15.16 29.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.542 0.687 . . . . 64.120000000000005 109.764 -177.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.601 ' HB3' ' HA ' ' A' ' 100' ' ' PHE . 6.5 t80 -109.78 82.63 1.62 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.175 -0.92 . . . . 75.239999999999995 110.364 -175.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 81.86 39.01 12.33 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.004 -0.617 . . . . 64.109999999999999 112.448 178.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 49.6 tp -148.86 98.13 2.81 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.812 -0.44 . . . . 52.310000000000002 109.812 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -121.31 124.62 45.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.988 0.423 . . . . 73.010000000000005 110.263 -177.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -159.63 107.94 1.77 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.98 -0.748 . . . . 70.120000000000005 108.98 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -119.3 81.28 1.69 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.123 0.487 . . . . 74.549999999999997 110.784 -177.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 59.3 m80 52.62 -115.8 0.97 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 115.815 -0.63 . . . . 71.120000000000005 109.789 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -179.85 -33.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.86 -0.793 . . . . 74.209999999999994 108.86 172.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -109.19 96.52 6.36 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.7 -0.852 . . . . 73.439999999999998 108.7 172.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 . . . . . 0 C--O 1.246 0.884 0 O-C-N 124.125 0.891 . . . . 75.439999999999998 110.299 -173.183 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 121.075 0.464 . . . . 72.409999999999997 110.347 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -157.86 19.29 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.675 -0.693 . . . . 75.540000000000006 109.583 178.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -96.99 166.14 14.46 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.232 -0.894 . . . . 74.040000000000006 110.094 -173.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -66.45 111.25 2.03 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.484 2.122 . . . . 71.230000000000004 110.658 168.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m 69.13 82.74 0.16 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.807 -0.633 . . . . 75.239999999999995 111.441 -177.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -101.29 6.78 42.96 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.526 0.679 . . . . 72.099999999999994 110.21 173.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.699 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 5.0 m-85 -92.77 130.46 38.38 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 115.075 -0.966 . . . . 65.510000000000005 109.765 -177.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 8' ' ' LYS . 35.7 mtpt -96.48 -17.63 20.41 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.212 -0.449 . . . . 53.210000000000001 111.738 -177.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 t -146.77 170.78 16.28 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.751 -0.379 . . . . 65.219999999999999 111.378 -172.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.467 ' O ' HG23 ' A' ' 14' ' ' VAL . 43.4 p90 -61.35 -37.77 84.54 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.893 -0.594 . . . . 75.430000000000007 111.101 -176.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -63.27 -25.27 68.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.847 0.356 . . . . 75.140000000000001 110.906 -177.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.699 ' HB2' ' HB3' ' A' ' 7' ' ' PHE . 42.2 m-20 -80.53 -45.67 17.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.166 -0.47 . . . . 74.409999999999997 110.617 177.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -63.64 -48.37 77.52 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.665 -0.698 . . . . 72.540000000000006 110.93 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 10' ' ' PHE . 90.8 t -58.74 -41.28 82.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.972 -0.558 . . . . 72.409999999999997 110.665 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.05 -29.3 70.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.415 -0.357 . . . . 62.5 111.751 -176.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.2 t -82.66 -38.96 22.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.964 0.411 . . . . 52.030000000000001 110.746 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -76.72 -37.62 55.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.987 0.422 . . . . 70.319999999999993 110.811 -177.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 49.8 ttm -61.01 -28.97 69.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.736 -0.665 . . . . 72.230000000000004 111.486 -176.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -49.63 -35.98 22.95 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.061 0.458 . . . . 74.340000000000003 111.865 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 37.3 m -79.79 -39.57 30.58 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.179 -0.464 . . . . 73.219999999999999 110.966 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -69.3 -33.08 72.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 62.340000000000003 111.024 -177.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.6 p -66.85 -12.62 59.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.927 0.394 . . . . 62.340000000000003 111.323 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -76.78 -28.83 55.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.847 0.356 . . . . 71.329999999999998 110.471 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -107.88 13.04 26.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.461 0.648 . . . . 64.340000000000003 110.491 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.8 tp -115.31 135.73 53.84 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.99 -1.115 . . . . 52.399999999999999 107.99 173.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.429 ' CG ' HG22 ' A' ' 29' ' ' THR . 10.7 pt-20 -60.24 146.29 44.27 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 109.715 -0.476 . . . . 75.239999999999995 109.715 176.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.8 mm -68.96 -27.55 35.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 116.017 -0.538 . . . . 73.0 110.437 -175.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.01 -48.21 63.67 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.182 -0.533 . . . . 62.409999999999997 112.76 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.429 HG22 ' CG ' ' A' ' 26' ' ' GLU . 7.6 t -79.3 -47.96 14.96 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 121.031 -0.268 . . . . 74.319999999999993 110.99 -179.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -51.07 -45.89 61.57 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.322 0.49 . . . . 70.109999999999999 112.322 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -65.57 -21.71 66.62 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.986 0.365 . . . . 73.219999999999999 111.986 -174.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -69.49 -29.21 66.81 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.855 0.359 . . . . 61.149999999999999 111.27 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.502 ' HD2' HG21 ' A' ' 81' ' ' THR . 15.4 t60 -139.61 50.37 1.77 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.054 -0.721 . . . . 74.340000000000003 109.054 -174.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -89.32 -50.37 6.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.175 -0.92 . . . . 52.350000000000001 112.067 -170.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.5 m -103.57 2.81 33.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.901 0.381 . . . . 74.239999999999995 111.098 -174.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 74.1 m -62.07 -60.4 3.66 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.633 0.605 . . . . 74.25 112.633 -174.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -51.3 -38.68 54.2 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.731 0.641 . . . . 73.239999999999995 112.731 -171.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -66.98 -45.49 77.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.942 0.401 . . . . 74.329999999999998 111.271 -174.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -91.7 -30.96 16.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.86 -0.609 . . . . 74.120000000000005 112.191 -174.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -64.72 -24.64 67.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.232 0.539 . . . . 74.530000000000001 110.346 -178.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.434 ' HG2' ' CZ ' ' A' ' 10' ' ' PHE . 9.8 tptp -126.54 88.73 2.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.845 -0.616 . . . . 63.520000000000003 109.722 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.78 -4.73 52.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.775 -0.648 . . . . 61.409999999999997 110.657 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -125.07 -172.74 2.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.158 -0.474 . . . . 71.140000000000001 110.223 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 82.6 m 68.74 91.64 0.09 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.406 0.622 . . . . 73.239999999999995 111.324 -178.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -118.3 169.45 9.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.47 -0.786 . . . . 71.349999999999994 110.234 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.0 47.34 83.59 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.783 -0.722 . . . . 53.43 111.765 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.5 tt -93.93 112.15 23.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.9 0.381 . . . . 64.140000000000001 110.135 -176.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -96.47 176.14 6.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.879 -0.601 . . . . 60.340000000000003 110.184 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -58.02 -33.33 68.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.609 -0.723 . . . . 61.130000000000003 112.17 -176.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -67.05 -9.81 43.19 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.241 0.459 . . . . 74.120000000000005 112.241 -177.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -90.05 -23.51 21.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 73.430000000000007 110.856 177.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -99.35 90.86 4.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.295 0.569 . . . . 62.219999999999999 109.847 -177.102 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.435 ' O ' HD23 ' A' ' 57' ' ' LEU . 38.7 p -126.73 175.18 8.18 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.738 -0.665 . . . . 65.430000000000007 110.227 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.456 ' HB2' ' HB3' ' A' ' 102' ' ' ASP . 7.6 tm-20 -59.45 -35.46 74.09 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.394 -0.595 . . . . 71.409999999999997 109.394 173.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -57.48 -43.55 84.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.462 -0.79 . . . . 71.420000000000002 110.081 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -62.61 -47.56 83.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.635 -0.711 . . . . 75.519999999999996 110.782 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 53' ' ' THR . 4.4 mm? -59.75 -42.88 94.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.98 0.419 . . . . 53.340000000000003 110.579 178.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -61.68 -48.66 79.81 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.696 -0.684 . . . . 55.119999999999997 110.665 177.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -61.99 -41.39 98.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.718 -0.673 . . . . 74.340000000000003 111.199 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -65.74 -36.14 82.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.953 -0.567 . . . . 74.329999999999998 109.902 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 49.8 tp -62.14 -48.78 78.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.019 -0.537 . . . . 62.219999999999999 110.532 175.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 77.5 mt -60.25 -47.82 90.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.572 -0.74 . . . . 63.0 110.545 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -57.19 -39.76 76.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.936 -0.575 . . . . 72.349999999999994 110.529 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.46 ' HG2' ' HB2' ' A' ' 75' ' ' ALA . 7.5 tpp -65.0 -57.06 9.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.703 -0.681 . . . . 61.109999999999999 110.766 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -65.22 -38.14 89.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.847 -0.615 . . . . 63.539999999999999 110.812 -173.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -78.32 -63.36 1.42 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.813 -0.63 . . . . 65.409999999999997 111.286 -178.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 56.0 m -80.23 -46.01 17.01 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.603 0.594 . . . . 51.210000000000001 112.603 -173.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 73.8 mt -94.06 4.8 53.38 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.752 0.279 . . . . 73.150000000000006 111.752 -171.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 18.0 t 67.43 -164.77 0.21 Allowed 'General case' 0 CA--C 1.535 0.379 0 O-C-N 123.429 0.455 . . . . 65.400000000000006 110.198 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 73.27 -173.2 0.14 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.05 0.54 . . . . 71.140000000000001 110.625 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -126.78 -172.79 2.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.229 -0.441 . . . . 75.129999999999995 110.829 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -55.66 -38.43 69.58 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.947 -0.57 . . . . 74.549999999999997 111.856 -177.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.2 m -55.04 -44.71 74.93 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.773 0.32 . . . . 62.219999999999999 111.432 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.3 m -77.8 -28.17 50.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.225 0.536 . . . . 71.129999999999995 111.047 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.46 ' HB2' ' HG2' ' A' ' 64' ' ' MET . . . -71.97 -43.24 65.47 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.41 -0.359 . . . . 71.510000000000005 110.707 177.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -62.2 -44.48 96.49 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.008 -0.542 . . . . 61.310000000000002 111.48 -176.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -26.81 68.64 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.681 0.276 . . . . 74.340000000000003 111.011 -179.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -77.32 -49.69 14.44 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 121.036 0.446 . . . . 62.130000000000003 110.297 175.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 75' ' ' ALA . 96.3 mt -59.08 -31.18 68.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.378 -0.828 . . . . 61.520000000000003 111.465 -178.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.577 ' HA ' ' HB3' ' A' ' 83' ' ' LYS . 69.8 m -59.38 -28.78 67.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.087 -0.506 . . . . 72.420000000000002 112.227 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.502 HG21 ' HD2' ' A' ' 33' ' ' HIS . 74.7 p -66.83 -44.33 81.39 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.52 -0.472 . . . . 75.0 110.756 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.5 mt -71.17 -36.82 64.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 75.200000000000003 109.596 174.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.577 ' HB3' ' HA ' ' A' ' 80' ' ' SER . 76.5 tttt -53.56 -47.97 69.56 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.469 -0.787 . . . . 74.310000000000002 111.78 178.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.524 HG12 ' O ' ' A' ' 80' ' ' SER . 44.7 mm -55.52 -41.3 62.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.493 0.187 . . . . 74.239999999999995 111.19 -177.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -70.58 -48.14 56.75 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.696 -0.401 . . . . 63.340000000000003 110.093 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.656 ' O ' HG13 ' A' ' 90' ' ' ILE . 79.5 t -59.88 -54.97 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.974 -0.557 . . . . 74.209999999999994 110.769 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.816 ' HA ' HD12 ' A' ' 90' ' ' ILE . 2.3 m -55.41 -44.28 76.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.785 -0.643 . . . . 75.329999999999998 111.583 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.02 91.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.811 0.339 . . . . 63.219999999999999 110.607 177.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.06 -24.7 67.8 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.163 -0.471 . . . . 72.329999999999998 111.406 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.816 HD12 ' HA ' ' A' ' 87' ' ' SER . 76.1 mt -64.53 -53.05 47.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.177 -0.465 . . . . 74.219999999999999 110.361 178.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -77.33 -29.12 53.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.708 -0.678 . . . . 71.239999999999995 110.509 -178.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -66.18 -43.31 87.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.993 -0.549 . . . . 61.530000000000001 110.754 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 134.92 50.69 0.08 OUTLIER Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.128 -1.034 . . . . 40.310000000000002 113.915 175.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -140.78 -70.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 117.001 0.4 . . . . 73.200000000000003 110.675 172.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.479 ' HG3' HG13 ' A' ' 86' ' ' VAL . 81.7 mmm -65.29 140.15 58.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.01 0.433 . . . . 73.420000000000002 110.817 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -75.13 -48.41 23.86 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.748 -0.66 . . . . 70.450000000000003 111.076 -176.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -146.78 158.69 43.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.021 -0.536 . . . . 75.549999999999997 111.146 -173.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.05 142.1 87.23 Favored Pre-proline 0 N--CA 1.45 -0.474 0 CA-C-N 115.519 -0.764 . . . . 73.430000000000007 110.239 178.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.06 -36.07 2.73 Favored 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 122.458 2.105 . . . . 64.329999999999998 112.536 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.788 ' HA ' ' HD2' ' A' ' 103' ' ' PHE . 51.2 p90 -74.95 -17.85 60.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.563 0.697 . . . . 75.25 110.843 -178.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.422 ' HE3' ' HB3' ' A' ' 101' ' ' LYS . 0.6 OUTLIER -71.89 -25.22 61.84 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.228 -0.897 . . . . 74.439999999999998 110.404 179.202 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.456 ' HB3' ' HB2' ' A' ' 54' ' ' GLU . 33.4 t70 -95.22 7.24 46.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.97 -0.559 . . . . 70.439999999999998 111.381 -173.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.788 ' HD2' ' HA ' ' A' ' 100' ' ' PHE . 5.7 m-85 -71.88 78.89 0.88 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.652 0.612 . . . . 44.039999999999999 112.652 -177.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 79.16 -90.43 1.21 Allowed Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.028 -0.987 . . . . 64.430000000000007 113.764 167.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 56.1 tp 61.13 94.06 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.368 0.687 . . . . 75.420000000000002 110.129 -169.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -113.76 122.78 48.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.185 0.517 . . . . 73.120000000000005 112.223 -173.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -169.55 114.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.349 -0.841 . . . . 64.010000000000005 109.293 174.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 39.4 m170 -116.66 136.7 52.75 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.372 0.606 . . . . 73.450000000000003 112.031 -176.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -146.97 101.82 3.46 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.807 -1.088 . . . . 70.239999999999995 108.9 173.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 36.5 t60 -147.59 -89.39 0.09 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 111.812 0.301 . . . . 72.430000000000007 111.812 -176.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 59.38 -78.86 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 O-C-N 123.52 0.512 . . . . 65.450000000000003 109.854 -167.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 10.1 m170 . . . . . 0 C--O 1.247 0.963 0 N-CA-C 109.003 -0.74 . . . . 73.040000000000006 109.003 174.325 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.813 0.34 . . . . 65.239999999999995 110.559 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -91.69 -0.4 57.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.447 -0.342 . . . . 55.140000000000001 110.893 -175.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -101.2 137.16 19.62 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 109.395 -0.594 . . . . 73.329999999999998 109.395 -177.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.457 ' HD2' ' CZ ' ' A' ' 7' ' ' PHE . 20.9 Cg_exo -69.2 -26.85 29.79 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.851 2.367 . . . . 65.120000000000005 111.742 175.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 m 61.98 18.54 9.98 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.137 -0.938 . . . . 74.129999999999995 112.552 173.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -102.36 3.49 37.98 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.274 0.559 . . . . 53.109999999999999 111.699 -177.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.457 ' CZ ' ' HD2' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -100.06 134.75 42.52 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 121.787 0.803 . . . . 72.319999999999993 111.948 177.464 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.427 ' H ' ' HG2' ' A' ' 8' ' ' LYS . 18.8 pttm -95.49 -36.03 11.46 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 113.796 -1.547 . . . . 74.450000000000003 111.218 -176.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.46 ' CB ' ' HA3' ' A' ' 46' ' ' GLY . 49.5 m -126.24 169.29 13.02 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.376 0.51 . . . . 60.210000000000001 112.376 -168.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -56.28 -43.47 78.85 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 115.416 -0.811 . . . . 75.519999999999996 111.952 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.3 p80 -65.47 -25.54 67.54 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.775 -0.37 . . . . 64.120000000000005 111.243 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.429 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 22.5 m-20 -81.1 -46.19 15.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.09 0.472 . . . . 70.109999999999999 110.107 176.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.431 ' CD1' ' HD1' ' A' ' 85' ' ' TYR . 61.0 t80 -60.44 -52.59 64.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.558 -0.746 . . . . 64.219999999999999 110.992 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.7 t -61.02 -33.78 57.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.242 -0.435 . . . . 71.439999999999998 110.811 -177.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.97 95.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 72.129999999999995 110.821 178.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.0 t -79.46 -38.95 33.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.235 -0.438 . . . . 60.229999999999997 110.684 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -72.05 -38.11 69.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.426 -0.352 . . . . 53.310000000000002 110.792 -176.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 35.7 tpp -60.1 -38.81 84.05 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.754 -0.461 . . . . 75.219999999999999 109.754 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.542 ' HD3' ' O ' ' A' ' 19' ' ' LYS . 1.7 tmtp? -73.61 -22.66 59.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.645 -0.707 . . . . 74.319999999999993 110.109 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.9 m -63.39 -56.42 16.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.357 -0.383 . . . . 52.030000000000001 110.812 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -88.15 -3.27 58.9 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 120.808 -0.357 . . . . 75.420000000000002 111.365 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.841 ' HA ' ' HB2' ' A' ' 25' ' ' LEU . 43.2 t -56.03 -18.78 10.41 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.302 -0.408 . . . . 71.409999999999997 111.022 173.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -51.82 -35.88 45.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.984 -0.553 . . . . 73.409999999999997 111.047 175.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.3 mtt-85 -112.64 8.43 19.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.256 -0.429 . . . . 73.420000000000002 111.342 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.841 ' HB2' ' HA ' ' A' ' 22' ' ' SER . 3.8 mp -86.87 121.28 29.14 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.691 -0.485 . . . . 71.209999999999994 109.691 176.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -68.51 165.58 18.76 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.912 -0.585 . . . . 72.510000000000005 110.377 175.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.444 HG22 ' HD2' ' A' ' 31' ' ' ARG . 58.8 mt -61.03 -35.72 67.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.568 -0.742 . . . . 73.049999999999997 111.089 -175.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.52 -60.75 8.11 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-N 116.136 -0.484 . . . . 34.439999999999998 113.508 -177.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.7 t -66.99 -37.1 83.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.042 0.421 . . . . 72.099999999999994 111.387 -177.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -63.99 -45.91 86.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.58 -0.282 . . . . 54.439999999999998 111.543 -175.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.444 ' HD2' HG22 ' A' ' 27' ' ' ILE . 16.1 ptm180 -74.3 -20.28 60.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.709 0.29 . . . . 72.219999999999999 111.462 -176.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.83 -59.12 3.3 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.244 0.461 . . . . 71.010000000000005 112.244 -175.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -100.16 23.08 10.47 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.894 0.331 . . . . 53.409999999999997 111.894 -173.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -73.35 -48.37 34.81 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 121.014 0.435 . . . . 70.129999999999995 111.568 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 m -72.48 -22.56 61.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.021 -0.536 . . . . 51.039999999999999 111.888 -174.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.531 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 60.9 m -56.13 -60.34 3.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.83 0.347 . . . . 51.340000000000003 111.684 -175.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 54.0 ttp -72.03 -27.3 62.62 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.255 -0.43 . . . . 63.32 110.859 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 38' ' ' ARG . 8.7 mtt180 -72.05 -26.98 62.4 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.787 0.662 . . . . 72.200000000000003 112.787 -174.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 36' ' ' CYS . 59.1 pttt -72.38 -22.03 61.2 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.753 -0.779 . . . . 73.25 109.9 177.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -88.91 1.07 55.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.453 0.644 . . . . 74.310000000000002 110.095 177.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 24.6 ttpp -75.32 6.09 4.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.706 -0.679 . . . . 73.25 111.542 -175.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -100.11 9.13 43.31 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.466 0.651 . . . . 73.010000000000005 109.98 174.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -90.62 103.68 16.35 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.456 -0.942 . . . . 73.319999999999993 108.456 173.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.1 t -63.05 -37.41 87.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 75.209999999999994 111.155 -173.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -83.17 -157.09 0.21 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.154 0.502 . . . . 54.229999999999997 110.288 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.46 ' HA3' ' CB ' ' A' ' 9' ' ' SER . . . -169.96 -128.23 1.0 Allowed Glycine 0 N--CA 1.438 -1.229 0 C-N-CA 120.528 -0.844 . . . . 72.019999999999996 112.007 178.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.543 ' HG ' ' HB2' ' A' ' 51' ' ' GLU . 9.3 tt -169.67 127.76 0.93 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.035 -0.728 . . . . 60.200000000000003 109.035 -174.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -101.05 -177.57 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.621 -0.263 . . . . 73.329999999999998 111.029 -177.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -55.15 -37.35 66.87 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.299 -0.409 . . . . 74.219999999999999 112.006 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -72.92 -30.42 63.88 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.171 -0.468 . . . . 75.030000000000001 111.126 -177.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.543 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . 11.4 mp0 -86.49 -11.36 51.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.101 -0.499 . . . . 63.439999999999998 110.572 -176.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.449 ' CD1' ' HG3' ' A' ' 99' ' ' PRO . 0.8 OUTLIER -74.01 94.84 2.42 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.316 -0.624 . . . . 61.109999999999999 109.316 178.732 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.0 p -125.67 162.92 23.93 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.058 -0.519 . . . . 70.400000000000006 110.842 -177.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.47 -36.79 74.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 72.219999999999999 110.241 176.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -57.5 -42.92 83.68 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.145 -0.479 . . . . 64.219999999999999 111.248 -177.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.436 ' HD2' HD22 ' A' ' 57' ' ' LEU . 76.1 t80 -62.26 -51.6 67.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.828 0.347 . . . . 75.409999999999997 110.304 178.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.436 HD22 ' HD2' ' A' ' 56' ' ' PHE . 4.4 mm? -60.69 -45.06 95.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.783 -0.644 . . . . 71.219999999999999 110.974 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -65.01 -50.3 66.84 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.307 -0.86 . . . . 74.549999999999997 111.008 -177.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -64.21 -37.79 88.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.082 -0.508 . . . . 64.209999999999994 111.177 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.417 ' HD2' HD21 ' A' ' 79' ' ' LEU . 49.8 t80 -71.29 -37.23 71.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 73.430000000000007 110.368 -179.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.503 HD22 ' HZ ' ' A' ' 103' ' ' PHE . 49.1 tp -57.27 -53.4 58.5 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.163 -0.471 . . . . 74.140000000000001 110.14 175.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.9 mt -60.42 -48.69 87.35 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.459 0 CA-C-N 115.643 -0.708 . . . . 75.219999999999999 110.177 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -53.98 -41.7 68.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.101 0.477 . . . . 73.310000000000002 111.26 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.505 ' HE1' ' HB3' ' A' ' 78' ' ' ASN . 6.2 ttp -70.38 -40.89 73.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.922 -0.581 . . . . 75.219999999999999 111.723 -176.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.689 ' HA ' ' H ' ' A' ' 70' ' ' ASN . 21.9 ptmt -83.73 -24.69 31.06 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 111.825 0.306 . . . . 72.340000000000003 111.825 -178.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -93.88 -63.92 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.567 -0.288 . . . . 74.349999999999994 111.75 -175.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.3 m -79.24 -39.1 33.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.954 0.407 . . . . 71.420000000000002 111.042 -174.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 64' ' ' MET . 87.8 mt -88.74 -14.17 37.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.29 -0.414 . . . . 74.510000000000005 110.644 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.458 ' C ' HD22 ' A' ' 70' ' ' ASN . 45.6 t 54.29 76.82 0.22 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.728 -0.669 . . . . 72.230000000000004 111.636 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.689 ' H ' ' HA ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -120.87 162.07 20.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.162 -0.472 . . . . 72.030000000000001 109.981 176.326 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.56 162.91 24.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.291 -0.413 . . . . 64.310000000000002 110.43 177.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -58.97 -47.3 85.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.263 -0.426 . . . . 62.130000000000003 110.877 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.4 m -66.85 -20.14 65.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.579 . . . . 63.549999999999997 111.514 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.9 m -83.54 -48.05 10.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.189 0.519 . . . . 72.0 110.238 178.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.46 -46.9 84.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.696 -0.684 . . . . 53.539999999999999 111.116 -178.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -59.88 -36.13 76.29 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.924 -0.58 . . . . 72.450000000000003 111.047 178.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -66.79 -41.4 87.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.113 0.482 . . . . 75.510000000000005 110.517 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.505 ' HB3' ' HE1' ' A' ' 64' ' ' MET . 8.3 t30 -70.03 -37.54 75.63 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.807 -0.633 . . . . 64.209999999999994 110.193 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.417 HD21 ' HD2' ' A' ' 60' ' ' TYR . 65.0 mt -65.18 -34.1 77.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.794 -0.639 . . . . 55.539999999999999 111.077 176.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.495 ' HA ' ' HB3' ' A' ' 83' ' ' LYS . 68.3 m -60.0 -21.74 61.69 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.373 -0.376 . . . . 75.010000000000005 111.831 177.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.2 m -73.09 -43.31 61.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 72.450000000000003 110.486 178.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.7 mt -70.9 -32.87 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.463 0.649 . . . . 65.5 109.279 174.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.495 ' HB3' ' HA ' ' A' ' 80' ' ' SER . 78.2 tttt -52.4 -38.85 60.0 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.031 -0.986 . . . . 75.209999999999994 111.933 175.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 50.1 mm -57.87 -37.9 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.363 . . . . 73.200000000000003 110.454 178.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.431 ' HD1' ' CD1' ' A' ' 13' ' ' PHE . 79.1 t80 -68.24 -50.45 53.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.319 0.58 . . . . 74.409999999999997 109.97 177.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 90' ' ' ILE . 48.2 t -58.75 -55.56 22.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 114.96 -1.018 . . . . 75.420000000000002 111.056 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 m -61.54 -35.36 77.53 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.047 -0.979 . . . . 53.229999999999997 112.128 -175.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.99 -36.38 75.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.962 0.411 . . . . 74.230000000000004 110.753 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.77 -25.62 61.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 74.439999999999998 111.17 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.59 HD13 ' HB3' ' A' ' 98' ' ' ASP . 66.6 mt -82.76 -33.08 10.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.06 0.457 . . . . 71.420000000000002 110.839 176.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -69.4 -45.29 69.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.822 -0.626 . . . . 64.200000000000003 110.133 -175.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -163.47 68.64 0.2 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.215 0.531 . . . . 60.030000000000001 109.736 172.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -136.29 -76.66 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.457 -0.878 . . . . 65.310000000000002 112.49 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -157.46 -40.82 0.07 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.743 0.306 . . . . 75.019999999999996 111.134 -175.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 83.5 mtp -73.16 137.47 45.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 73.230000000000004 111.267 -175.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -96.12 -47.27 6.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 74.349999999999994 110.638 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -107.55 157.82 17.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.123 -0.49 . . . . 61.43 109.952 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.59 ' HB3' HD13 ' A' ' 90' ' ' ILE . 3.5 p-10 -108.44 153.52 42.01 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 115.443 -0.799 . . . . 55.509999999999998 110.982 -175.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.449 ' HG3' ' CD1' ' A' ' 52' ' ' LEU . 73.9 Cg_endo -75.07 -20.07 17.08 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.644 2.229 . . . . 63.25 113.007 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.816 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 40.7 p90 -85.28 -5.68 59.3 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.431 0.634 . . . . 63.350000000000001 111.473 -176.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -61.57 -43.48 98.78 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.085 -0.962 . . . . 75.200000000000003 109.998 168.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.42 ' OD2' ' HA ' ' A' ' 106' ' ' GLU . 0.3 OUTLIER -105.7 6.83 32.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.315 -0.857 . . . . 71.230000000000004 111.009 -178.236 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.816 ' HB2' ' HA ' ' A' ' 100' ' ' PHE . 66.7 t80 -74.12 88.72 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.621 0.724 . . . . 74.019999999999996 110.194 -177.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 95.27 2.16 62.23 Favored Glycine 0 C--N 1.313 -0.699 0 CA-C-N 114.834 -1.075 . . . . 71.200000000000003 110.809 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 91.7 mt -141.22 68.73 1.34 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.79 -0.705 . . . . 64.329999999999998 109.22 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.537 ' CD ' ' H ' ' A' ' 106' ' ' GLU . 1.8 pm0 -67.14 102.73 1.07 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.613 0.72 . . . . 74.099999999999994 110.467 -177.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -136.01 -1.73 2.4 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.613 -1.176 . . . . 71.530000000000001 109.505 -175.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -66.02 95.38 0.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.754 -0.657 . . . . 74.150000000000006 110.751 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -158.39 15.56 0.2 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.985 -0.552 . . . . 62.409999999999997 109.911 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -79.85 -19.29 48.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.893 -0.594 . . . . 74.219999999999999 110.394 -177.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -94.76 112.91 24.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 74.540000000000006 110.28 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.273 -0.87 . . . . 70.010000000000005 108.755 176.917 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.484 1.261 0 CA-C-O 120.504 0.192 . . . . 72.510000000000005 110.892 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -65.66 -64.15 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.071 0.462 . . . . 74.150000000000006 110.418 -176.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -130.81 87.0 50.64 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.759 -0.655 . . . . 71.049999999999997 109.884 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -79.25 -164.56 0.28 Allowed 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.927 2.418 . . . . 73.319999999999993 113.246 -175.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.02 46.12 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.628 -0.715 . . . . 73.420000000000002 111.631 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -97.07 16.08 20.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.6 0.714 . . . . 64.420000000000002 110.103 -176.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -67.7 -177.94 0.85 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.184 -0.916 . . . . 73.230000000000004 111.257 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.669 ' HD2' ' HG2' ' A' ' 42' ' ' GLU . 3.5 ptpt -54.01 -38.46 65.14 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.987 -0.552 . . . . 70.510000000000005 110.955 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.538 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 32.0 t -162.08 164.91 27.84 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.855 -0.794 . . . . 71.209999999999994 108.855 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.563 ' O ' HG23 ' A' ' 14' ' ' VAL . 80.4 m-85 -63.44 -28.66 70.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.542 -0.299 . . . . 74.420000000000002 111.116 -178.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -64.61 -38.6 91.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 60.420000000000002 110.78 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -70.81 -35.23 72.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.415 0.626 . . . . 75.319999999999993 110.099 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -64.31 -39.22 93.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.349 -0.841 . . . . 72.030000000000001 110.09 174.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.638 HG11 ' HB ' ' A' ' 81' ' ' THR . 69.2 t -55.43 -47.87 77.74 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.165 0 CA-C-N 116.015 -0.538 . . . . 64.230000000000004 110.312 175.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.63 -44.09 93.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.399 . . . . 63.43 111.075 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.5 t -61.81 -40.89 96.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.959 -0.564 . . . . 64.129999999999995 110.992 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -75.72 -34.38 60.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.984 0.421 . . . . 71.010000000000005 110.238 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.68 ' HA ' ' CE1' ' A' ' 21' ' ' TYR . 39.0 ttm -64.7 -44.55 89.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.67 -0.695 . . . . 75.140000000000001 111.496 -175.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -65.8 -22.64 66.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.939 0.399 . . . . 73.109999999999999 110.501 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.3 m -76.73 -52.46 9.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.189 -0.459 . . . . 63.420000000000002 110.896 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.68 ' CE1' ' HA ' ' A' ' 18' ' ' MET . 3.8 p90 -80.46 0.83 31.82 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 120.766 -0.374 . . . . 74.549999999999997 110.76 -178.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.5 t -57.72 -25.35 60.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 73.439999999999998 110.828 175.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.3 mtm105 -67.71 -19.79 65.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.171 0.51 . . . . 75.549999999999997 110.87 177.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -108.76 13.23 25.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.814 -0.63 . . . . 73.439999999999998 110.088 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.614 ' HG ' HG23 ' A' ' 29' ' ' THR . 15.4 tp -127.05 141.4 51.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.311 -0.404 . . . . 71.219999999999999 110.361 -176.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' HB3' HG22 ' A' ' 29' ' ' THR . 0.5 OUTLIER -62.35 151.01 37.98 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.099 -0.5 . . . . 73.310000000000002 109.819 174.005 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.7 mt -67.29 -42.04 87.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 116.133 -0.485 . . . . 74.230000000000004 110.524 -177.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.67 -42.1 96.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.115 -0.564 . . . . 61.439999999999998 112.89 -177.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.614 HG23 ' HG ' ' A' ' 25' ' ' LEU . 7.8 t -78.08 -40.38 38.62 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 122.706 -0.291 . . . . 74.030000000000001 110.813 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.612 ' HE1' ' HG2' ' A' ' 18' ' ' MET . 88.3 t80 -56.06 -52.45 64.21 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.094 0.474 . . . . 71.519999999999996 110.324 173.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 31' ' ' ARG . 14.8 ttt-85 -55.08 -34.98 64.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.365 -0.834 . . . . 74.420000000000002 111.428 177.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -68.22 -16.99 64.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.497 -0.774 . . . . 61.340000000000003 112.241 -172.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -144.77 28.79 1.26 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.251 0.463 . . . . 75.209999999999994 112.251 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -90.87 -33.66 15.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.853 0.359 . . . . 73.010000000000005 111.756 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -80.67 -21.15 41.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.034 -0.53 . . . . 72.150000000000006 111.879 -174.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 63.4 m -51.37 -61.68 2.09 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 112.921 0.712 . . . . 65.319999999999993 112.921 -172.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -61.84 -36.35 80.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.481 -0.327 . . . . 74.150000000000006 111.525 -175.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.795 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -69.81 -47.85 61.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.151 -0.477 . . . . 54.299999999999997 111.164 -174.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -67.73 -30.36 69.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.14 -0.482 . . . . 61.450000000000003 110.583 -176.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -63.53 -31.25 72.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.783 -0.644 . . . . 75.430000000000007 110.476 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' HE2' ' HB3' ' A' ' 41' ' ' LYS . 48.7 mtpt 53.5 90.24 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.907 0.755 . . . . 71.439999999999998 110.119 -172.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.669 ' HG2' ' HD2' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -74.68 111.28 9.72 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.669 -0.696 . . . . 70.340000000000003 112.404 -170.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -107.68 14.47 25.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.232 -0.894 . . . . 63.530000000000001 108.895 169.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.9 t -62.55 109.17 1.3 Allowed 'General case' 0 C--O 1.236 0.343 0 CA-C-N 114.536 -1.211 . . . . 55.549999999999997 110.543 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -136.16 137.01 40.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.762 -0.654 . . . . 73.340000000000003 110.479 -176.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.66 10.65 32.6 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.87 -0.681 . . . . 53.119999999999997 112.458 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.515 HD23 ' HB2' ' A' ' 51' ' ' GLU . 1.2 tt -85.77 111.63 20.32 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.633 -0.506 . . . . 65.329999999999998 109.633 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.648 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 2.8 mp0 -83.28 -173.84 4.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.672 -0.24 . . . . 75.540000000000006 110.574 177.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.468 ' HB3' ' SD ' ' A' ' 95' ' ' MET . 92.5 m-85 -76.83 -47.73 20.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.956 0.407 . . . . 64.140000000000001 110.473 -176.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -81.55 2.74 27.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.819 0.342 . . . . 70.319999999999993 110.66 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.648 ' HG2' ' HB2' ' A' ' 48' ' ' GLN . 17.8 mm-40 -85.8 -14.38 45.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.356 0.598 . . . . 62.229999999999997 109.64 174.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.09 82.56 7.67 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.608 -0.886 . . . . 75.230000000000004 108.608 175.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.469 ' O ' HD23 ' A' ' 57' ' ' LEU . 26.6 p -121.54 179.12 4.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.782 -0.645 . . . . 62.130000000000003 111.706 -174.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 99' ' ' PRO . 59.0 mp0 -56.91 -36.41 70.14 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.468 -0.787 . . . . 62.340000000000003 110.664 176.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.35 -40.51 85.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.756 -0.656 . . . . 74.109999999999999 110.358 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -63.32 -46.43 86.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 64.319999999999993 110.222 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 53' ' ' THR . 4.3 mm? -57.23 -43.73 83.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.312 -0.404 . . . . 74.150000000000006 110.867 178.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -65.12 -50.48 65.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.19 -0.459 . . . . 74.150000000000006 110.838 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -63.05 -43.22 99.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.093 -0.503 . . . . 74.239999999999995 111.211 -178.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -68.95 -34.24 75.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.869 -0.605 . . . . 72.430000000000007 110.246 -178.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.662 ' HB2' HD11 ' A' ' 79' ' ' LEU . 52.5 tp -59.58 -51.12 71.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 74.120000000000005 110.11 174.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.3 mt -58.89 -46.54 91.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.28 -0.873 . . . . 72.510000000000005 110.853 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -61.7 -40.27 94.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.927 0.394 . . . . 75.010000000000005 110.671 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.579 ' O ' ' HB2' ' A' ' 68' ' ' LEU . 5.4 tpp -62.9 -45.76 91.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.694 -0.684 . . . . 64.120000000000005 110.675 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -76.77 -32.59 57.82 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.379 -0.828 . . . . 74.310000000000002 111.114 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -80.65 -64.43 1.19 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.327 -0.397 . . . . 74.230000000000004 111.715 -176.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.7 m -79.95 -46.84 16.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.523 -0.308 . . . . 71.299999999999997 111.799 -173.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.579 ' HB2' ' O ' ' A' ' 64' ' ' MET . 80.3 mt -74.7 -14.09 60.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.568 -0.287 . . . . 65.239999999999995 111.173 -176.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.1 t 68.58 20.67 8.28 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.27 0.557 . . . . 64.239999999999995 110.952 175.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -80.98 148.65 29.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.22 -0.445 . . . . 74.409999999999997 109.851 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.65 161.11 30.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.284 -0.416 . . . . 71.310000000000002 110.404 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.66 -52.59 55.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.013 -0.54 . . . . 71.439999999999998 110.798 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.546 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 13.6 m -64.14 -34.84 78.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.716 -0.675 . . . . 65.510000000000005 111.184 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.5 m -67.84 -39.5 83.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.11 0.481 . . . . 42.130000000000003 110.501 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.76 -33.46 75.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.989 -0.551 . . . . 71.400000000000006 110.332 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -62.0 -37.38 84.63 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.856 -0.611 . . . . 54.109999999999999 110.332 174.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 73' ' ' SER . 28.6 mmt180 -64.35 -45.42 87.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 73.209999999999994 109.815 176.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -63.5 -37.88 89.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.332 -0.849 . . . . 74.400000000000006 111.375 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.662 HD11 ' HB2' ' A' ' 61' ' ' LEU . 88.9 mt -71.72 -35.48 70.19 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.94 0.4 . . . . 70.230000000000004 110.732 177.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.591 ' O ' HG12 ' A' ' 84' ' ' ILE . 31.5 t -65.19 -25.53 67.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.977 -0.556 . . . . 71.319999999999993 111.391 -177.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.638 ' HB ' HG11 ' A' ' 14' ' ' VAL . 70.6 p -63.3 -49.83 72.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.099 0.476 . . . . 62.350000000000001 110.461 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.654 HG23 ' HE2' ' A' ' 85' ' ' TYR . 70.2 mt -63.55 -41.03 91.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.633 -0.712 . . . . 71.239999999999995 110.136 177.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 87' ' ' SER . 14.7 tmtt? -57.89 -31.77 67.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.536 -0.756 . . . . 75.019999999999996 111.241 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.591 HG12 ' O ' ' A' ' 80' ' ' SER . 45.3 mm -60.38 -51.82 68.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 C-N-CA 120.987 -0.285 . . . . 34.130000000000003 111.148 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.654 ' HE2' HG23 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -74.15 -34.75 63.94 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.567 -0.453 . . . . 74.109999999999999 110.349 -176.822 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 90' ' ' ILE . 69.8 t -64.21 -45.54 96.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.816 0.341 . . . . 73.0 110.123 177.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.487 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 0.6 OUTLIER -56.22 -34.58 66.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.933 -0.576 . . . . 63.109999999999999 111.082 177.082 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.36 -38.87 63.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 32.439999999999998 110.727 177.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.67 -24.68 64.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.981 -0.554 . . . . 64.109999999999999 111.468 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 86' ' ' VAL . 63.4 mt -81.18 -30.06 11.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.091 0.472 . . . . 73.010000000000005 110.085 175.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.01 -44.14 63.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.951 -0.568 . . . . 61.119999999999997 109.765 -176.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 92' ' ' LYS . 46.1 tptt -167.06 71.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.299 0.571 . . . . 74.230000000000004 110.267 174.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -140.0 -77.45 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.391 -0.822 . . . . 74.439999999999998 112.412 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -160.79 -35.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.782 0.325 . . . . 74.549999999999997 110.929 -177.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.468 ' SD ' ' HB3' ' A' ' 49' ' ' PHE . 88.8 mmm -66.67 121.57 15.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.156 -0.474 . . . . 72.140000000000001 111.07 -179.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -83.18 -41.78 18.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.757 -0.656 . . . . 64.510000000000005 110.628 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -116.32 164.36 14.64 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.297 -0.865 . . . . 74.409999999999997 111.241 -169.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.902 ' HB2' ' HB2' ' A' ' 101' ' ' LYS . 4.0 m-20 -95.41 143.86 26.83 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.203 -0.908 . . . . 71.109999999999999 111.462 -173.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.461 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 5.4 Cg_exo -81.92 -1.78 11.01 Favored 'Trans proline' 0 C--O 1.225 -0.146 0 C-N-CA 124.085 3.19 . . . . 54.219999999999999 111.685 173.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.665 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 29.8 p90 -128.3 25.56 5.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.497 1.142 . . . . 72.540000000000006 110.32 177.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.902 ' HB2' ' HB2' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -81.27 -38.13 27.36 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 113.3 -1.773 . . . . 74.420000000000002 110.385 -179.354 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -105.23 9.31 34.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 75.420000000000002 110.59 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.665 ' HB2' ' HA ' ' A' ' 100' ' ' PHE . 15.1 t80 -62.08 -62.94 1.43 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.043 -0.526 . . . . 72.530000000000001 111.2 -171.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -151.1 16.33 0.9 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.277 -0.963 . . . . 74.239999999999995 112.619 178.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' A' ' 107' ' ' HIS . 5.8 tt -129.23 95.15 3.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.068 0.461 . . . . 73.400000000000006 109.998 -177.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -95.31 59.32 2.19 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.618 0.723 . . . . 74.510000000000005 110.45 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.413 ' HB3' HD21 ' A' ' 105' ' ' LEU . 12.9 t-80 -132.43 24.49 4.45 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.168 -1.049 . . . . 75.319999999999993 108.168 177.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -103.1 104.51 14.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.795 -1.093 . . . . 75.109999999999999 110.435 -177.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -109.09 147.33 32.59 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.261 -0.427 . . . . 64.530000000000001 109.883 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -131.32 159.49 37.75 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.111 -0.495 . . . . 71.420000000000002 109.781 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -95.22 1.92 54.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.44 0.638 . . . . 72.150000000000006 109.896 173.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 . . . . . 0 C--O 1.25 1.083 0 CA-C-N 115.194 -0.912 . . . . 75.420000000000002 108.989 173.48 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tmm? . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 109.636 -0.505 . . . . 72.5 109.636 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -156.35 164.96 37.67 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.867 -0.79 . . . . 65.219999999999999 108.867 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.496 ' HB3' ' OG ' ' A' ' 16' ' ' SER . 3.0 m-20 -72.34 142.44 84.45 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-O 120.792 0.329 . . . . 72.310000000000002 111.028 -175.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 3' ' ' ASN . 92.0 Cg_endo -95.96 -165.61 0.1 Allowed 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 123.23 2.62 . . . . 71.129999999999995 112.83 -178.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -123.32 30.22 6.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.541 0.686 . . . . 72.439999999999998 109.38 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -87.28 4.83 41.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.281 -0.872 . . . . 75.400000000000006 111.997 -171.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -78.09 145.24 35.89 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 116.023 -0.535 . . . . 73.109999999999999 110.325 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -97.62 -21.25 17.15 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.608 -0.724 . . . . 65.0 111.336 -177.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.485 ' HB2' ' OD1' ' A' ' 12' ' ' ASP . 19.3 m -101.09 142.11 33.0 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.893 -0.594 . . . . 53.409999999999997 111.199 -173.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -58.57 -45.76 88.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.88 -0.6 . . . . 75.340000000000003 111.865 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.498 ' HB2' ' HA ' ' A' ' 38' ' ' ARG . 4.2 p80 -68.51 -21.53 64.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.832 0.349 . . . . 70.230000000000004 110.859 -177.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.485 ' OD1' ' HB2' ' A' ' 9' ' ' SER . 3.2 m-20 -81.67 -49.95 9.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.899 -0.591 . . . . 51.420000000000002 110.926 175.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.632 ' CD1' ' HB2' ' A' ' 85' ' ' TYR . 7.6 t80 -59.8 -47.19 86.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.656 -0.702 . . . . 73.200000000000003 110.617 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.7 t -59.52 -40.76 82.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.266 -0.425 . . . . 70.219999999999999 111.018 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.17 -38.51 91.33 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.96 0.41 . . . . 72.340000000000003 110.875 -178.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.496 ' OG ' ' HB3' ' A' ' 3' ' ' ASN . 23.2 t -74.5 -42.75 58.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.033 -0.53 . . . . 73.209999999999994 110.864 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -68.68 -34.67 76.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.019 0.437 . . . . 75.409999999999997 109.95 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.465 ' O ' ' HB2' ' A' ' 22' ' ' SER . 33.4 tpp -63.47 -36.39 83.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.819 -0.628 . . . . 73.150000000000006 109.909 176.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -69.41 -31.39 69.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.565 -0.743 . . . . 72.319999999999993 109.973 175.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.3 m -63.64 -57.13 11.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 73.430000000000007 111.418 -177.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -89.7 5.78 44.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.106 0.479 . . . . 72.5 111.289 -177.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.556 ' HA ' ' HB2' ' A' ' 25' ' ' LEU . 42.3 t -60.52 -10.42 5.02 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.841 -0.618 . . . . 75.219999999999999 111.445 173.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -55.66 -25.69 40.66 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.596 0.358 . . . . 74.340000000000003 111.874 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -118.14 19.56 13.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.983 0.421 . . . . 63.219999999999999 110.845 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.556 ' HB2' ' HA ' ' A' ' 22' ' ' SER . 4.3 mp -109.56 130.22 55.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.257 -0.429 . . . . 60.439999999999998 111.027 -178.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -70.02 157.75 36.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.811 -0.631 . . . . 74.349999999999994 110.888 174.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.403 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 40.8 mm -56.34 -39.07 58.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.977 -0.556 . . . . 63.119999999999997 110.806 176.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.504 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -51.05 -50.45 39.02 Favored Glycine 0 CA--C 1.519 0.333 0 CA-C-N 116.165 -0.47 . . . . 74.530000000000001 113.067 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 t -79.38 -37.87 36.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.967 0.384 . . . . 74.450000000000003 110.861 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -64.36 -46.28 84.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.487 -0.324 . . . . 54.210000000000001 111.327 -174.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.79 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 31.9 ptt180 -75.06 -23.74 58.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.742 0.306 . . . . 70.430000000000007 110.548 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.504 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 2.8 t60 -66.06 -16.3 63.8 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.285 0.564 . . . . 75.209999999999994 110.222 -178.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -144.58 46.17 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.443 -0.799 . . . . 74.420000000000002 109.509 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.79 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 26.0 tptp -78.43 -75.27 0.23 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.628 -0.714 . . . . 72.109999999999999 111.478 -175.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 4.0 m -105.53 -4.64 20.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.166 -0.47 . . . . 62.109999999999999 110.632 -175.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.7 m -51.14 -59.64 3.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.497 -0.774 . . . . 63.5 112.747 -172.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -64.9 -31.33 72.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.165 -0.47 . . . . 75.010000000000005 112.158 -175.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.498 ' HA ' ' HB2' ' A' ' 11' ' ' HIS . 41.4 ttt180 -77.2 -42.34 37.89 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.612 -0.435 . . . . 71.329999999999998 111.086 -175.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.442 ' HE2' ' HB3' ' A' ' 39' ' ' LYS . 50.1 mtpt -63.57 -70.47 0.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.899 -0.591 . . . . 71.010000000000005 112.127 -178.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.505 ' CE1' ' HG ' ' A' ' 68' ' ' LEU . 44.1 t80 -54.36 -43.98 71.81 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.255 -0.884 . . . . 75.209999999999994 111.875 -175.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -83.86 65.26 8.52 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.98 -0.748 . . . . 71.140000000000001 108.98 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -68.28 -25.4 65.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.029 -0.987 . . . . 74.129999999999995 113.079 -169.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -71.36 129.93 40.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.452 0.644 . . . . 73.409999999999997 111.882 -173.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 74.6 m -114.29 166.3 11.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.31 -0.859 . . . . 71.129999999999995 109.91 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.445 ' CD ' ' H ' ' A' ' 46' ' ' GLY . 0.2 OUTLIER 66.61 177.39 0.23 Allowed 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.564 0.54 . . . . 74.340000000000003 109.856 -178.127 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.445 ' H ' ' CD ' ' A' ' 45' ' ' GLU . . . 71.8 37.77 61.02 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.754 -0.736 . . . . 43.409999999999997 111.642 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -146.42 131.03 17.83 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.516 -0.55 . . . . 61.329999999999998 109.516 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.587 ' H ' ' HB2' ' A' ' 51' ' ' GLU . 0.4 OUTLIER -138.64 -170.32 2.81 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.005 -0.739 . . . . 64.120000000000005 109.005 178.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -82.44 -32.22 29.09 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.079 0.466 . . . . 70.239999999999995 110.878 -176.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -91.62 -2.59 57.03 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.104 0.478 . . . . 74.319999999999993 110.328 177.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.587 ' HB2' ' H ' ' A' ' 48' ' ' GLN . 40.8 mm-40 -81.1 -32.62 33.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.373 0.606 . . . . 71.299999999999997 109.539 173.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.448 ' HA ' HD22 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -84.04 87.22 7.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.25 -0.886 . . . . 72.209999999999994 109.362 -179.644 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.451 ' O ' HD23 ' A' ' 57' ' ' LEU . 27.1 p -128.34 -179.31 4.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.902 -0.59 . . . . 62.409999999999997 111.336 -176.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.693 ' CG ' ' HA ' ' A' ' 103' ' ' PHE . 4.1 tm-20 -61.12 -41.64 97.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 70.510000000000005 110.27 176.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.81 -44.35 81.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 65.209999999999994 110.295 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 57.2 t80 -63.16 -51.61 65.73 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.53 -0.759 . . . . 73.129999999999995 110.323 177.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.506 HD13 HD22 ' A' ' 79' ' ' LEU . 3.4 mm? -59.87 -42.67 94.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.478 -0.328 . . . . 54.109999999999999 111.656 -178.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.404 ' HD2' HH11 ' A' ' 58' ' ' ARG . 0.7 OUTLIER -60.08 -46.58 89.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.206 -0.452 . . . . 72.230000000000004 110.877 179.63 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -71.95 -37.07 70.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.058 0.456 . . . . 73.019999999999996 110.828 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 56' ' ' PHE . 7.1 t80 -69.27 -30.32 68.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.764 -0.653 . . . . 75.329999999999998 110.998 -175.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 58.8 tp -62.89 -48.8 77.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.219 0.533 . . . . 71.120000000000005 109.988 174.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 57.3 mt -62.03 -44.85 99.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.403 -0.817 . . . . 63.049999999999997 110.107 175.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -55.64 -40.65 72.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.808 -0.633 . . . . 74.510000000000005 110.94 177.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 10.2 tpp -64.68 -49.54 70.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.338 0.589 . . . . 72.209999999999994 110.244 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 7.3 tmtt? -63.33 -40.1 96.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.439 -0.8 . . . . 73.340000000000003 110.758 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -78.68 -64.29 1.21 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.299 0.481 . . . . 73.409999999999997 112.299 -177.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 46.3 m -78.14 -38.41 43.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 63.030000000000001 112.148 -169.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.505 ' HG ' ' CE1' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -83.31 -13.61 54.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.077 0.465 . . . . 73.549999999999997 109.841 179.219 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.4 t 60.28 37.83 20.15 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.671 -0.695 . . . . 41.409999999999997 110.045 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.433 ' O ' ' HA ' ' A' ' 65' ' ' LYS . 0.9 OUTLIER -101.38 156.3 17.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.791 -0.641 . . . . 72.430000000000007 110.308 178.426 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.08 169.29 16.05 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.421 -0.585 . . . . 75.030000000000001 109.421 174.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -32.5 74.19 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.928 -0.309 . . . . 61.219999999999999 110.288 -175.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.3 m -58.27 -46.64 85.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.132 0.491 . . . . 75.209999999999994 110.664 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -77.26 -37.11 53.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.856 -0.611 . . . . 73.030000000000001 110.647 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.72 -45.43 92.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.958 -0.564 . . . . 63.149999999999999 111.066 179.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -65.21 -36.73 85.08 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 116.285 -0.416 . . . . 74.230000000000004 110.888 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -68.18 -39.91 82.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.806 0.336 . . . . 51.43 110.126 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.418 ' O ' HG13 ' A' ' 82' ' ' ILE . 9.4 t-20 -62.38 -43.49 98.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.06 -0.518 . . . . 65.109999999999999 110.01 177.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.528 HD23 HD12 ' A' ' 82' ' ' ILE . 73.7 mt -66.04 -30.25 70.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.9 -0.591 . . . . 64.0 110.761 176.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.6 m -69.05 -39.37 79.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.542 -0.299 . . . . 75.219999999999999 110.894 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.6 p -69.84 -26.29 64.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.982 0.42 . . . . 75.209999999999994 110.51 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.528 HD12 HD23 ' A' ' 79' ' ' LEU . 79.3 mt -72.92 -38.07 55.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.634 -0.506 . . . . 64.430000000000007 109.634 172.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.449 ' O ' ' HB2' ' A' ' 87' ' ' SER . 46.5 tttm -59.97 -29.72 68.62 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 116.099 -0.5 . . . . 65.019999999999996 110.508 177.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.7 mm -54.2 -49.64 61.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 121.39 -0.124 . . . . 71.019999999999996 111.229 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.632 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -74.4 -33.15 62.94 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 120.606 -0.438 . . . . 75.319999999999993 110.358 -178.008 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 90' ' ' ILE . 89.0 t -67.4 -47.08 82.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.242 0.544 . . . . 73.310000000000002 110.434 177.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.459 ' HA ' HD12 ' A' ' 90' ' ' ILE . 0.4 OUTLIER -63.93 -36.8 85.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.351 -0.841 . . . . 73.420000000000002 110.997 178.803 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.89 -39.06 90.28 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.22 0.533 . . . . 72.120000000000005 110.117 174.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.583 ' HB1' ' HB3' ' A' ' 94' ' ' TYR . . . -66.33 -24.48 66.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.648 -0.706 . . . . 73.120000000000005 111.281 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 86' ' ' VAL . 81.7 mt -66.22 -45.87 88.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.955 0.407 . . . . 64.329999999999998 109.994 175.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt -68.6 -32.2 71.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.956 -0.565 . . . . 75.209999999999994 111.003 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.474 ' HD3' ' O ' ' A' ' 92' ' ' LYS . 12.3 tmtt? -66.24 -35.38 80.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.24 0.543 . . . . 71.200000000000003 109.718 176.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.26 11.86 28.52 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.843 -0.694 . . . . 70.120000000000005 111.696 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.583 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 13.4 t80 -85.98 -49.17 8.03 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.734 -0.469 . . . . 72.510000000000005 109.734 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.508 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 95.7 mmm -98.41 134.95 40.69 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.709 -0.678 . . . . 61.229999999999997 109.776 176.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -73.42 -45.32 55.21 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.245 0.545 . . . . 72.540000000000006 109.984 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -150.18 175.17 12.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.305 -0.861 . . . . 52.420000000000002 109.037 176.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 101' ' ' LYS . 1.5 p30 -83.86 156.66 64.25 Favored Pre-proline 0 N--CA 1.445 -0.683 0 N-CA-C 109.946 -0.391 . . . . 52.340000000000003 109.946 177.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.01 -6.82 20.07 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 122.618 2.212 . . . . 60.310000000000002 112.75 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.723 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 97.3 m-85 -85.62 -19.14 31.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.341 -0.39 . . . . 71.209999999999994 110.582 -178.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 12.9 mmtt -47.75 -51.65 21.44 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.66 -0.7 . . . . 72.140000000000001 112.229 172.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -110.55 9.2 23.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.257 0.551 . . . . 72.409999999999997 110.32 -175.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.723 ' HB2' ' HA ' ' A' ' 100' ' ' PHE . 85.9 t80 -56.53 -58.81 6.44 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.398 -0.819 . . . . 63.43 111.425 -176.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -98.31 -59.88 0.92 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.619 -0.8 . . . . 62.049999999999997 111.339 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.6 pp -161.7 129.35 4.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.99 0.424 . . . . 74.030000000000001 110.219 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.87 -68.86 0.61 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.163 -0.68 . . . . 75.310000000000002 109.163 173.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -157.29 -30.12 0.08 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.222 -0.444 . . . . 75.040000000000006 111.639 176.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 61.91 -165.08 0.23 Allowed 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 109.323 -0.621 . . . . 72.510000000000005 109.323 -169.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -171.32 108.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.518 -0.473 . . . . 75.129999999999995 110.918 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -66.07 118.08 9.32 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.567 -0.531 . . . . 74.420000000000002 109.567 175.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -132.24 21.87 4.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.39 -0.368 . . . . 63.100000000000001 111.848 -173.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.594 -0.717 . . . . 74.430000000000007 109.81 176.09 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.5 mtt . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.61 0.243 . . . . 73.040000000000006 110.638 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -130.55 80.83 1.97 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.648 -0.251 . . . . 54.219999999999999 110.562 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.7 t30 50.76 81.82 0.25 Allowed Pre-proline 0 N--CA 1.47 0.542 0 O-C-N 123.875 0.734 . . . . 63.439999999999998 111.325 -177.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -78.14 142.41 19.31 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.507 2.138 . . . . 70.219999999999999 112.145 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 t -79.0 77.72 5.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.378 0.609 . . . . 52.43 109.377 177.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -135.6 14.18 3.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.762 0.791 . . . . 52.420000000000002 110.154 -176.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -73.72 121.0 20.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.038 -0.983 . . . . 73.150000000000006 110.158 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -92.52 -6.59 49.4 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.004 -0.543 . . . . 65.530000000000001 111.083 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.941 ' HB3' ' HA ' ' A' ' 44' ' ' CYS . 13.6 p -144.55 150.34 37.35 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.456 -0.793 . . . . 70.420000000000002 110.668 -178.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.543 ' CE1' HG12 ' A' ' 82' ' ' ILE . 5.4 p90 -70.48 -26.7 63.74 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.776 -0.453 . . . . 64.299999999999997 109.776 177.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.417 ' HD1' ' CD ' ' A' ' 45' ' ' GLU . 20.7 m80 -58.57 -39.36 80.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.98 -0.555 . . . . 70.019999999999996 110.472 175.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.521 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 19.4 t70 -79.59 -39.78 30.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.825 0.345 . . . . 74.209999999999994 110.169 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -57.36 -52.55 64.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.699 -0.682 . . . . 72.340000000000003 110.982 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.664 HG11 ' HB ' ' A' ' 81' ' ' THR . 84.1 t -61.08 -41.69 90.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.394 . . . . 65.430000000000007 110.751 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.94 -38.55 82.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 65.010000000000005 111.204 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.9 t -74.4 -40.96 61.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.457 -0.338 . . . . 64.549999999999997 110.737 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.485 ' O ' ' HB ' ' A' ' 20' ' ' THR . 63.3 t80 -68.85 -37.76 79.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.114 0.483 . . . . 74.510000000000005 110.273 179.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.732 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 41.9 ttm -69.12 -33.46 73.51 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.546 -0.539 . . . . 74.239999999999995 109.546 176.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -64.99 -32.0 73.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.372 -0.831 . . . . 64.129999999999995 109.827 173.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.485 ' HB ' ' O ' ' A' ' 17' ' ' TYR . 88.9 m -59.48 -51.87 68.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.705 -0.68 . . . . 64.200000000000003 111.43 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.732 ' CE2' ' HA ' ' A' ' 18' ' ' MET . 47.7 p90 -87.65 -2.36 58.56 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 120.147 -0.621 . . . . 73.239999999999995 110.915 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.629 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 38.7 t -68.73 -10.64 57.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.061 -0.518 . . . . 52.450000000000003 110.773 174.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -65.59 -28.57 69.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.315 -0.402 . . . . 75.319999999999993 111.235 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.442 ' HD2' ' C ' ' A' ' 24' ' ' ARG . 4.5 ppt_? -113.03 3.93 16.42 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.794 0.664 . . . . 72.099999999999994 112.794 -172.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.629 ' HG ' ' HA ' ' A' ' 22' ' ' SER . 2.7 pp -110.37 159.39 17.49 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.3 0.571 . . . . 75.120000000000005 111.387 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -71.81 148.12 46.55 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-N 115.135 -0.939 . . . . 71.120000000000005 109.283 169.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.8 mm -63.74 -25.43 38.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 116.088 -0.505 . . . . 74.329999999999998 111.114 -174.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -53.81 -46.5 67.7 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 121.333 -0.46 . . . . 65.420000000000002 113.777 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.7 t -73.3 -40.28 64.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 117.207 0.503 . . . . 70.299999999999997 110.94 -178.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.416 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 82.7 t80 -60.48 -53.42 57.7 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.0 0.428 . . . . 52.310000000000002 110.951 175.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.565 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 50.7 ttt180 -63.51 -28.02 69.66 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.685 -0.689 . . . . 61.299999999999997 111.874 -177.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 8.2 t-160 -52.4 -32.73 40.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.63 -0.714 . . . . 73.099999999999994 111.706 -176.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -134.16 24.14 3.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.38 0.61 . . . . 75.209999999999994 110.18 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.565 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 14.7 tmtt? -77.11 -41.13 43.26 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.098 -0.955 . . . . 73.219999999999999 111.492 -173.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.1 m -85.64 -28.91 24.45 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.215 -0.448 . . . . 72.540000000000006 111.222 -174.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.7 t -53.19 -62.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.923 -0.58 . . . . 64.329999999999998 111.942 -174.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -61.36 -34.45 75.33 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.482 -0.781 . . . . 73.510000000000005 112.362 -173.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.521 ' NH2' ' HA ' ' A' ' 12' ' ' ASP . 23.4 mmt180 -77.88 -26.64 49.33 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.795 0.295 . . . . 71.140000000000001 111.795 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 tmmm? -70.14 -11.87 61.2 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.889 0.376 . . . . 73.140000000000001 111.522 -174.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.561 ' HD1' ' HG2' ' A' ' 42' ' ' GLU . 6.5 t80 -63.69 -22.92 67.15 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.166 0.508 . . . . 70.349999999999994 109.797 176.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.7 tptm 70.56 27.96 3.69 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.273 -0.876 . . . . 75.5 111.975 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.561 ' HG2' ' HD1' ' A' ' 40' ' ' PHE . 10.4 mm-40 -77.95 144.06 37.11 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.662 -0.496 . . . . 73.409999999999997 109.662 173.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -89.87 -73.64 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.04 0.448 . . . . 64.109999999999999 111.033 -175.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.941 ' HA ' ' HB3' ' A' ' 9' ' ' SER . 70.9 m -145.22 87.02 1.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.253 -0.431 . . . . 73.400000000000006 110.955 -178.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.561 ' OE2' ' HB2' ' A' ' 9' ' ' SER . 2.8 pm0 -87.05 112.87 22.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.486 0.66 . . . . 70.109999999999999 110.347 176.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -115.75 69.76 0.27 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.997 -0.62 . . . . 64.109999999999999 111.861 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.635 HD13 ' H ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -96.65 164.31 12.65 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 111.824 0.305 . . . . 61.340000000000003 111.824 -177.158 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.4 ' HB3' ' H ' ' A' ' 49' ' ' PHE . 80.9 mm-40 -118.56 -164.33 1.02 Allowed 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 112.355 0.502 . . . . 70.329999999999998 112.355 -174.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.473 ' CD1' ' HE2' ' A' ' 94' ' ' TYR . 25.6 p90 -56.47 -43.53 79.68 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.576 0.954 . . . . 71.329999999999998 113.576 -168.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -79.62 -16.77 55.23 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.431 -0.508 . . . . 74.219999999999999 110.626 -175.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.442 ' CB ' ' HB2' ' A' ' 47' ' ' LEU . 5.6 mp0 -83.38 -39.11 21.11 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.472 -0.566 . . . . 73.040000000000006 109.472 176.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.454 HD23 HD21 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -83.55 83.46 7.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.435 0.636 . . . . 70.310000000000002 109.44 177.412 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -129.37 174.31 9.74 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.546 -0.752 . . . . 63.439999999999998 110.166 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.751 ' HG3' ' HA ' ' A' ' 103' ' ' PHE . 3.3 tm-20 -55.73 -40.66 72.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.969 0.414 . . . . 73.340000000000003 109.984 176.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -55.67 -39.41 70.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.541 -0.754 . . . . 63.25 111.315 177.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -68.58 -47.91 65.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.483 -0.326 . . . . 64.109999999999999 110.659 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.95 -43.15 86.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 64.439999999999998 110.38 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -65.92 -47.99 72.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.71 -0.677 . . . . 61.210000000000001 110.623 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.79 -44.47 93.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 51.130000000000003 111.134 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -61.99 -41.01 97.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.842 -0.617 . . . . 70.450000000000003 110.073 -179.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.4 tp -65.33 -48.49 72.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.537 -0.756 . . . . 60.310000000000002 111.112 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 76.2 mt -63.47 -46.2 95.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.936 -0.575 . . . . 42.450000000000003 111.04 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -57.94 -37.61 74.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.153 0.501 . . . . 75.430000000000007 110.647 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.725 ' HG2' ' HB2' ' A' ' 75' ' ' ALA . 14.7 tpp -58.63 -45.74 88.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.344 -0.844 . . . . 73.549999999999997 110.789 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 69' ' ' CYS . 12.7 tmtt? -79.59 -39.91 30.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.795 -0.638 . . . . 73.120000000000005 110.771 -177.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -73.33 -63.69 1.14 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.373 -0.376 . . . . 73.349999999999994 111.799 -175.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.5 m -79.98 -47.26 15.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.397 -0.365 . . . . 64.450000000000003 111.633 -174.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 64' ' ' MET . 88.7 mt -83.55 -18.36 38.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.583 -0.28 . . . . 73.040000000000006 111.127 -176.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 76.4 m 64.58 28.76 13.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.205 -0.452 . . . . 72.129999999999995 111.334 178.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.685 ' HB2' ' HG3' ' A' ' 64' ' ' MET . 0.9 OUTLIER -91.45 160.0 15.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.281 -0.418 . . . . 74.140000000000001 109.9 177.21 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.74 161.2 27.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.613 -0.267 . . . . 73.209999999999994 110.745 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -62.49 -36.48 82.64 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.443 -0.344 . . . . 64.329999999999998 110.087 178.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.579 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 14.8 m -56.85 -47.1 81.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.916 0.389 . . . . 71.099999999999994 110.483 177.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.7 m -60.71 -47.03 88.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.948 -0.569 . . . . 71.120000000000005 110.677 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.725 ' HB2' ' HG2' ' A' ' 64' ' ' MET . . . -61.04 -41.24 96.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.64 -0.709 . . . . 73.549999999999997 111.188 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -61.42 -34.0 74.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.96 -0.564 . . . . 63.509999999999998 111.544 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.579 ' HG2' ' O ' ' A' ' 73' ' ' SER . 14.9 mmt180 -69.28 -41.88 76.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.378 0.608 . . . . 65.0 109.887 177.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -62.74 -46.72 86.76 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.513 -0.767 . . . . 74.129999999999995 110.267 176.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.472 HD23 HD12 ' A' ' 82' ' ' ILE . 94.5 mt -66.21 -31.36 72.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.797 -0.638 . . . . 74.519999999999996 111.98 -178.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.539 ' O ' ' HB2' ' A' ' 83' ' ' LYS . 95.7 p -65.44 -22.36 66.75 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.136 -0.225 . . . . 73.0 111.577 -177.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.664 ' HB ' HG11 ' A' ' 14' ' ' VAL . 54.5 p -75.37 -40.2 58.32 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.449 -0.575 . . . . 72.400000000000006 109.449 176.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.543 HG12 ' CE1' ' A' ' 10' ' ' PHE . 66.9 mt -60.51 -32.66 51.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.602 -0.726 . . . . 72.409999999999997 109.982 176.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.539 ' HB2' ' O ' ' A' ' 80' ' ' SER . 31.0 mmtp -50.46 -44.64 55.69 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.696 -0.683 . . . . 73.209999999999994 111.364 175.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.3 mm -59.59 -44.45 93.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.54 -0.3 . . . . 63.420000000000002 110.747 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -65.67 -49.47 68.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.112 0.482 . . . . 63.509999999999998 110.253 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.523 ' O ' HG13 ' A' ' 90' ' ' ILE . 95.9 t -60.74 -51.67 70.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.403 -0.817 . . . . 50.219999999999999 110.598 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 m -59.1 -40.87 86.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.807 -0.633 . . . . 73.299999999999997 111.845 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.12 -38.03 89.35 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.064 0.459 . . . . 62.130000000000003 110.449 176.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.635 ' HA ' ' HA3' ' A' ' 93' ' ' GLY . . . -70.98 -24.26 62.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.812 -0.631 . . . . 63.43 111.247 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 86' ' ' VAL . 81.3 mt -81.62 -36.91 14.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 120.961 0.41 . . . . 72.340000000000003 110.394 176.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -68.36 -45.32 73.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.068 -0.515 . . . . 74.319999999999993 110.122 -178.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -163.82 64.71 0.16 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.995 -0.548 . . . . 52.200000000000003 110.185 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.635 ' HA3' ' HA ' ' A' ' 89' ' ' ALA . . . -136.16 -83.84 0.16 Allowed Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.248 -0.977 . . . . 44.43 112.928 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.473 ' HE2' ' CD1' ' A' ' 49' ' ' PHE . 32.2 t80 -161.4 -29.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.874 0.369 . . . . 63.149999999999999 110.88 -172.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.441 ' SD ' ' HA ' ' A' ' 49' ' ' PHE . 95.6 mmm -71.78 124.57 25.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 75.219999999999999 110.639 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -84.39 -42.18 15.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.492 -0.322 . . . . 74.5 111.552 -177.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -121.16 167.52 12.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.317 . . . . 51.049999999999997 110.782 -174.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.459 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 11.0 m-20 -87.33 142.2 33.16 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.856 -0.611 . . . . 64.409999999999997 110.231 178.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 5.6 Cg_exo -82.65 -35.57 0.3 Allowed 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.839 2.359 . . . . 71.129999999999995 112.47 176.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.475 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 39.0 p90 -80.45 -29.24 37.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.257 -0.429 . . . . 72.409999999999997 111.608 -174.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -47.05 -47.67 22.54 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 122.855 0.462 . . . . 74.319999999999993 112.23 175.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.7 ' HB3' ' HB2' ' A' ' 106' ' ' GLU . 10.1 m-20 -109.41 27.08 9.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.854 -0.612 . . . . 62.039999999999999 111.102 -175.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.751 ' HA ' ' HG3' ' A' ' 54' ' ' GLU . 49.0 t80 -71.8 82.27 0.89 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.766 -0.652 . . . . 74.319999999999993 109.55 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.36 -15.95 59.59 Favored Glycine 0 C--N 1.319 -0.383 0 CA-C-N 115.396 -0.82 . . . . 74.049999999999997 111.367 -177.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.621 ' HB3' ' HA ' ' A' ' 102' ' ' ASP . 46.2 tp -88.06 -16.7 32.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.521 0.677 . . . . 73.030000000000001 110.343 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.7 ' HB2' ' HB3' ' A' ' 102' ' ' ASP . 1.5 tm-20 -74.69 127.73 33.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.544 -0.753 . . . . 54.439999999999998 109.441 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -85.72 42.54 0.97 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.137 0.421 . . . . 60.140000000000001 112.137 -174.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 20.1 m170 69.72 90.84 0.09 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.539 0.685 . . . . 74.049999999999997 112.631 172.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -60.14 123.83 18.39 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.41 -0.959 . . . . 73.310000000000002 108.41 167.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -48.72 -40.24 27.73 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.371 0.419 . . . . 73.530000000000001 112.009 -172.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 177.07 -80.26 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.384 -0.969 . . . . 74.510000000000005 108.384 173.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 . . . . . 0 C--O 1.244 0.788 0 N-CA-C 108.998 -0.741 . . . . 73.140000000000001 108.998 173.192 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.439 ' CE ' ' HB3' ' A' ' 4' ' ' PRO . 81.2 mtp . . . . . 0 N--CA 1.484 1.255 0 N-CA-C 109.903 -0.406 . . . . 53.520000000000003 109.903 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -101.39 -62.17 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.109 0.48 . . . . 73.150000000000006 110.19 -178.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -137.24 85.29 22.2 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.74 -0.664 . . . . 74.150000000000006 110.363 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.855 ' HD2' ' HE1' ' A' ' 7' ' ' PHE . 76.8 Cg_endo -78.49 -4.9 14.55 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.759 2.306 . . . . 62.409999999999997 113.22 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 m 62.14 26.45 15.9 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.23 0.538 . . . . 73.299999999999997 110.853 -177.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -93.31 4.21 54.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.797 0.808 . . . . 71.420000000000002 110.174 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.855 ' HE1' ' HD2' ' A' ' 4' ' ' PRO . 0.3 OUTLIER -103.03 107.93 18.92 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.949 -1.023 . . . . 75.420000000000002 111.703 -176.383 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -102.28 -9.37 20.45 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.069 -0.969 . . . . 73.230000000000004 109.791 176.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.419 ' OG ' ' HA ' ' A' ' 45' ' ' GLU . 4.8 m -98.3 139.66 33.73 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 114.541 -1.209 . . . . 52.119999999999997 110.347 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.843 ' HE1' ' HB2' ' A' ' 44' ' ' CYS . 32.9 p90 -59.69 -42.41 92.91 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 120.503 0.192 . . . . 71.540000000000006 111.231 -177.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.677 ' HB2' ' HG3' ' A' ' 38' ' ' ARG . 8.7 p-80 -65.91 -28.28 68.82 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.995 0.426 . . . . 71.409999999999997 110.653 -178.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.444 ' OD1' ' HB3' ' A' ' 7' ' ' PHE . 5.0 t70 -80.85 -45.43 16.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.909 -0.587 . . . . 72.519999999999996 109.663 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -56.58 -51.43 68.63 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.061 -0.972 . . . . 61.340000000000003 110.213 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.558 ' O ' ' HB2' ' A' ' 18' ' ' MET . 88.9 t -57.16 -49.53 79.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.811 -0.631 . . . . 73.310000000000002 110.718 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.6 -30.86 67.56 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.84 0.311 . . . . 43.240000000000002 111.84 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.4 t -84.21 -51.55 6.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.808 0.337 . . . . 54.0 110.809 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -70.62 -30.59 67.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.334 -0.394 . . . . 70.219999999999999 111.242 -174.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.558 ' HB2' ' O ' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -63.2 -29.54 70.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.35 -0.386 . . . . 71.109999999999999 110.213 -178.607 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -60.11 -46.79 88.45 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.001 0.429 . . . . 74.120000000000005 110.401 176.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -62.41 -35.89 80.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.727 -0.67 . . . . 73.150000000000006 110.566 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -77.05 -29.37 55.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.815 -0.63 . . . . 75.140000000000001 110.362 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.595 ' HA ' ' CD1' ' A' ' 25' ' ' LEU . 43.3 t -67.82 -10.58 54.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.596 -0.729 . . . . 54.109999999999999 111.187 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.448 ' HA ' ' NE ' ' A' ' 23' ' ' ARG . 5.4 mmp_? -77.94 -10.77 59.75 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.131 0.491 . . . . 74.019999999999996 110.833 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -104.63 -23.01 13.15 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.775 -0.648 . . . . 74.319999999999993 112.062 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.595 ' CD1' ' HA ' ' A' ' 22' ' ' SER . 1.8 pp -113.89 171.58 7.5 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.075 0.464 . . . . 64.439999999999998 111.763 -176.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -75.4 154.3 37.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.567 -0.742 . . . . 73.340000000000003 110.194 176.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.1 mm -61.5 -36.01 70.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.071 -0.513 . . . . 74.319999999999993 110.478 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -63.17 -31.31 80.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.099 -0.572 . . . . 74.109999999999999 112.159 178.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.0 m -73.44 -49.35 27.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.069 0.462 . . . . 71.140000000000001 109.945 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.474 ' HB2' HD11 ' A' ' 25' ' ' LEU . 67.9 t80 -56.56 -51.75 67.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.353 -0.84 . . . . 72.349999999999994 110.815 177.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -65.49 -30.3 71.05 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.363 -0.835 . . . . 70.420000000000002 112.012 -176.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.439 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 8.4 t-80 -62.7 -34.99 78.28 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.08 -0.248 . . . . 74.299999999999997 110.683 -175.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.535 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 53.9 p-80 -151.82 77.58 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.628 0.728 . . . . 71.25 110.997 174.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -95.31 -42.82 8.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.221 0.534 . . . . 71.019999999999996 111.132 177.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.832 ' HB3' ' HB3' ' A' ' 38' ' ' ARG . 14.8 m -77.06 -54.41 6.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.748 -0.66 . . . . 73.099999999999994 111.029 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.535 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 61.8 m 53.95 -86.82 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.532 0.733 . . . . 44.329999999999998 112.128 -178.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -71.18 -36.09 71.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.05 0.452 . . . . 71.230000000000004 109.815 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.832 ' HB3' ' HB3' ' A' ' 35' ' ' SER . 32.7 ttt-85 -63.65 -33.73 76.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.453 -0.794 . . . . 64.109999999999999 109.85 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.48 -44.01 97.85 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 114.737 -1.12 . . . . 75.319999999999993 109.875 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.401 ' CE1' HD21 ' A' ' 68' ' ' LEU . 79.9 t80 -75.14 -44.21 48.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.705 -0.68 . . . . 70.140000000000001 110.426 177.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -153.98 110.81 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 122.024 0.916 . . . . 64.019999999999996 110.965 -177.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.413 ' H ' ' HG2' ' A' ' 42' ' ' GLU . 8.2 pt-20 -91.17 21.95 4.06 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.88 -1.055 . . . . 73.409999999999997 110.767 177.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -96.72 -165.08 1.22 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.646 -0.706 . . . . 71.549999999999997 109.742 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.843 ' HB2' ' HE1' ' A' ' 10' ' ' PHE . 83.0 m 68.63 98.57 0.06 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.615 0.721 . . . . 75.420000000000002 111.568 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.419 ' HA ' ' OG ' ' A' ' 9' ' ' SER . 3.4 tm-20 -114.71 117.17 30.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.036 -0.984 . . . . 74.319999999999993 109.502 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.8 92.87 1.93 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.767 -0.73 . . . . 55.200000000000003 112.67 -179.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.1 tt -126.52 118.79 25.63 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.371 -0.603 . . . . 71.239999999999995 109.371 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -96.76 -178.12 4.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.431 0.634 . . . . 62.200000000000003 111.758 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -67.02 -31.54 72.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.026 -0.988 . . . . 63.149999999999999 110.975 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -63.42 -32.11 73.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.503 -0.772 . . . . 71.430000000000007 110.603 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -80.34 -46.47 16.05 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.738 -0.665 . . . . 73.200000000000003 110.538 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.24 89.74 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.257 0.551 . . . . 73.420000000000002 109.616 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.7 p -134.74 166.54 22.72 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.862 -0.608 . . . . 53.039999999999999 111.09 -176.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -53.74 -38.83 64.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.928 -0.578 . . . . 62.119999999999997 110.715 176.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -59.33 -41.09 88.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.659 -0.701 . . . . 75.439999999999998 111.297 177.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -63.04 -48.01 80.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 60.219999999999999 110.092 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.45 -42.76 88.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.716 -0.674 . . . . 72.329999999999998 110.72 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.401 ' O ' HG13 ' A' ' 62' ' ' ILE . 31.4 ttt180 -66.31 -46.41 77.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.433 -0.349 . . . . 75.150000000000006 111.407 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.33 -40.38 96.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.853 0.358 . . . . 72.099999999999994 110.827 -176.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -68.54 -32.61 72.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.21 -0.45 . . . . 72.150000000000006 110.163 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.0 tp -65.33 -48.35 73.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.54 . . . . 74.329999999999998 110.559 175.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 58' ' ' ARG . 67.6 mt -60.18 -46.46 94.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.812 -0.631 . . . . 73.5 110.259 176.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -57.17 -40.44 77.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.349 0.595 . . . . 64.340000000000003 110.168 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.701 ' HG2' ' HB2' ' A' ' 75' ' ' ALA . 19.0 tpp -60.04 -42.62 94.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.4 -0.818 . . . . 62.229999999999997 110.963 178.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.547 ' O ' ' HA ' ' A' ' 69' ' ' CYS . 12.6 tmtt? -80.26 -38.92 29.97 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.82 -0.627 . . . . 74.540000000000006 110.698 -175.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -77.9 -65.38 0.98 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.231 -0.44 . . . . 74.239999999999995 111.685 -176.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.6 m -79.59 -45.1 19.8 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.014 -0.539 . . . . 71.420000000000002 111.653 -170.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.401 HD21 ' CE1' ' A' ' 40' ' ' PHE . 92.9 mt -85.62 -21.96 28.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.243 -0.435 . . . . 74.230000000000004 110.755 -178.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 50.8 m 59.81 77.79 0.3 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.739 -0.664 . . . . 62.109999999999999 111.537 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.438 ' H ' ' HA ' ' A' ' 65' ' ' LYS . 51.3 m-80 -142.12 157.4 44.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 73.430000000000007 109.95 178.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.46 168.2 19.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.353 -0.385 . . . . 72.510000000000005 110.459 177.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -62.11 -30.75 71.23 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.556 -0.293 . . . . 73.439999999999998 110.436 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.651 ' O ' ' HD3' ' A' ' 77' ' ' ARG . 8.4 m -57.03 -55.07 39.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.329 . . . . 62.109999999999999 110.465 178.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.2 m -62.96 -40.76 98.69 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.121 -0.49 . . . . 55.350000000000001 110.954 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.701 ' HB2' ' HG2' ' A' ' 64' ' ' MET . . . -65.93 -42.43 90.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.684 -0.689 . . . . 71.230000000000004 111.763 -177.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.433 ' HA ' ' OE1' ' A' ' 76' ' ' GLN . 12.8 mm-40 -63.16 -31.42 72.56 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 116.416 -0.356 . . . . 64.530000000000001 111.528 -177.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.651 ' HD3' ' O ' ' A' ' 73' ' ' SER . 11.6 mpt_? -60.16 -43.44 95.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.914 0.387 . . . . 74.209999999999994 110.367 174.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -67.29 -51.01 57.95 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.032 -0.531 . . . . 73.109999999999999 110.452 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.45 -33.4 74.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.52 -0.764 . . . . 41.409999999999997 111.256 -178.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.62 ' O ' HG13 ' A' ' 84' ' ' ILE . 16.1 t -66.5 -33.64 76.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.537 -0.301 . . . . 73.109999999999999 110.414 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.1 m -62.79 -41.83 99.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.365 0.602 . . . . 73.230000000000004 109.695 176.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.532 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 91.2 mt -65.27 -43.29 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.603 -0.726 . . . . 71.420000000000002 110.019 173.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.515 ' O ' ' HB2' ' A' ' 87' ' ' SER . 10.8 tmtt? -57.24 -33.92 68.06 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.097 -0.956 . . . . 72.430000000000007 110.939 -178.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.62 HG13 ' O ' ' A' ' 80' ' ' SER . 84.5 mt -61.02 -54.83 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 111.564 0.209 . . . . 75.409999999999997 111.564 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.532 ' CE2' ' HA ' ' A' ' 82' ' ' ILE . 14.4 p90 -73.96 -28.97 61.75 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 120.369 -0.532 . . . . 72.299999999999997 110.74 -173.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.545 ' O ' HG13 ' A' ' 90' ' ' ILE . 98.0 t -72.81 -40.7 61.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.27 -0.423 . . . . 44.310000000000002 110.299 176.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.515 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 0.6 OUTLIER -58.46 -36.55 73.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.051 -0.522 . . . . 73.310000000000002 111.828 -178.548 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.46 -44.41 76.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.061 0.458 . . . . 75.230000000000004 110.044 175.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.579 ' HA ' ' HA3' ' A' ' 93' ' ' GLY . . . -72.63 -22.96 60.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.408 -0.815 . . . . 61.5 111.338 178.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.757 HD13 ' HA ' ' A' ' 98' ' ' ASP . 81.0 mt -78.45 -45.2 26.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.152 0.501 . . . . 71.319999999999993 111.278 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.408 ' HD3' ' O ' ' A' ' 87' ' ' SER . 4.0 mptp? -78.56 -41.06 33.03 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.129 -0.487 . . . . 61.299999999999997 110.417 -174.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -149.82 71.13 1.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.46 0.648 . . . . 64.109999999999999 110.435 175.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.579 ' HA3' ' HA ' ' A' ' 89' ' ' ALA . . . -151.0 -90.37 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.361 -0.836 . . . . 64.129999999999995 112.795 175.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -143.88 -33.97 0.4 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.055 0.455 . . . . 73.25 110.854 -174.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.681 ' HB2' ' HA ' ' A' ' 90' ' ' ILE . 96.9 mmm -68.37 127.93 34.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.92 -0.582 . . . . 75.299999999999997 110.505 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.24 -48.02 45.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.087 -0.506 . . . . 64.510000000000005 111.374 -175.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -137.36 161.38 36.43 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.652 -0.499 . . . . 74.420000000000002 109.652 -175.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.757 ' HA ' HD13 ' A' ' 90' ' ' ILE . 4.0 m-20 -73.94 140.98 77.85 Favored Pre-proline 0 C--N 1.322 -0.605 0 O-C-N 123.481 0.488 . . . . 60.399999999999999 109.927 178.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 3.7 Cg_exo -78.79 -22.67 8.77 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.91 2.407 . . . . 74.019999999999996 113.552 -176.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.438 ' CD1' ' HB3' ' A' ' 98' ' ' ASP . 7.6 p90 -78.91 -9.07 59.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.114 0.483 . . . . 63.340000000000003 111.077 -175.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.8 -41.1 56.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.006 -0.997 . . . . 75.430000000000007 112.201 -177.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.636 ' HA ' ' HB2' ' A' ' 106' ' ' GLU . 27.2 t70 -106.81 -38.94 5.94 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.733 -0.387 . . . . 51.409999999999997 110.543 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 9.9 t80 46.91 32.95 2.0 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 114.962 -1.017 . . . . 71.450000000000003 112.41 174.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 92.05 65.51 1.13 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.573 -0.822 . . . . 74.010000000000005 112.054 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 49.2 tp 71.84 89.09 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 123.574 0.75 . . . . 73.129999999999995 111.253 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.636 ' HB2' ' HA ' ' A' ' 102' ' ' ASP . 4.0 tt0 -77.21 -82.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.313 -0.858 . . . . 73.140000000000001 110.08 175.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -146.06 12.41 1.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.417 -0.957 . . . . 61.530000000000001 108.417 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 55.19 61.97 2.69 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 114.918 -1.037 . . . . 55.240000000000002 110.277 -175.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -94.31 125.65 39.07 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.086 -0.709 . . . . 63.009999999999998 109.086 173.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -60.56 120.09 9.32 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.557 -0.535 . . . . 64.150000000000006 109.557 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -52.03 127.57 21.85 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.749 0.655 . . . . 72.230000000000004 112.278 -170.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 . . . . . 0 C--O 1.25 1.103 0 CA-C-N 114.926 -1.034 . . . . 73.109999999999999 108.848 175.063 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 110.237 -0.283 . . . . 72.530000000000001 110.237 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.515 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 28.6 t-20 -153.69 117.34 4.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.306 -0.407 . . . . 75.409999999999997 109.932 177.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -105.41 88.19 2.51 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.944 -0.571 . . . . 65.430000000000007 109.6 176.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.652 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 3.1 Cg_endo -79.48 89.1 1.38 Allowed 'Trans proline' 0 N--CA 1.449 -1.134 0 C-N-CA 122.589 2.192 . . . . 73.129999999999995 112.826 -171.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 p -99.66 21.45 12.34 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.165 -0.68 . . . . 74.420000000000002 109.165 172.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -84.88 3.6 37.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.169 -0.923 . . . . 74.030000000000001 111.461 -172.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.652 ' CZ ' ' HB2' ' A' ' 4' ' ' PRO . 0.6 OUTLIER -129.43 132.21 46.93 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.294 -0.867 . . . . 71.349999999999994 110.443 175.004 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.8 ' HE3' ' HB3' ' A' ' 45' ' ' GLU . 60.3 pttt -99.96 -10.69 21.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.545 -0.752 . . . . 70.109999999999999 110.983 -177.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.808 ' HB3' ' HA ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -83.77 142.87 30.37 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 114.934 -1.03 . . . . 75.450000000000003 111.579 -175.435 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.493 ' O ' HG23 ' A' ' 14' ' ' VAL . 31.9 m-85 -66.7 -49.78 64.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.074 -0.512 . . . . 70.430000000000007 112.073 -177.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -68.18 -22.39 64.83 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.214 0.53 . . . . 73.439999999999998 110.182 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.8 -44.38 20.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.207 -0.906 . . . . 73.310000000000002 110.697 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.515 ' HA ' ' CE1' ' A' ' 7' ' ' PHE . 37.2 t80 -65.54 -44.86 85.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.865 -0.607 . . . . 75.439999999999998 110.609 179.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 10' ' ' PHE . 71.0 t -57.82 -37.03 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 116.21 -0.45 . . . . 75.239999999999995 111.283 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.49 -35.11 76.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.96 0.409 . . . . 63.100000000000001 111.187 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 t -83.43 -36.14 24.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.235 -0.439 . . . . 74.209999999999994 110.234 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -63.54 -41.74 98.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.444 -0.343 . . . . 72.140000000000001 110.488 179.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.686 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 41.1 ttm -61.7 -46.82 88.06 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.599 -0.519 . . . . 70.340000000000003 109.599 176.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -54.36 -36.92 64.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.342 -0.845 . . . . 73.219999999999999 111.028 177.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 50.7 m -55.6 -49.67 72.16 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.845 -0.616 . . . . 55.299999999999997 111.844 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.69 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 29.2 p90 -88.65 -13.26 40.24 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 120.423 -0.511 . . . . 73.209999999999994 110.946 -179.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.9 m -68.72 -8.86 46.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.798 0.332 . . . . 72.120000000000005 111.144 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -61.87 -22.17 65.31 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.43 -0.35 . . . . 74.340000000000003 111.187 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.69 ' HG2' ' O ' ' A' ' 21' ' ' TYR . 16.8 ptm180 -95.72 4.86 52.6 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.18 0.514 . . . . 73.510000000000005 110.431 177.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.435 HD12 ' HG3' ' A' ' 24' ' ' ARG . 10.3 mp -111.8 172.07 7.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.706 -0.679 . . . . 75.439999999999998 109.934 178.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -80.65 156.44 26.36 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.696 -0.853 . . . . 75.510000000000005 108.696 167.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.42 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 47.8 mt -66.5 -31.42 53.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.808 -0.441 . . . . 73.230000000000004 109.808 179.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.456 ' HA2' ' HG2' ' A' ' 31' ' ' ARG . . . -61.16 -46.85 93.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.13 -0.557 . . . . 61.420000000000002 112.319 176.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.4 m -63.72 -35.97 82.33 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.483 0.659 . . . . 74.420000000000002 110.022 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -68.21 -53.81 22.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.232 -0.895 . . . . 74.439999999999998 111.374 177.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.885 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 9.5 ptm85 -63.71 -19.91 65.31 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 111.966 0.358 . . . . 64.349999999999994 111.966 -174.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -69.68 -22.06 63.46 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.971 0.415 . . . . 72.439999999999998 111.045 176.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -98.35 -26.3 14.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.147 0.975 . . . . 61.350000000000001 108.916 172.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.885 ' HB3' ' HA ' ' A' ' 31' ' ' ARG . 1.1 tmtp? -80.58 -21.1 41.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.042 -1.435 . . . . 71.129999999999995 110.989 -173.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 p -64.17 -38.66 91.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.329 -0.396 . . . . 71.010000000000005 110.835 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.2 m -61.74 -48.89 78.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.975 -0.557 . . . . 64.510000000000005 110.099 175.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 62.1 mtt -59.55 -40.87 88.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.203 -0.908 . . . . 65.310000000000002 111.303 177.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.558 ' HG2' ' HD3' ' A' ' 34' ' ' LYS . 3.9 mmt180 -63.46 -41.5 98.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.551 -0.295 . . . . 74.319999999999993 111.434 178.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -67.88 -46.91 70.33 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.169 -0.469 . . . . 73.239999999999995 111.25 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -68.09 -26.35 65.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.400000000000006 110.117 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt 75.02 125.86 0.04 OUTLIER 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.121 -0.945 . . . . 54.32 112.532 173.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -71.34 141.33 50.43 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.078 -0.965 . . . . 75.329999999999998 109.144 170.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -128.48 -84.05 0.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.106 0.479 . . . . 72.150000000000006 111.096 -174.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 8.7 p -178.55 -34.45 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.159 -0.928 . . . . 52.210000000000001 110.238 -174.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.808 ' HA ' ' HB3' ' A' ' 9' ' ' SER . 11.2 pt-20 -159.43 -171.06 3.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.808 0.337 . . . . 65.319999999999993 110.938 177.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 166.67 -116.99 0.71 Allowed Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.306 -0.717 . . . . 61.25 111.306 -178.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.451 HD22 ' C ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -98.88 159.5 14.92 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.873 0.368 . . . . 71.209999999999994 110.131 177.447 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -120.22 -176.76 3.28 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.923 -0.58 . . . . 75.120000000000005 111.144 -174.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -60.6 -30.2 69.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.325 -0.852 . . . . 60.409999999999997 111.051 -178.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -58.83 -28.59 66.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.038 -0.983 . . . . 73.239999999999995 111.096 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -104.35 -11.03 17.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.561 -0.29 . . . . 74.030000000000001 111.12 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.405 HD21 HG21 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -71.97 86.74 1.01 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.343 -0.614 . . . . 60.130000000000003 109.343 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.41 ' O ' HD23 ' A' ' 57' ' ' LEU . 6.5 p -141.73 -178.06 5.48 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.713 -0.676 . . . . 52.340000000000003 111.082 -173.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.711 ' HG3' ' HA ' ' A' ' 103' ' ' PHE . 1.0 OUTLIER -50.17 -49.26 52.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.917 -0.583 . . . . 72.109999999999999 111.112 177.619 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.31 -33.67 75.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.788 -0.642 . . . . 75.120000000000005 111.27 -176.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.43 ' CE1' ' HG ' ' A' ' 47' ' ' LEU . 77.4 t80 -67.65 -51.6 48.08 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.181 -0.303 . . . . 73.519999999999996 110.181 178.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 53' ' ' THR . 4.5 mm? -59.29 -43.42 92.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.043 -0.526 . . . . 65.230000000000004 110.452 179.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.61 -46.07 91.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.689 -0.687 . . . . 75.540000000000006 111.137 178.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -69.3 -41.85 76.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 50.329999999999998 111.375 -178.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -69.85 -31.16 68.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.23 -0.441 . . . . 64.430000000000007 110.27 -177.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.0 tp -58.13 -52.54 65.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 60.5 109.802 173.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.0 mt -60.49 -49.15 85.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.42 -0.809 . . . . 75.319999999999993 110.965 179.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -56.25 -43.0 78.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.138 0.494 . . . . 72.319999999999993 110.884 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.454 ' O ' ' HB2' ' A' ' 68' ' ' LEU . 8.8 ttp -71.91 -42.07 67.17 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.04 0.448 . . . . 74.310000000000002 111.515 -178.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 2.9 tmtp? -69.48 -42.74 74.43 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.079 -0.51 . . . . 63.030000000000001 110.586 -178.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -90.84 -64.48 1.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.02 0.378 . . . . 73.239999999999995 112.02 -175.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.8 m -70.2 -41.94 73.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.933 0.396 . . . . 72.219999999999999 111.613 -173.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 64' ' ' MET . 79.2 mt -83.95 -11.41 56.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.43 -0.35 . . . . 74.310000000000002 110.072 178.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 73.4 m 58.11 38.85 26.51 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.717 -0.674 . . . . 71.349999999999994 111.761 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.483 ' O ' ' HA ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -100.36 160.2 14.52 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.798 -0.445 . . . . 74.25 109.798 175.442 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.28 161.58 21.41 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.12 -0.326 . . . . 61.420000000000002 110.12 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.12 -34.65 78.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.143 0.497 . . . . 73.040000000000006 110.063 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m -59.89 -34.62 73.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.39 -0.823 . . . . 73.349999999999994 110.091 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -81.88 -39.73 23.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.624 -0.716 . . . . 63.43 110.322 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.4 95.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.439 -0.801 . . . . 54.240000000000002 111.606 -178.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -56.18 -37.31 69.42 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.293 -0.412 . . . . 75.150000000000006 111.446 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 77' ' ' ARG . 5.0 mpt_? -63.57 -46.2 86.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.69 0.281 . . . . 72.439999999999998 110.816 177.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -71.54 -37.94 71.08 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.231 -0.441 . . . . 74.040000000000006 111.078 -176.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.55 -33.83 76.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.007 0.432 . . . . 72.030000000000001 110.666 177.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.636 ' O ' HG12 ' A' ' 84' ' ' ILE . 58.1 m -70.78 -19.69 62.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.973 -0.558 . . . . 62.229999999999997 112.274 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 71.4 p -62.71 -56.16 20.21 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.939 0.4 . . . . 74.310000000000002 110.727 -177.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.405 HG21 HD21 ' A' ' 52' ' ' LEU . 60.9 mt -64.81 -34.74 72.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.898 -0.592 . . . . 74.310000000000002 110.057 177.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 87' ' ' SER . 14.7 tmtt? -59.81 -34.52 73.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.39 -0.823 . . . . 63.229999999999997 111.127 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.636 HG12 ' O ' ' A' ' 80' ' ' SER . 46.0 mm -59.81 -44.94 95.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.739 0.304 . . . . 35.119999999999997 110.664 177.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -72.7 -42.21 64.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.7 0.286 . . . . 72.209999999999994 110.76 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 90' ' ' ILE . 92.2 t -62.95 -43.35 98.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.954 0.407 . . . . 70.299999999999997 110.317 178.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 2.7 m -63.12 -39.15 93.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.756 -0.657 . . . . 53.32 111.282 177.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.84 -32.07 72.34 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.198 0.523 . . . . 53.539999999999999 110.561 175.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.43 -22.34 64.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.422 -0.808 . . . . 63.549999999999997 111.321 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.65 ' HA ' ' O ' ' A' ' 95' ' ' MET . 67.5 mt -72.69 -36.94 54.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.283 0.563 . . . . 71.319999999999993 110.558 178.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -77.71 -43.15 31.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.667 -0.697 . . . . 73.420000000000002 111.013 -175.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -146.68 65.4 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.226 0.536 . . . . 72.409999999999997 110.172 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -154.83 -102.23 0.2 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.579 -0.82 . . . . 23.34 113.131 176.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -143.51 -43.43 0.28 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.734 0.302 . . . . 74.310000000000002 111.283 -172.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.65 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 98.2 mmm -63.29 110.12 1.79 Allowed 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.847 -0.615 . . . . 72.25 110.456 -175.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -93.14 -39.78 10.85 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.88 -0.6 . . . . 74.310000000000002 109.558 -177.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -114.94 111.42 21.13 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.484 -0.78 . . . . 64.120000000000005 109.889 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.615 ' HB3' HD11 ' A' ' 90' ' ' ILE . 2.4 p-10 -71.46 154.71 93.32 Favored Pre-proline 0 N--CA 1.447 -0.6 0 CA-C-N 115.296 -0.866 . . . . 54.030000000000001 111.517 -174.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 16.2 Cg_exo -68.44 -15.71 42.23 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.995 2.463 . . . . 64.230000000000004 113.465 -176.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.891 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 50.2 p90 -94.59 -16.71 22.99 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.522 -0.471 . . . . 74.200000000000003 111.591 -178.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -72.14 -20.56 61.59 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.038 -0.528 . . . . 70.109999999999999 110.683 171.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -121.94 17.94 10.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.613 0.72 . . . . 73.019999999999996 109.416 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.891 ' HB2' ' HA ' ' A' ' 100' ' ' PHE . 43.2 t80 -77.34 87.2 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.1 -0.955 . . . . 71.030000000000001 110.474 -174.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 91.24 29.46 12.47 Favored Glycine 0 C--N 1.314 -0.645 0 CA-C-N 115.582 -0.736 . . . . 50.219999999999999 112.324 175.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 81.9 mt -115.38 139.1 50.31 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.794 -0.447 . . . . 70.510000000000005 109.794 178.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.59 -69.33 0.21 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.95 -0.568 . . . . 74.540000000000006 109.621 175.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.469 ' O ' ' HB2' ' A' ' 108' ' ' HIS . 74.2 t60 54.23 -93.57 0.04 OUTLIER 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.129 -0.941 . . . . 62.530000000000001 110.737 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.501 ' HD2' ' HB3' ' A' ' 110' ' ' HIS . 46.9 t60 172.15 84.58 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.017 -0.734 . . . . 71.409999999999997 109.017 178.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -66.84 102.8 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.939 -0.763 . . . . 64.140000000000001 108.939 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.501 ' HB3' ' HD2' ' A' ' 108' ' ' HIS . 5.4 p80 -121.12 158.14 28.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.15 0.5 . . . . 75.530000000000001 112.122 -168.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -67.47 159.13 30.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.949 -1.023 . . . . 64.040000000000006 110.279 176.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 80.9 m80 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.413 -0.803 . . . . 75.150000000000006 110.591 179.66 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ttt . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.83 0.348 . . . . 70.420000000000002 110.693 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -96.7 97.66 9.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.371 0.605 . . . . 64.299999999999997 111.275 -174.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -79.51 149.78 72.29 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.409 -0.814 . . . . 75.310000000000002 109.397 171.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -44.53 -42.11 14.22 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.522 2.815 . . . . 75.420000000000002 113.825 -174.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m 59.54 23.08 11.72 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.547 0.689 . . . . 75.099999999999994 110.576 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -106.79 14.96 26.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.163 -0.926 . . . . 73.420000000000002 109.474 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.925 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 38.2 m-85 -66.34 133.52 50.7 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 114.423 -1.262 . . . . 43.420000000000002 110.395 -177.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.434 ' HG3' ' OD2' ' A' ' 12' ' ' ASP . 36.2 mttp -61.69 -35.51 78.2 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.016 -0.993 . . . . 64.319999999999993 111.953 -174.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.2 m -165.73 -175.25 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.693 -0.484 . . . . 74.209999999999994 109.693 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.52 ' O ' HG23 ' A' ' 14' ' ' VAL . 30.0 p90 -52.85 -40.99 63.84 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 123.183 0.302 . . . . 72.200000000000003 111.44 178.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -62.18 -27.31 68.88 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.051 0.453 . . . . 75.219999999999999 110.89 -177.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.925 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -79.72 -40.61 28.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.72 -0.673 . . . . 63.32 109.908 -175.189 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.402 ' HD1' ' HB2' ' A' ' 85' ' ' TYR . 26.1 t80 -65.33 -41.87 93.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.573 -0.74 . . . . 74.310000000000002 109.377 176.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 10' ' ' PHE . 79.0 t -56.56 -51.71 62.13 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 CA-C-N 115.544 -0.753 . . . . 75.420000000000002 110.796 178.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -59.06 -34.13 71.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.447 -0.342 . . . . 44.310000000000002 111.52 -176.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.3 t -68.56 -46.09 70.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.342 -0.39 . . . . 42.310000000000002 110.935 -178.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -78.16 -30.5 49.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.041 0.448 . . . . 63.0 110.617 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.467 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 33.4 tpp -60.7 -29.34 69.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.949 -0.569 . . . . 75.239999999999995 110.742 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 30.4 mmtp -58.1 -36.61 73.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 65.129999999999995 110.701 175.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 m -76.41 -27.89 56.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.488 0.661 . . . . 63.420000000000002 110.605 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -86.98 -11.16 51.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.817 -0.629 . . . . 75.120000000000005 110.859 -176.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.451 ' HA ' ' HB2' ' A' ' 25' ' ' LEU . 87.4 p -68.56 -10.09 53.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 64.109999999999999 111.929 -176.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -57.28 -26.68 61.21 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 111.808 0.299 . . . . 73.200000000000003 111.808 -176.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -120.93 29.47 7.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.957 0.408 . . . . 73.019999999999996 110.866 175.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 30' ' ' PHE . 2.6 mp -129.71 124.32 33.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.176 -0.465 . . . . 73.430000000000007 110.97 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -77.07 160.13 29.31 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.83 -0.433 . . . . 54.119999999999997 109.83 173.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.4 mm -55.38 -41.34 61.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 123.242 0.339 . . . . 62.030000000000001 111.737 -176.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.508 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -55.07 -54.88 31.04 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 116.125 -0.489 . . . . 71.340000000000003 112.881 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.1 t -76.68 -29.25 56.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.697 0.284 . . . . 72.540000000000006 110.988 -178.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.487 ' HA ' HD23 ' A' ' 25' ' ' LEU . 91.7 t80 -59.44 -54.44 46.61 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.394 -0.366 . . . . 73.140000000000001 110.587 179.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.63 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 27.5 ptt180 -76.7 -20.39 56.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.323 . . . . 72.540000000000006 110.776 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.508 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 8.2 t60 -57.31 -33.76 68.04 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 116.089 -0.505 . . . . 73.329999999999998 110.979 -177.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -118.09 21.22 12.9 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.307 0.575 . . . . 74.420000000000002 110.091 177.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.63 ' HB3' ' HA ' ' A' ' 31' ' ' ARG . 76.4 tttt -95.13 -43.75 7.96 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.425 -0.807 . . . . 61.43 110.217 179.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.9 p -76.27 -26.93 56.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.47 -0.786 . . . . 64.140000000000001 112.085 -176.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 55.8 m -53.21 -69.84 0.11 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.442 0.534 . . . . 73.209999999999994 112.442 -174.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -66.3 -25.47 66.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 71.329999999999998 111.415 -177.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -67.73 -51.28 51.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.245 0.545 . . . . 73.219999999999999 110.308 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.439 ' HB3' ' HE2' ' A' ' 39' ' ' LYS . 2.9 tmmm? -66.3 -27.79 68.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.124 -0.944 . . . . 72.409999999999997 110.765 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -77.75 -2.19 35.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.985 -0.552 . . . . 73.219999999999999 111.787 -175.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -74.77 76.95 2.08 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.443 0.639 . . . . 64.430000000000007 110.36 177.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -63.61 -43.49 96.73 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.046 -0.979 . . . . 52.229999999999997 110.122 173.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -137.5 172.36 13.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.474 -0.784 . . . . 73.540000000000006 109.281 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 73.0 m -84.67 129.36 34.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.833 0.349 . . . . 60.149999999999999 111.045 -177.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -149.88 115.78 5.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.757 -0.656 . . . . 73.299999999999997 109.274 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -81.16 -50.53 5.09 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.755 -0.736 . . . . 75.549999999999997 111.867 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.52 ' HG ' ' HB2' ' A' ' 51' ' ' GLU . 9.7 tt 67.91 109.29 0.05 OUTLIER 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.172 0.589 . . . . 63.439999999999998 110.482 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -82.19 -179.72 7.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.165 -0.47 . . . . 75.219999999999999 110.696 -178.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -62.62 -36.65 83.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.901 -0.591 . . . . 71.340000000000003 112.194 -173.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -79.88 -9.48 59.68 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.691 -0.404 . . . . 73.150000000000006 111.684 -174.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.52 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . 2.3 mp0 -88.02 -20.25 26.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.968 0.413 . . . . 75.019999999999996 110.294 175.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.16 86.76 7.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.399 0.618 . . . . 53.439999999999998 109.434 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.481 ' O ' HD23 ' A' ' 57' ' ' LEU . 39.8 p -126.84 178.48 5.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.827 -0.624 . . . . 65.209999999999994 110.83 -177.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.556 ' OE2' ' HD3' ' A' ' 58' ' ' ARG . 2.4 tm-20 -58.95 -31.8 69.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.806 -0.634 . . . . 73.0 110.193 176.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -62.34 -48.69 78.7 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 115.717 -0.674 . . . . 73.219999999999999 110.704 177.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -61.07 -44.04 97.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.55 -0.296 . . . . 64.519999999999996 110.507 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.562 HD13 HD22 ' A' ' 79' ' ' LEU . 3.9 mm? -58.55 -50.5 73.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.138 -0.483 . . . . 63.149999999999999 111.322 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.556 ' HD3' ' OE2' ' A' ' 54' ' ' GLU . 13.9 ptt180 -73.57 -26.43 60.82 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.609 -0.436 . . . . 73.540000000000006 110.995 -176.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -74.64 -44.19 51.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.722 0.296 . . . . 72.239999999999995 111.037 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -64.18 -31.76 73.08 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.698 -0.482 . . . . 62.539999999999999 109.698 -178.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 52.3 tp -57.39 -53.28 59.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.477 -0.783 . . . . 75.340000000000003 110.392 173.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 64.5 mt -67.24 -40.97 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.833 -0.621 . . . . 74.310000000000002 110.431 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -54.71 -47.49 73.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.628 -0.715 . . . . 75.519999999999996 110.459 177.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.601 ' HE1' ' HB2' ' A' ' 78' ' ' ASN . 5.2 ttp -71.56 -38.45 70.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.892 -0.595 . . . . 72.299999999999997 111.158 179.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.536 ' HE2' ' HA ' ' A' ' 71' ' ' ALA . 6.1 tmtt? -63.52 -40.55 97.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.996 -0.547 . . . . 64.129999999999995 110.735 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -84.36 -62.9 1.44 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.217 -0.447 . . . . 73.209999999999994 111.751 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.5 m -70.29 -38.26 74.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.207 -0.451 . . . . 71.0 112.017 -174.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.524 ' HB3' HD22 ' A' ' 70' ' ' ASN . 66.1 mt -99.32 -8.02 25.49 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 121.09 -0.244 . . . . 72.409999999999997 111.557 -176.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 61.4 m 65.83 9.64 6.21 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.435 0.531 . . . . 73.409999999999997 112.435 176.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.524 HD22 ' HB3' ' A' ' 68' ' ' LEU . 39.2 m-80 -83.4 149.52 26.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.911 0.386 . . . . 64.510000000000005 111.114 -177.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.536 ' HA ' ' HE2' ' A' ' 65' ' ' LYS . . . -86.58 174.11 9.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.953 -0.567 . . . . 70.099999999999994 111.044 -177.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -56.55 -36.92 69.84 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.205 -0.452 . . . . 65.010000000000005 111.18 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.9 p -54.72 -51.19 66.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.054 -0.521 . . . . 62.399999999999999 111.247 -178.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.8 m -69.47 -46.11 67.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.985 -0.552 . . . . 71.329999999999998 110.32 177.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.21 -40.66 77.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.81 -0.632 . . . . 74.129999999999995 112.302 -176.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -62.36 -33.27 74.41 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 120.724 0.297 . . . . 73.319999999999993 111.289 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 77' ' ' ARG . 58.7 mtt180 -69.3 -38.96 78.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.135 0.493 . . . . 71.219999999999999 110.539 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.601 ' HB2' ' HE1' ' A' ' 64' ' ' MET . 18.3 m120 -67.48 -46.76 72.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.768 -0.651 . . . . 43.420000000000002 110.369 176.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.562 HD22 HD13 ' A' ' 57' ' ' LEU . 96.0 mt -63.9 -34.72 78.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.964 -0.562 . . . . 71.010000000000005 110.571 178.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.664 ' O ' HG12 ' A' ' 84' ' ' ILE . 23.2 t -62.22 -37.35 85.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 63.149999999999999 110.139 176.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.5 m -68.23 -36.87 80.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.182 -0.463 . . . . 64.420000000000002 110.347 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 89.2 mt -65.61 -49.69 76.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.879 -0.6 . . . . 73.019999999999996 110.688 176.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.613 ' HG3' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -60.27 -27.98 67.7 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-O 119.425 -0.322 . . . . 75.319999999999993 111.394 -179.528 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.664 HG12 ' O ' ' A' ' 80' ' ' SER . 37.3 mm -57.1 -54.95 23.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 117.841 0.291 . . . . 72.400000000000006 111.255 174.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.402 ' HB2' ' HD1' ' A' ' 13' ' ' PHE . 2.2 p90 -73.69 -33.19 64.3 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 120.662 -0.415 . . . . 61.020000000000003 110.485 -175.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.526 ' O ' HG13 ' A' ' 90' ' ' ILE . 92.7 t -65.53 -41.71 91.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.17 0.51 . . . . 64.409999999999997 110.033 175.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 m -63.08 -29.14 70.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.503 -0.771 . . . . 54.530000000000001 111.374 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.2 -34.41 77.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.195 0.521 . . . . 74.150000000000006 110.164 174.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.62 -23.43 49.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.56 -0.745 . . . . 63.32 110.669 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 86' ' ' VAL . 51.1 mt -81.78 -30.94 10.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.218 0.532 . . . . 72.209999999999994 110.122 175.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -64.84 -45.88 84.26 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.67 -0.696 . . . . 73.219999999999999 110.661 -177.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -167.72 68.98 0.09 Allowed 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.469 0.652 . . . . 70.530000000000001 109.74 172.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -130.76 -85.2 0.34 Allowed Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.361 -0.836 . . . . 74.219999999999999 111.627 176.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -160.08 -19.26 0.06 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.047 -0.261 . . . . 75.129999999999995 111.335 -177.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.406 ' HB2' ' HA ' ' A' ' 90' ' ' ILE . 97.4 mmm -56.8 135.06 55.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.065 0.46 . . . . 74.340000000000003 111.259 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -86.71 -46.3 10.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.75 -0.659 . . . . 74.109999999999999 110.66 -178.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -135.17 164.95 26.52 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.657 -0.702 . . . . 75.109999999999999 109.433 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.645 ' OD2' ' HB2' ' A' ' 101' ' ' LYS . 5.1 p-10 -96.1 144.48 27.9 Favored Pre-proline 0 C--N 1.318 -0.794 0 N-CA-C 109.923 -0.399 . . . . 71.329999999999998 109.923 177.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -77.08 -18.42 14.46 Favored 'Trans proline' 0 CA--C 1.529 0.275 0 C-N-CA 122.54 2.16 . . . . 63.43 113.199 -176.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -85.59 -13.88 47.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.221 0.534 . . . . 74.319999999999993 111.443 -176.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.645 ' HB2' ' OD2' ' A' ' 98' ' ' ASP . 1.5 tmmt? -72.13 -33.94 68.18 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.599 -0.728 . . . . 65.140000000000001 109.854 174.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -90.84 -4.01 56.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.761 -0.654 . . . . 74.200000000000003 111.371 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -75.02 69.79 1.96 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.329 0.585 . . . . 72.230000000000004 111.511 -172.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 67.93 9.42 56.54 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.655 -0.702 . . . . 21.219999999999999 113.769 175.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 85.1 mt -100.93 4.17 42.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.974 0.387 . . . . 64.200000000000003 110.992 -177.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.94 126.78 41.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.079 -0.51 . . . . 71.209999999999994 109.773 179.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -135.03 51.46 2.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.748 0.785 . . . . 72.0 109.49 178.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.454 ' HE1' ' HA ' ' A' ' 111' ' ' HIS . 54.1 t60 -75.77 97.93 4.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.259 -0.882 . . . . 72.5 110.377 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -107.56 112.76 25.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.395 -0.82 . . . . 60.350000000000001 109.993 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 69.02 120.12 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.971 0.795 . . . . 72.120000000000005 111.029 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.454 ' HA ' ' HE1' ' A' ' 108' ' ' HIS . 72.7 t60 -67.6 127.62 33.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.128 -0.487 . . . . 74.209999999999994 109.82 175.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.671 -0.68 . . . . 64.319999999999993 109.884 179.077 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.42 ' HG3' ' OD1' ' A' ' 2' ' ' ASN . 25.8 ptt? . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.394 0.14 . . . . 74.430000000000007 111.34 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.42 ' OD1' ' HG3' ' A' ' 1' ' ' MET . 5.6 m-20 -121.34 170.65 9.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.906 0.384 . . . . 54.210000000000001 110.774 -176.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.427 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 19.5 t-20 -91.69 142.72 26.99 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 108.607 -0.886 . . . . 73.219999999999999 108.607 171.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 3' ' ' ASN . 12.5 Cg_exo -71.05 71.64 2.16 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.476 2.117 . . . . 75.0 111.8 178.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 t -149.49 106.79 3.61 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.044 0.45 . . . . 73.049999999999997 111.324 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -111.34 2.8 17.82 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.352 -0.981 . . . . 74.409999999999997 108.352 168.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.688 ' HA ' ' CB ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -99.0 116.17 30.62 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.147 -1.388 . . . . 74.120000000000005 113.232 -174.316 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.2 mttp -106.61 -23.92 12.31 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 113.289 -1.778 . . . . 75.340000000000003 108.49 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 m -135.95 174.22 10.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.683 -1.144 . . . . 72.299999999999997 110.387 -178.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.512 ' O ' HG23 ' A' ' 14' ' ' VAL . 41.8 p90 -58.63 -38.8 78.84 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.333 -0.394 . . . . 74.400000000000006 111.673 -178.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.481 ' HD2' ' SD ' ' A' ' 37' ' ' MET . 2.7 t-80 -56.01 -40.7 73.77 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.258 0.552 . . . . 72.040000000000006 110.847 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.688 ' CB ' ' HA ' ' A' ' 7' ' ' PHE . 6.9 m-20 -73.63 -42.09 61.91 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.216 -0.902 . . . . 71.129999999999995 110.266 -171.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.414 ' N ' ' HB3' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -65.56 -41.94 92.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.452 -0.795 . . . . 74.230000000000004 110.416 -179.494 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 10' ' ' PHE . 88.5 t -60.29 -40.04 82.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.241 -0.436 . . . . 72.450000000000003 110.355 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.59 ' O ' ' HG3' ' A' ' 19' ' ' LYS . . . -63.19 -39.22 94.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.7 -0.682 . . . . 34.409999999999997 111.319 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.6 t -57.29 -42.36 81.54 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.87 0.367 . . . . 75.219999999999999 110.561 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -76.78 -44.36 33.12 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.161 -0.472 . . . . 73.409999999999997 110.793 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.467 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 41.1 ttm -64.6 -28.73 69.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.961 -0.563 . . . . 72.140000000000001 111.705 -175.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.59 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 96.6 mttt -48.62 -54.76 13.37 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.985 0.421 . . . . 71.5 110.952 175.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.5 m -76.28 -31.67 58.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.343 0.592 . . . . 73.349999999999994 110.745 -179.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.467 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 22.0 t80 -76.44 -12.73 60.09 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.568 -0.742 . . . . 73.230000000000004 111.718 -173.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.7 p -62.99 -18.35 63.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.541 -0.299 . . . . 65.230000000000004 111.214 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 -60.99 -29.04 69.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.38 . . . . 73.420000000000002 110.817 176.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.0 mtp85 -104.75 9.84 34.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.043 -0.526 . . . . 64.439999999999998 110.81 -177.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 mp -114.77 125.63 53.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.123 -0.489 . . . . 73.120000000000005 110.377 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.28 152.71 28.4 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 109.418 -0.586 . . . . 52.340000000000003 109.418 173.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.0 mm -62.36 -36.04 72.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 116.334 -0.394 . . . . 53.450000000000003 110.221 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.45 -55.29 30.43 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 116.122 -0.49 . . . . 61.310000000000002 113.075 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.5 t -64.02 -41.32 97.47 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 117.217 0.508 . . . . 53.409999999999997 111.0 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.34 -43.33 99.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.247 0.546 . . . . 62.520000000000003 110.749 178.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.586 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 56.1 ttt180 -72.93 -32.84 65.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.695 -0.684 . . . . 70.530000000000001 111.809 -174.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -51.25 -44.2 61.69 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.955 0.407 . . . . 75.120000000000005 111.886 -177.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.515 ' CE1' ' HA ' ' A' ' 78' ' ' ASN . 6.3 t-80 -119.94 19.94 12.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.202 0.525 . . . . 75.420000000000002 110.311 -174.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.586 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 9.1 tmtt? -61.36 -68.91 0.27 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.032 -0.985 . . . . 73.5 111.598 -174.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.1 m -66.92 -35.41 79.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.015 -0.538 . . . . 74.340000000000003 111.031 -176.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 83.9 m -55.15 -53.67 52.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.423 -0.808 . . . . 44.219999999999999 111.816 -177.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.481 ' SD ' ' HD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -54.7 -38.39 66.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.823 -0.626 . . . . 72.450000000000003 111.35 -176.669 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -76.54 -51.62 11.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.063 0.458 . . . . 71.010000000000005 110.821 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.559 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.3 OUTLIER -61.04 -36.58 79.94 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.038 -0.983 . . . . 75.530000000000001 111.01 -176.24 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.455 ' HZ ' ' HG3' ' A' ' 64' ' ' MET . 45.8 t80 -66.93 -18.36 65.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.156 -0.474 . . . . 72.140000000000001 111.851 -174.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.693 ' HE2' ' HD1' ' A' ' 43' ' ' TYR . 84.0 tttt -75.73 82.55 2.7 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.488 0.661 . . . . 73.430000000000007 110.561 -177.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -76.29 -3.25 35.63 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.017 -0.992 . . . . 61.039999999999999 110.864 174.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.693 ' HD1' ' HE2' ' A' ' 41' ' ' LYS . 10.9 t80 66.68 22.25 10.45 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.677 -0.692 . . . . 74.530000000000001 110.956 176.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.2 m -67.12 -31.84 72.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.022 -0.535 . . . . 53.100000000000001 111.01 178.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -144.48 139.8 28.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.801 0.334 . . . . 74.319999999999993 110.604 -177.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.75 56.87 0.71 Allowed Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.305 -0.718 . . . . 64.030000000000001 111.305 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.435 ' HG ' ' CZ ' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -68.98 163.1 25.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.84 0.352 . . . . 60.310000000000002 111.504 -179.204 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -102.62 163.7 12.07 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.965 -0.562 . . . . 32.310000000000002 110.783 -175.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -74.39 -19.35 60.46 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.868 0.692 . . . . 60.119999999999997 112.868 -168.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -77.84 -17.88 56.91 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.232 -0.587 . . . . 70.319999999999993 109.517 176.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -91.6 -8.12 48.22 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.75 -0.659 . . . . 74.310000000000002 109.73 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.426 ' CD1' ' HG3' ' A' ' 99' ' ' PRO . 1.6 tm? -74.32 90.93 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.264 -0.88 . . . . 72.310000000000002 109.332 -179.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.466 ' O ' HD23 ' A' ' 57' ' ' LEU . 21.6 p -126.7 175.0 8.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.94 -0.573 . . . . 71.120000000000005 111.496 -174.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.561 ' H ' ' CD ' ' A' ' 54' ' ' GLU . 4.1 mp0 -53.47 -43.82 68.45 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 115.978 -0.555 . . . . 72.219999999999999 110.227 178.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -57.13 -49.0 77.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.213 -0.903 . . . . 75.219999999999999 111.077 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.435 ' CZ ' ' HG ' ' A' ' 47' ' ' LEU . 64.2 t80 -62.0 -47.11 86.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 64.439999999999998 110.309 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 53' ' ' THR . 4.0 mm? -57.65 -44.63 85.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.47 -0.332 . . . . 73.400000000000006 111.468 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -63.24 -47.15 83.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.425 . . . . 74.299999999999997 111.002 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -73.07 -40.08 65.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.857 0.36 . . . . 71.299999999999997 111.087 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -67.34 -32.48 73.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.211 -0.45 . . . . 72.319999999999993 110.543 -177.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.8 tp -55.19 -51.36 66.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.24 0.543 . . . . 64.329999999999998 110.034 174.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 47.9 mm -67.02 -48.1 80.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.446 -0.797 . . . . 60.399999999999999 110.472 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -55.61 -44.57 77.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.769 -0.651 . . . . 75.329999999999998 111.14 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.491 ' HA ' HD12 ' A' ' 68' ' ' LEU . 15.4 ttp -65.68 -48.42 72.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.859 -0.61 . . . . 75.230000000000004 111.683 -178.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.629 ' HA ' ' HB2' ' A' ' 70' ' ' ASN . 15.7 pttt -75.53 -29.61 59.5 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.688 -0.405 . . . . 73.420000000000002 111.793 -176.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -93.82 -64.34 1.09 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.839 0.352 . . . . 73.329999999999998 111.693 -176.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.3 m -72.35 -32.78 66.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.32 -0.4 . . . . 43.340000000000003 111.517 -172.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 64' ' ' MET . 86.9 mt -96.23 -1.1 48.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.37 -0.377 . . . . 64.519999999999996 110.843 -179.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.1 t 62.4 84.09 0.15 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.658 -0.701 . . . . 52.43 111.847 177.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.629 ' HB2' ' HA ' ' A' ' 65' ' ' LYS . 49.6 m-80 -146.35 178.82 7.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 74.040000000000006 109.836 178.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -114.7 173.4 6.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.32 -0.4 . . . . 64.219999999999999 109.981 177.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -58.92 -48.81 80.14 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.375 0.422 . . . . 64.409999999999997 110.899 -177.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.491 ' O ' ' HG3' ' A' ' 77' ' ' ARG . 40.5 t -58.02 -49.75 75.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.058 -0.519 . . . . 75.430000000000007 110.587 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.5 m -56.41 -46.87 79.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.024 0.44 . . . . 74.239999999999995 110.729 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.65 -46.79 86.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.659 -0.7 . . . . 71.420000000000002 111.644 -177.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -63.15 -40.31 97.2 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 120.912 0.387 . . . . 71.109999999999999 111.368 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' ' 73' ' ' SER . 66.8 mtt-85 -66.75 -35.08 79.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.127 0.489 . . . . 74.099999999999994 110.896 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.515 ' HA ' ' CE1' ' A' ' 33' ' ' HIS . 96.8 m-20 -63.48 -51.18 66.67 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.828 -0.624 . . . . 72.230000000000004 111.034 174.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.39 -34.88 76.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.857 -0.611 . . . . 73.510000000000005 112.363 -175.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.544 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 11.8 p -66.26 -18.66 65.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.754 0.311 . . . . 74.519999999999996 111.721 -177.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.3 m -75.42 -33.88 60.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.102 0.477 . . . . 71.140000000000001 110.359 174.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 55.7 mt -69.65 -41.92 80.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.619 . . . . 64.239999999999995 110.746 -178.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -59.33 -28.91 67.24 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.264 -0.425 . . . . 75.25 111.629 -177.895 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 63.3 mt -60.09 -48.45 87.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.772 -0.371 . . . . 64.109999999999999 110.095 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -73.31 -39.83 64.98 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 120.468 -0.493 . . . . 74.099999999999994 110.686 177.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.493 HG13 ' SD ' ' A' ' 95' ' ' MET . 53.4 t -56.79 -45.09 82.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.411 0.624 . . . . 44.009999999999998 110.322 177.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.435 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 1.3 m -62.34 -36.17 81.38 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.066 -0.97 . . . . 45.340000000000003 111.319 176.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.38 -30.72 60.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.391 . . . . 54.219999999999999 111.136 176.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.63 -22.91 66.11 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.996 -0.547 . . . . 70.310000000000002 111.119 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.619 ' HA ' ' O ' ' A' ' 95' ' ' MET . 78.0 mt -75.54 -30.46 22.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.286 0.565 . . . . 73.409999999999997 110.146 175.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -78.29 -45.21 23.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.816 -0.629 . . . . 65.109999999999999 111.004 -177.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -153.41 66.58 0.76 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.47 0.653 . . . . 75.340000000000003 110.709 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -145.19 -90.62 0.11 Allowed Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.362 -0.923 . . . . 20.539999999999999 112.311 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -163.85 -29.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.778 0.323 . . . . 74.510000000000005 110.844 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.619 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 89.1 mtp -78.62 153.71 30.85 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 116.379 -0.373 . . . . 63.539999999999999 110.272 -178.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -122.36 -41.96 2.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.212 0.53 . . . . 74.340000000000003 110.271 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -118.0 123.09 44.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.857 -0.61 . . . . 71.549999999999997 109.852 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 101' ' ' LYS . 5.2 p-10 -78.82 149.14 73.68 Favored Pre-proline 0 N--CA 1.448 -0.534 0 CA-C-N 116.297 -0.41 . . . . 72.340000000000003 110.185 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.426 ' HG3' ' CD1' ' A' ' 52' ' ' LEU . 31.5 Cg_endo -62.94 -21.21 73.03 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 123.06 2.507 . . . . 63.140000000000001 112.718 -178.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.462 ' HA ' ' HB3' ' A' ' 103' ' ' PHE . 81.1 m-85 -83.3 -0.38 49.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.128 -0.487 . . . . 72.409999999999997 111.424 -177.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -57.47 -51.22 70.33 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.949 -0.569 . . . . 52.329999999999998 110.272 175.545 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -98.51 -24.56 15.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.773 -0.649 . . . . 72.120000000000005 110.822 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.462 ' HB3' ' HA ' ' A' ' 100' ' ' PHE . 56.6 t80 -77.09 77.55 3.63 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.697 -0.683 . . . . 73.329999999999998 110.353 -177.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 160.42 -121.81 1.07 Allowed Glycine 0 N--CA 1.44 -1.09 0 N-CA-C 110.989 -0.844 . . . . 63.210000000000001 110.989 176.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 93.9 mt 54.97 81.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 123.12 0.568 . . . . 54.039999999999999 110.988 -178.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.81 38.3 1.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.016 -0.538 . . . . 53.350000000000001 111.13 -179.355 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -147.2 161.01 41.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.825 -0.625 . . . . 72.319999999999993 110.573 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 69.19 98.09 0.06 Allowed 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.998 0.811 . . . . 63.229999999999997 112.236 175.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -143.0 52.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.477 0.656 . . . . 70.349999999999994 110.87 171.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -120.31 68.92 0.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.655 -0.702 . . . . 72.530000000000001 109.612 173.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -94.5 98.99 11.24 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.422 -0.584 . . . . 72.450000000000003 109.422 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 . . . . . 0 C--N 1.317 -0.845 0 CA-C-O 118.411 -0.804 . . . . 73.120000000000005 109.621 -179.193 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.1 ttp . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 120.598 0.237 . . . . 64.409999999999997 111.112 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -64.77 -60.0 3.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 61.219999999999999 111.605 -174.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -134.45 87.2 33.05 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 121.085 0.469 . . . . 43.049999999999997 111.809 -178.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -77.13 -164.13 0.25 Allowed 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 122.999 2.466 . . . . 72.340000000000003 110.975 174.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 m -74.57 90.76 2.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.371 0.605 . . . . 40.229999999999997 109.999 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -103.28 14.53 31.37 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.866 0.841 . . . . 72.409999999999997 109.819 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.471 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 63.7 m-85 -69.66 145.82 52.11 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.579 -1.191 . . . . 75.230000000000004 110.576 -178.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.477 ' HB2' ' HZ2' ' A' ' 8' ' ' LYS . 10.5 mtmp? -55.57 -47.8 75.83 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.234 -0.894 . . . . 75.239999999999995 111.848 -177.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.7 p -161.36 -169.18 2.22 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.065 -0.346 . . . . 71.310000000000002 110.065 -174.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.647 ' O ' HG23 ' A' ' 14' ' ' VAL . 24.8 p90 -57.72 -38.64 75.64 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 116.254 -0.43 . . . . 74.450000000000003 109.983 174.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -62.55 -38.45 90.08 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.087 0.47 . . . . 61.539999999999999 110.632 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.471 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 17.0 t0 -77.08 -33.79 57.05 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.601 -0.727 . . . . 53.409999999999997 109.793 -178.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -67.86 -38.53 83.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.452 -0.795 . . . . 75.510000000000005 110.014 175.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.768 HG22 ' HB2' ' A' ' 85' ' ' TYR . 53.1 t -54.75 -43.55 67.19 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 CA-C-N 116.091 -0.504 . . . . 73.239999999999995 110.388 176.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.2 -33.89 71.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 31.32 111.185 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.7 t -68.29 -46.21 70.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.239 -0.437 . . . . 72.129999999999995 110.919 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -78.09 -33.04 50.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.341 . . . . 75.140000000000001 110.764 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.706 ' HG3' ' CE2' ' A' ' 21' ' ' TYR . 31.6 ttm -58.51 -31.36 67.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 63.240000000000002 110.366 179.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -49.94 -35.76 25.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.391 -0.822 . . . . 55.240000000000002 110.914 176.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 47.4 m -66.67 -57.74 6.56 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.223 0.453 . . . . 54.009999999999998 112.223 -176.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.706 ' CE2' ' HG3' ' A' ' 18' ' ' MET . 7.7 p90 -77.08 -22.49 52.73 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.667 -0.413 . . . . 64.310000000000002 111.367 -174.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.409 ' HA ' ' HB2' ' A' ' 25' ' ' LEU . 50.4 m -68.16 -10.41 54.0 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.913 0.387 . . . . 72.430000000000007 110.699 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -54.71 -35.1 63.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.71 -0.677 . . . . 72.310000000000002 111.062 176.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -114.07 18.25 17.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.221 0.534 . . . . 61.539999999999999 110.989 -177.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 22' ' ' SER . 13.3 tp -97.06 131.48 43.81 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.335 -0.617 . . . . 71.109999999999999 109.335 179.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.532 ' HG3' ' H ' ' A' ' 29' ' ' THR . 12.7 pt-20 -59.92 148.12 36.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.329 -0.396 . . . . 75.230000000000004 110.231 177.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.6 mm -62.42 -32.47 55.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.714 -0.675 . . . . 64.340000000000003 110.532 -176.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 32' ' ' HIS . . . -57.0 -58.06 16.54 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.746 -0.661 . . . . 75.109999999999999 112.824 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.532 ' H ' ' HG3' ' A' ' 26' ' ' GLU . 7.1 t -75.52 -34.93 60.83 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.946 0.373 . . . . 52.329999999999998 111.109 -176.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -53.98 -48.84 69.93 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 120.941 0.401 . . . . 52.210000000000001 110.898 174.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 31' ' ' ARG . 23.9 ttt180 -75.15 -30.13 60.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.093 -0.503 . . . . 75.140000000000001 110.636 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 79.8 t60 -67.4 -12.45 60.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.594 -0.73 . . . . 74.340000000000003 111.703 -175.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -113.86 5.13 16.14 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.349 -0.54 . . . . 74.409999999999997 111.437 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -68.22 -55.13 13.33 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.579 0.228 . . . . 72.230000000000004 111.577 -178.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.9 m -64.8 -28.62 69.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.031 0.443 . . . . 51.119999999999997 110.919 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.9 m -67.07 -48.07 69.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.814 -0.63 . . . . 65.530000000000001 111.046 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.62 ' HG2' HG21 ' A' ' 81' ' ' THR . 91.8 mtp -62.76 -26.81 68.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.101 -0.5 . . . . 63.219999999999999 111.741 178.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.487 ' HA ' ' HD2' ' A' ' 38' ' ' ARG . 2.7 tpt180 -73.51 -44.08 58.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.149 0.425 . . . . 73.140000000000001 112.149 -172.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -6.89 2.55 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.857 1.058 . . . . 62.409999999999997 113.857 -171.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.416 ' CZ ' ' HZ ' ' A' ' 10' ' ' PHE . 78.4 t80 -61.35 -32.32 72.22 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.339 -0.615 . . . . 72.450000000000003 109.339 174.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt 60.35 87.87 0.08 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 114.868 -1.06 . . . . 74.150000000000006 112.039 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -121.66 145.96 47.48 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 109.564 -0.532 . . . . 74.319999999999993 109.564 170.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -157.91 -37.43 0.07 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.021 -0.536 . . . . 65.450000000000003 110.997 -172.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 76.4 m -128.45 130.02 46.96 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.216 -0.661 . . . . 75.510000000000005 109.216 175.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 59.42 -155.86 0.35 Allowed 'General case' 0 CA--C 1.531 0.218 0 O-C-N 123.685 0.616 . . . . 65.129999999999995 110.663 -177.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -170.18 -124.36 0.74 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.75 -0.738 . . . . 72.450000000000003 112.116 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.7 tp -135.27 140.5 45.24 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.362 -0.607 . . . . 75.439999999999998 109.362 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.512 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 2.1 mp0 -85.59 174.35 9.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.843 0.354 . . . . 52.43 110.521 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -71.05 -52.77 17.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.924 -0.58 . . . . 71.510000000000005 111.61 -174.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -78.31 8.25 5.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.486 -0.325 . . . . 75.219999999999999 111.682 -175.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.512 ' HG2' ' HB2' ' A' ' 48' ' ' GLN . 6.9 mm-40 -93.1 -11.59 32.56 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.343 -0.614 . . . . 74.129999999999995 109.343 176.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.524 ' HG ' HG21 ' A' ' 86' ' ' VAL . 1.5 tm? -97.53 100.9 12.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.449 -0.796 . . . . 72.319999999999993 109.848 -177.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.5 p -127.29 178.08 6.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.105 -0.498 . . . . 74.439999999999998 110.765 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.714 ' HG2' ' HB2' ' A' ' 102' ' ' ASP . 2.1 mp0 -59.87 -35.7 75.36 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.983 0.421 . . . . 55.109999999999999 110.427 177.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.05 -41.95 97.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.722 -0.672 . . . . 72.25 110.316 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -61.52 -48.62 80.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.066 -0.516 . . . . 65.209999999999994 110.463 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.44 -45.27 92.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 71.450000000000003 111.234 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -67.92 -44.88 75.87 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.1 -0.5 . . . . 60.149999999999999 111.182 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -62.53 -43.42 98.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.311 -0.404 . . . . 42.130000000000003 110.722 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -67.69 -33.06 74.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 74.329999999999998 110.136 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.53 HD22 ' HZ ' ' A' ' 103' ' ' PHE . 53.4 tp -58.9 -48.0 82.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 73.310000000000002 110.066 174.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 74.2 mt -59.56 -44.11 92.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.578 -0.737 . . . . 72.230000000000004 110.474 175.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -55.75 -43.53 76.74 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.154 0.502 . . . . 74.510000000000005 110.708 175.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.532 ' HG3' ' HB2' ' A' ' 70' ' ' ASN . 4.0 tpp -66.39 -45.66 79.27 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.736 -0.666 . . . . 74.409999999999997 110.858 -179.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 13.2 tmtt? -71.66 -48.24 48.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.053 -0.522 . . . . 64.140000000000001 110.908 -177.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.4 ' C ' ' HD3' ' A' ' 66' ' ' LYS . 10.9 tmtt? -82.97 -61.84 1.76 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.416 -0.357 . . . . 72.420000000000002 111.083 -172.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.7 m -72.02 -42.71 66.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.466 -0.334 . . . . 71.25 111.807 -172.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.528 ' HB2' ' O ' ' A' ' 64' ' ' MET . 90.3 mt -86.04 -19.05 30.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.689 -0.232 . . . . 65.409999999999997 111.195 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 10.0 t 64.73 34.9 9.19 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 123.677 0.611 . . . . 64.239999999999995 110.39 -179.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.532 ' HB2' ' HG3' ' A' ' 64' ' ' MET . 13.2 m120 -97.26 149.9 21.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.125 -0.488 . . . . 63.329999999999998 110.725 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.86 172.47 13.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.13 -0.486 . . . . 75.420000000000002 111.118 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -55.98 -47.97 76.71 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.924 -0.58 . . . . 61.130000000000003 111.378 -177.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.1 m -57.22 -46.98 82.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.759 -0.655 . . . . 65.109999999999999 110.963 -177.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.5 m -64.51 -42.21 95.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.989 -0.55 . . . . 74.540000000000006 110.857 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.454 ' HB2' ' HG2' ' A' ' 64' ' ' MET . . . -62.35 -47.84 82.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.896 -0.593 . . . . 71.129999999999995 111.717 -177.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -62.77 -47.47 83.38 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.347 -0.388 . . . . 71.209999999999994 111.734 -175.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -68.11 -24.8 65.06 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.918 -0.313 . . . . 52.109999999999999 111.402 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -73.74 -40.62 63.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.936 0.398 . . . . 64.409999999999997 110.276 173.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.4 mt -68.15 -28.86 67.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.033 -0.53 . . . . 55.140000000000001 110.88 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.742 ' HA ' ' HB2' ' A' ' 83' ' ' LYS . 75.5 m -54.53 -24.99 23.11 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.563 0.579 . . . . 55.539999999999999 112.563 177.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.62 HG21 ' HG2' ' A' ' 37' ' ' MET . 72.7 p -60.49 -53.33 58.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.048 0.451 . . . . 55.530000000000001 110.562 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 83.7 mt -70.41 -32.91 51.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.794 -0.639 . . . . 71.430000000000007 110.265 176.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.742 ' HB2' ' HA ' ' A' ' 80' ' ' SER . 25.8 mmtp -53.63 -51.63 62.47 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 116.372 -0.376 . . . . 72.239999999999995 111.348 176.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 80' ' ' SER . 72.7 mt -62.96 -34.51 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.883 0.373 . . . . 74.140000000000001 110.998 -178.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.768 ' HB2' HG22 ' A' ' 14' ' ' VAL . 83.4 t80 -70.2 -53.85 15.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.01 -0.541 . . . . 64.530000000000001 110.405 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.648 ' O ' HG13 ' A' ' 90' ' ' ILE . 78.5 t -64.1 -45.52 96.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.777 -0.647 . . . . 73.209999999999994 110.558 -178.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.574 ' HA ' HD12 ' A' ' 90' ' ' ILE . 4.4 m -57.62 -36.86 72.35 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.409 -0.359 . . . . 72.439999999999998 111.756 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.32 -32.82 69.04 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.204 0.526 . . . . 43.130000000000003 110.586 177.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.84 -23.07 55.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.795 -0.639 . . . . 45.049999999999997 111.103 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.648 HG13 ' O ' ' A' ' 86' ' ' VAL . 88.4 mt -74.83 -31.68 26.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.01 -0.541 . . . . 63.509999999999998 110.838 179.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.46 ' HD3' ' HA ' ' A' ' 91' ' ' LYS . 69.4 mmtt -75.46 -45.3 39.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.366 -0.379 . . . . 64.310000000000002 111.042 -175.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -163.63 71.8 0.26 Allowed 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 121.404 0.621 . . . . 74.540000000000006 110.184 173.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -139.36 -65.25 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.489 -0.778 . . . . 64.420000000000002 111.612 176.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -166.58 -36.78 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.007 0.432 . . . . 74.129999999999995 110.171 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 97.3 mmm -68.86 149.8 48.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.894 -0.594 . . . . 64.129999999999995 110.367 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -129.19 -47.59 1.21 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.386 0.612 . . . . 75.439999999999998 109.911 -177.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -98.06 120.8 39.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.682 -0.69 . . . . 60.350000000000001 109.343 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.59 ' HB3' HD13 ' A' ' 90' ' ' ILE . 4.1 p-10 -77.43 150.22 79.5 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 116.335 -0.393 . . . . 74.420000000000002 110.31 -177.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -85.34 -3.49 9.4 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.807 2.338 . . . . 65.439999999999998 113.186 -178.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.423 ' HB3' ' HE2' ' A' ' 83' ' ' LYS . 38.9 p90 -94.98 -27.91 15.41 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.385 -0.526 . . . . 75.219999999999999 112.27 -174.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.515 ' O ' ' HB3' ' A' ' 105' ' ' LEU . 18.7 mmtt -53.35 -48.92 68.12 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.02 0.438 . . . . 65.230000000000004 110.951 175.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.714 ' HB2' ' HG2' ' A' ' 54' ' ' GLU . 1.3 m-20 -88.92 -3.32 58.77 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.123 -0.49 . . . . 64.430000000000007 111.527 -174.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.53 ' HZ ' HD22 ' A' ' 61' ' ' LEU . 83.5 t80 -70.05 -39.53 75.65 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.475 -0.33 . . . . 75.329999999999998 110.657 -178.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -151.13 17.32 0.91 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.196 -1.002 . . . . 55.509999999999998 113.246 -178.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.515 ' HB3' ' O ' ' A' ' 101' ' ' LYS . 3.2 tm? -127.43 111.22 13.59 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.522 -0.548 . . . . 41.409999999999997 109.522 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -68.44 138.29 55.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.546 -0.752 . . . . 53.32 112.314 -175.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -97.67 127.56 43.71 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.403 -0.962 . . . . 74.540000000000006 108.403 168.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -73.55 -33.97 64.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.731 0.3 . . . . 75.409999999999997 111.362 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -142.07 103.48 4.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.365 -0.38 . . . . 60.109999999999999 110.38 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -84.94 97.88 10.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.718 0.77 . . . . 53.420000000000002 110.289 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -176.86 131.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.073 -0.967 . . . . 72.530000000000001 109.024 -175.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 11.2 p80 . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.481 -0.771 . . . . 64.310000000000002 110.418 -176.841 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 120.928 0.395 . . . . 70.299999999999997 110.018 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -93.04 143.11 26.56 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.004 -0.739 . . . . 71.0 109.004 175.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -134.64 86.87 32.95 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 120.857 0.361 . . . . 62.219999999999999 110.854 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -82.22 81.47 2.51 Favored 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 122.578 2.185 . . . . 71.420000000000002 111.497 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.413 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 35.8 m -74.45 69.76 1.69 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.095 -0.502 . . . . 65.25 111.561 -176.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -139.13 15.22 2.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.698 -0.683 . . . . 74.099999999999994 110.69 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -65.05 141.05 58.88 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.787 -0.642 . . . . 71.219999999999999 111.136 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -76.85 -27.82 55.24 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.266 -0.879 . . . . 35.119999999999997 111.781 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.8 m -100.6 140.28 35.09 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.954 0.407 . . . . 74.439999999999998 111.374 -174.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.43 ' O ' HG23 ' A' ' 14' ' ' VAL . 32.8 p90 -58.78 -43.17 90.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.46 -0.791 . . . . 64.439999999999998 111.468 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -65.0 -26.32 68.24 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.931 0.396 . . . . 74.319999999999993 110.541 -178.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.08 -44.51 21.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.836 -0.62 . . . . 73.349999999999994 110.43 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.413 ' CE1' ' HB3' ' A' ' 5' ' ' SER . 49.4 t80 -63.22 -47.11 83.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.774 -0.648 . . . . 63.340000000000003 110.502 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.433 ' CG2' ' HB3' ' A' ' 85' ' ' TYR . 95.6 t -63.0 -44.59 99.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.827 -0.624 . . . . 71.340000000000003 111.008 -178.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' A' ' 19' ' ' LYS . . . -59.92 -45.02 93.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.628 -0.26 . . . . 64.519999999999996 111.497 -177.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -68.13 -44.88 75.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.269 -0.423 . . . . 74.430000000000007 110.88 -177.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -69.44 -39.38 77.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.817 0.341 . . . . 73.239999999999995 111.254 -177.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.616 ' HG2' ' HE1' ' A' ' 30' ' ' PHE . 34.4 ttm -64.85 -28.97 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.376 -0.375 . . . . 50.439999999999998 111.391 -176.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 93.8 mttt -54.43 -35.78 63.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.05 0.452 . . . . 71.450000000000003 111.048 175.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.4 m -95.43 -30.64 13.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.069 -0.514 . . . . 72.019999999999996 110.766 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.614 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 88.5 t80 -62.64 -30.12 71.13 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.289 -0.414 . . . . 75.209999999999994 111.356 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 p -68.08 -10.71 56.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.432 -0.349 . . . . 75.230000000000004 111.75 -178.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -69.61 -19.14 63.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.161 0.505 . . . . 75.25 110.569 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -120.47 30.52 6.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.948 -0.569 . . . . 70.140000000000001 110.708 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.544 ' HG ' HG23 ' A' ' 29' ' ' THR . 15.2 tp -141.85 142.56 33.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.947 -0.57 . . . . 73.310000000000002 109.886 178.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.548 ' HB2' HG22 ' A' ' 29' ' ' THR . 23.2 mt-10 -64.75 147.24 53.51 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.415 -0.357 . . . . 63.439999999999998 110.286 173.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.2 mt -65.43 -34.84 73.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.382 -0.372 . . . . 54.210000000000001 110.286 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.12 -55.96 27.93 Favored Glycine 0 CA--C 1.518 0.23 0 C-N-CA 121.07 -0.586 . . . . 31.41 112.547 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.548 HG22 ' HB2' ' A' ' 26' ' ' GLU . 8.6 t -66.31 -43.49 86.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.48 0.181 . . . . 64.129999999999995 110.843 178.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.616 ' HE1' ' HG2' ' A' ' 18' ' ' MET . 66.2 t80 -52.51 -53.39 46.62 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.539 -0.301 . . . . 61.299999999999997 111.222 175.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -61.37 -34.84 75.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 75.239999999999995 111.664 -177.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -64.87 -32.54 74.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.397 -0.365 . . . . 73.450000000000003 110.981 -176.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -123.12 37.0 4.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.348 0.594 . . . . 71.439999999999998 110.134 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -86.08 -53.97 4.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.451 -0.795 . . . . 75.109999999999999 111.681 -176.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 m -68.24 -72.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 63.43 111.376 -171.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 83.3 m 43.11 -87.08 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.762 1.023 . . . . 64.430000000000007 113.762 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 64.6 mtt -64.14 -29.21 70.35 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.271 -0.422 . . . . 75.239999999999995 110.893 -176.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -63.94 -25.92 68.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.818 -0.628 . . . . 73.400000000000006 111.573 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.561 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 3.8 tmmm? -86.54 -31.78 21.06 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 121.37 0.605 . . . . 60.530000000000001 109.517 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -72.22 -8.38 54.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.502 -0.772 . . . . 74.239999999999995 110.661 -177.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 73.3 tttt 75.16 101.37 0.07 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.244 -0.889 . . . . 73.219999999999999 109.987 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -71.93 -176.92 1.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.332 -0.849 . . . . 73.5 111.99 -174.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 62.97 88.06 0.1 Allowed 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.03 -0.986 . . . . 74.010000000000005 110.39 -175.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.0 t -156.36 -164.39 1.66 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.571 -1.195 . . . . 72.219999999999999 108.215 -173.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -55.03 120.7 7.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.06 0.457 . . . . 74.439999999999998 110.895 178.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -78.31 77.41 1.71 Allowed Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.604 -0.725 . . . . 64.400000000000006 111.555 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 28.2 tp -59.86 125.61 24.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.815 0.341 . . . . 75.450000000000003 110.107 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -74.36 169.43 17.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.901 -0.591 . . . . 74.239999999999995 111.412 -175.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.575 ' HB2' ' HE2' ' A' ' 94' ' ' TYR . 47.0 m-85 -65.88 -49.04 69.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.521 -0.763 . . . . 75.150000000000006 110.845 -176.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.613 ' HA ' ' SD ' ' A' ' 95' ' ' MET . 26.4 t-80 -73.47 -11.32 60.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.869 -0.605 . . . . 71.510000000000005 111.066 -174.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -81.63 -11.78 58.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.894 0.378 . . . . 75.329999999999998 110.744 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.484 ' HG ' HG21 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -79.16 98.01 6.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.968 -0.56 . . . . 70.140000000000001 109.633 179.446 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.2 p -113.24 -178.84 3.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.887 -0.597 . . . . 53.340000000000003 111.867 -173.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -67.84 -38.1 82.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.741 -0.663 . . . . 74.129999999999995 109.763 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -57.23 -41.17 79.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.675 -0.693 . . . . 53.210000000000001 110.498 177.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -59.75 -51.66 68.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 75.319999999999993 110.025 177.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.28 -51.43 69.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.291 -0.413 . . . . 74.150000000000006 111.404 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.41 ' HD3' ' C ' ' A' ' 58' ' ' ARG . 3.2 tmt_? -59.19 -50.38 74.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 74.230000000000004 111.142 -176.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -68.57 -40.98 80.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.913 0.387 . . . . 61.219999999999999 111.06 -176.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -70.58 -34.15 71.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.133 -0.485 . . . . 74.530000000000001 110.401 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 58.5 tp -63.18 -50.39 70.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.915 -0.584 . . . . 70.430000000000007 110.444 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 58' ' ' ARG . 46.0 mm -57.76 -46.18 86.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.129 -0.487 . . . . 52.43 110.541 178.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -58.51 -42.03 86.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.765 -0.652 . . . . 74.340000000000003 110.643 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.61 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 13.5 ttm -70.08 -41.66 73.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.616 -0.72 . . . . 65.549999999999997 110.938 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.593 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 7.5 tmtt? -63.39 -45.53 90.65 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.269 -0.878 . . . . 73.420000000000002 110.93 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -80.78 -64.24 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.083 0.468 . . . . 73.340000000000003 111.893 -177.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 31.7 m -74.45 -43.82 54.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.038 -0.528 . . . . 43.520000000000003 111.894 -171.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.422 HD12 ' HG3' ' A' ' 64' ' ' MET . 87.1 mt -87.15 -11.1 51.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.503 -0.317 . . . . 75.310000000000002 110.726 -177.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 65.6 m 66.53 26.81 9.83 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.925 -0.58 . . . . 65.219999999999999 112.556 173.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.61 ' HB2' ' HG2' ' A' ' 64' ' ' MET . 32.9 m-80 -97.73 152.14 19.43 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 121.049 -0.26 . . . . 73.400000000000006 110.601 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.2 -177.7 4.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.405 -0.361 . . . . 63.030000000000001 110.29 178.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -55.63 -57.69 10.92 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.685 0.278 . . . . 65.340000000000003 111.6 -177.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.421 ' O ' ' HG2' ' A' ' 77' ' ' ARG . 61.5 m -63.65 -35.98 82.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.449 -0.341 . . . . 53.039999999999999 111.295 -177.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.36 -39.78 77.86 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.128 0.49 . . . . 64.430000000000007 110.252 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.51 -42.96 91.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.801 -0.636 . . . . 74.019999999999996 110.621 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -58.56 -35.36 72.24 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.124 -0.489 . . . . 75.450000000000003 111.099 178.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 73' ' ' SER . 28.4 mmt180 -63.28 -43.32 98.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.009 0.433 . . . . 62.329999999999998 110.868 177.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -73.15 -41.42 63.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.71 -0.677 . . . . 75.040000000000006 110.783 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 71.1 mt -65.59 -21.34 66.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.507 -0.77 . . . . 71.450000000000003 112.104 -177.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.614 ' O ' HG12 ' A' ' 84' ' ' ILE . 73.3 m -50.4 -32.32 17.3 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.124 0.416 . . . . 62.409999999999997 112.124 176.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.5 p -63.63 -47.53 80.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.183 0.516 . . . . 73.530000000000001 110.917 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.639 HG23 ' HE2' ' A' ' 85' ' ' TYR . 72.8 mt -69.72 -36.59 70.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.75 -0.659 . . . . 70.140000000000001 109.97 177.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.415 ' HB3' ' HA ' ' A' ' 80' ' ' SER . 77.2 tttt -54.07 -43.17 70.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.555 -0.748 . . . . 74.299999999999997 111.422 176.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.614 HG12 ' O ' ' A' ' 80' ' ' SER . 41.7 mm -54.73 -51.25 53.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 112.332 0.493 . . . . 73.140000000000001 112.332 -176.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.639 ' HE2' HG23 ' A' ' 82' ' ' ILE . 1.7 p90 -72.82 -28.99 62.88 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 120.045 -0.662 . . . . 65.420000000000002 110.629 -173.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.501 ' O ' HG13 ' A' ' 90' ' ' ILE . 86.9 t -75.83 -47.98 30.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.222 0.534 . . . . 60.109999999999999 110.188 176.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 m -62.04 -35.42 78.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.239 -0.892 . . . . 73.25 112.142 -176.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.09 83.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.145 0.498 . . . . 54.200000000000003 110.609 176.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.431 ' HB1' ' HB3' ' A' ' 94' ' ' TYR . . . -75.65 -28.36 58.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.723 -0.671 . . . . 63.409999999999997 110.835 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 86' ' ' VAL . 80.1 mt -66.72 -44.27 89.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.084 0.468 . . . . 62.030000000000001 110.257 177.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -65.09 -42.75 93.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.718 -0.673 . . . . 75.439999999999998 111.164 -178.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.457 ' HD2' ' HA ' ' A' ' 92' ' ' LYS . 38.0 tptt -69.29 -34.81 75.28 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.868 -0.333 . . . . 72.530000000000001 110.881 -178.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 116.71 17.22 6.06 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.448 -0.882 . . . . 70.120000000000005 113.144 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.575 ' HE2' ' HB2' ' A' ' 49' ' ' PHE . 87.7 t80 -87.23 -46.57 9.6 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.451 -0.574 . . . . 64.049999999999997 109.451 175.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.613 ' SD ' ' HA ' ' A' ' 50' ' ' HIS . 90.8 mmm -93.21 105.58 17.64 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.911 -0.586 . . . . 64.439999999999998 109.428 174.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -82.06 -33.58 29.82 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.552 -0.749 . . . . 75.5 111.271 -174.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -119.73 134.65 55.15 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.066 -0.515 . . . . 61.100000000000001 110.459 177.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -80.57 150.61 70.37 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.556 -0.747 . . . . 73.040000000000006 111.071 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -79.97 -4.06 13.1 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.957 2.438 . . . . 63.240000000000002 113.217 -178.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.714 ' HB2' ' HD2' ' A' ' 103' ' ' PHE . 29.6 p90 -109.25 19.08 19.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.439 1.114 . . . . 73.329999999999998 110.745 -178.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.598 ' HA ' HD23 ' A' ' 105' ' ' LEU . 12.4 mmtt -52.25 -25.56 9.66 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 112.926 -1.943 . . . . 74.349999999999994 113.06 179.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -74.08 -16.58 61.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.903 0.382 . . . . 62.509999999999998 111.273 -176.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.714 ' HD2' ' HB2' ' A' ' 100' ' ' PHE . 52.2 m-85 -74.82 -21.57 59.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.229 -0.441 . . . . 71.439999999999998 110.152 176.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 96.46 106.6 2.31 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.662 -0.78 . . . . 75.340000000000003 112.134 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.598 HD23 ' HA ' ' A' ' 101' ' ' LYS . 4.2 mm? -108.35 159.88 16.31 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 120.845 0.355 . . . . 63.409999999999997 110.21 -178.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -63.75 127.34 30.93 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.287 -0.87 . . . . 64.299999999999997 110.609 -177.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -83.06 73.21 10.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.325 0.583 . . . . 63.340000000000003 110.493 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.447 ' O ' ' HB2' ' A' ' 109' ' ' HIS . 6.6 t60 -87.29 72.62 9.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.36 -0.837 . . . . 71.420000000000002 109.362 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.447 ' HB2' ' O ' ' A' ' 108' ' ' HIS . 7.0 m170 69.93 153.45 0.11 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 124.082 0.864 . . . . 73.140000000000001 111.222 -172.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -96.01 -12.57 24.76 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.855 -0.795 . . . . 63.020000000000003 108.855 175.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -153.98 142.88 21.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.648 -1.16 . . . . 63.340000000000003 108.515 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 16.7 p80 . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.147 -0.93 . . . . 73.120000000000005 110.13 177.392 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.747 0.308 . . . . 73.319999999999993 110.804 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.456 ' O ' ' HB2' ' A' ' 3' ' ' ASN . 61.8 m-80 -136.42 -46.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.547 -0.297 . . . . 74.549999999999997 110.437 173.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' A' ' 2' ' ' ASN . 1.0 OUTLIER 70.73 149.5 0.12 Allowed Pre-proline 0 N--CA 1.467 0.403 0 O-C-N 123.907 0.754 . . . . 74.030000000000001 110.486 -173.31 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.89 96.99 0.27 Allowed 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.684 2.256 . . . . 71.129999999999995 112.189 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.9 m -152.23 106.78 3.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.953 -0.567 . . . . 52.32 110.577 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -97.17 6.84 47.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.907 0.861 . . . . 50.420000000000002 110.457 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.691 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 52.6 m-85 -126.26 174.35 8.61 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.723 -1.126 . . . . 75.209999999999994 109.877 178.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -58.79 -44.53 90.75 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.997 0.427 . . . . 65.420000000000002 110.727 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.8 m -156.2 -178.53 7.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.855 -0.611 . . . . 74.439999999999998 110.52 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.439 ' O ' HG23 ' A' ' 14' ' ' VAL . 30.2 p90 -56.37 -41.16 75.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.868 -0.606 . . . . 74.140000000000001 111.497 179.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.821 ' HB2' ' HB3' ' A' ' 37' ' ' MET . 12.9 p-80 -62.79 -24.56 67.8 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.452 -0.34 . . . . 72.049999999999997 111.575 -174.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.691 ' HB2' ' HB3' ' A' ' 7' ' ' PHE . 7.4 m-20 -76.62 -45.85 28.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.928 0.394 . . . . 72.510000000000005 110.347 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -68.06 -43.52 78.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.941 -0.572 . . . . 74.430000000000007 110.18 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.498 ' CG2' ' HB2' ' A' ' 85' ' ' TYR . 86.8 t -61.14 -39.72 83.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.178 -0.465 . . . . 65.329999999999998 110.551 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.55 98.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.505 -0.316 . . . . 74.010000000000005 110.836 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -71.15 -38.11 72.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.998 0.427 . . . . 54.109999999999999 110.673 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -69.94 -42.55 73.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.047 0.451 . . . . 72.510000000000005 109.979 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.68 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 34.3 ttm -67.37 -35.08 78.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.981 -0.554 . . . . 63.399999999999999 110.043 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -55.83 -33.84 64.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.619 -0.718 . . . . 62.130000000000003 110.506 174.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.2 m -69.2 -52.83 23.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.653 -0.703 . . . . 72.310000000000002 111.611 -177.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.68 ' CE2' ' HA ' ' A' ' 18' ' ' MET . 16.2 p90 -90.03 3.55 52.87 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 120.73 -0.388 . . . . 65.439999999999998 111.548 -176.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.9 t -62.24 -10.68 11.5 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.063 0.459 . . . . 64.230000000000004 110.801 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -65.94 -30.59 71.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.678 -0.692 . . . . 74.030000000000001 110.389 178.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -102.55 -9.65 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 73.530000000000001 110.783 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.451 HD13 ' HE1' ' A' ' 21' ' ' TYR . 14.7 tp -89.23 128.25 35.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.497 -0.32 . . . . 74.099999999999994 110.21 -173.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.21 150.88 33.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.838 -0.619 . . . . 71.239999999999995 109.542 173.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.9 mm -67.19 -32.73 58.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.934 -0.575 . . . . 63.130000000000003 110.578 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.28 -54.01 28.67 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 121.203 -0.522 . . . . 72.310000000000002 113.303 -178.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.421 HG23 ' HG ' ' A' ' 25' ' ' LEU . 1.8 t -67.61 -52.06 42.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.018 0.409 . . . . 75.420000000000002 111.042 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.401 ' HB2' HD23 ' A' ' 25' ' ' LEU . 82.3 t80 -50.19 -49.69 51.7 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 123.203 0.314 . . . . 73.010000000000005 111.692 178.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -61.94 -21.87 65.15 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.215 0.821 . . . . 71.109999999999999 113.215 -173.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -85.79 -63.05 1.39 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.207 0.447 . . . . 63.439999999999998 112.207 -175.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -84.02 11.84 7.25 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.446 0.535 . . . . 74.030000000000001 112.446 -172.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.491 ' HD3' ' N ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -80.93 -33.29 34.16 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.057 0.455 . . . . 71.239999999999995 110.152 172.693 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.491 ' N ' ' HD3' ' A' ' 34' ' ' LYS . 15.6 m -75.5 -33.86 60.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.394 -0.821 . . . . 71.109999999999999 110.749 -179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.0 m -55.75 -52.2 64.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.799 -0.637 . . . . 61.109999999999999 111.51 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.821 ' HB3' ' HB2' ' A' ' 11' ' ' HIS . 71.7 mtm -60.6 -26.99 67.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.259 -0.882 . . . . 74.329999999999998 111.978 -178.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 5.8 mpt_? -77.13 -38.32 52.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.114 0.483 . . . . 63.25 111.024 178.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -73.33 -51.37 17.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.698 -0.683 . . . . 75.430000000000007 112.265 -172.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -68.61 3.25 1.93 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.893 1.072 . . . . 53.210000000000001 113.893 -169.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 38' ' ' ARG . 23.6 pttm -85.19 7.36 22.2 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.908 -0.495 . . . . 70.420000000000002 111.614 -175.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.69 -34.35 77.66 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.925 0.342 . . . . 73.150000000000006 111.925 -173.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -77.34 -14.28 59.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.657 0.265 . . . . 74.409999999999997 111.0 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.8 t 58.4 35.1 24.54 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.839 -0.619 . . . . 73.109999999999999 110.473 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -110.73 142.22 42.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.131 -0.486 . . . . 71.209999999999994 110.401 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.11 -138.65 8.34 Favored Glycine 0 N--CA 1.439 -1.121 0 N-CA-C 110.898 -0.881 . . . . 63.420000000000002 110.898 172.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.564 ' HG ' ' HB2' ' A' ' 51' ' ' GLU . 12.7 tp -166.51 135.37 2.94 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.432 -0.581 . . . . 65.400000000000006 109.432 -179.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -81.84 168.18 18.25 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.222 0.534 . . . . 65.129999999999995 110.616 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.416 ' HB2' ' SD ' ' A' ' 95' ' ' MET . 34.4 p90 -62.61 -42.54 99.64 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.223 -0.899 . . . . 71.530000000000001 111.488 -176.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -77.41 -10.69 59.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.858 -0.61 . . . . 52.439999999999998 111.333 -177.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.564 ' HB2' ' HG ' ' A' ' 47' ' ' LEU . 48.4 mt-10 -84.45 -30.2 25.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.911 0.386 . . . . 74.299999999999997 110.164 177.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.402 HD23 HD23 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -72.45 98.89 2.35 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.226 -0.657 . . . . 71.140000000000001 109.226 178.723 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.9 p -137.46 172.33 13.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.75 -0.659 . . . . 52.420000000000002 110.672 -175.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.453 ' HG3' ' HA ' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -54.78 -42.37 71.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.137 0.494 . . . . 61.509999999999998 109.974 174.625 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -51.05 -46.8 61.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.983 -1.008 . . . . 63.299999999999997 111.26 176.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -61.66 -48.15 82.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.034 -0.53 . . . . 70.120000000000005 110.744 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.74 -42.92 84.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.476 -0.329 . . . . 65.519999999999996 111.151 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.471 ' O ' HG12 ' A' ' 62' ' ' ILE . 60.6 mtp180 -63.26 -55.62 23.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.026 0.441 . . . . 64.540000000000006 110.663 178.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -57.95 -44.73 87.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.249 -0.887 . . . . 75.239999999999995 111.715 -177.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -68.8 -36.77 78.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 62.32 110.367 -178.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 58.9 tp -58.74 -49.88 76.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 71.530000000000001 110.345 176.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 58' ' ' ARG . 51.6 mm -57.48 -47.92 83.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.582 -0.736 . . . . 62.020000000000003 110.512 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -56.43 -42.05 77.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.198 0.523 . . . . 74.329999999999998 110.824 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.583 ' O ' ' HB2' ' A' ' 68' ' ' LEU . 3.2 ttp -68.55 -38.5 80.85 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.762 -0.653 . . . . 60.329999999999998 111.653 -177.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 69' ' ' CYS . 19.4 ptmt -84.83 -23.1 29.21 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.512 -0.475 . . . . 72.120000000000005 111.902 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -90.51 -62.05 1.54 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.67 -0.241 . . . . 72.519999999999996 110.912 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.9 m -74.4 -47.76 31.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.858 0.361 . . . . 54.520000000000003 111.01 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.583 ' HB2' ' O ' ' A' ' 64' ' ' MET . 96.9 mt -84.02 -18.09 38.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 74.140000000000001 110.904 -178.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.509 ' HA ' ' O ' ' A' ' 65' ' ' LYS . 33.0 t 64.66 29.82 12.79 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.908 -0.587 . . . . 74.209999999999994 111.617 176.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.45 HD22 ' N ' ' A' ' 70' ' ' ASN . 0.9 OUTLIER -89.7 148.42 23.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.077 -0.389 . . . . 75.540000000000006 110.339 178.048 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.17 170.35 14.83 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.477 -0.329 . . . . 32.140000000000001 110.388 -178.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -59.97 -43.56 95.01 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.032 0.444 . . . . 70.430000000000007 110.882 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.64 ' O ' ' HD3' ' A' ' 77' ' ' ARG . 14.8 m -60.02 -25.58 65.41 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.136 -0.484 . . . . 64.340000000000003 110.749 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.2 m -86.79 -53.42 4.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.311 0.577 . . . . 62.439999999999998 110.781 175.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.65 -41.77 99.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.378 -0.828 . . . . 54.539999999999999 112.437 -173.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.423 ' HB2' HH11 ' A' ' 77' ' ' ARG . 0.9 OUTLIER -58.77 -34.22 71.19 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.884 0.474 . . . . 70.5 111.263 -179.074 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.64 ' HD3' ' O ' ' A' ' 73' ' ' SER . 10.3 mpt_? -77.72 -30.25 51.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.857 0.361 . . . . 74.099999999999994 110.408 -178.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.578 ' O ' HG22 ' A' ' 81' ' ' THR . 56.9 t30 -73.83 -43.99 57.04 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.338 -0.392 . . . . 53.43 110.0 176.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.8 mt -59.4 -32.41 70.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 73.310000000000002 110.486 176.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.468 ' O ' HG13 ' A' ' 84' ' ' ILE . 73.3 m -59.79 -26.6 65.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.994 -0.548 . . . . 75.209999999999994 112.237 177.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 78' ' ' ASN . 1.3 t -71.27 -36.57 71.77 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.842 -0.429 . . . . 75.510000000000005 109.842 -178.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 96.7 mt -75.98 -32.51 23.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 121.037 0.446 . . . . 73.519999999999996 109.861 174.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -57.2 -37.02 71.56 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.696 -0.684 . . . . 72.040000000000006 110.721 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 80' ' ' SER . 67.0 mt -58.86 -41.14 81.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.787 0.327 . . . . 62.5 110.627 178.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.498 ' HB2' ' CG2' ' A' ' 14' ' ' VAL . 65.8 t80 -69.7 -48.3 60.1 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.775 -0.454 . . . . 72.430000000000007 109.775 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.624 ' O ' HG13 ' A' ' 90' ' ' ILE . 80.0 t -60.01 -49.72 82.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.516 -0.765 . . . . 64.310000000000002 110.676 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.513 ' HA ' HD12 ' A' ' 90' ' ' ILE . 2.7 m -62.42 -38.13 88.5 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.559 -0.746 . . . . 54.200000000000003 111.632 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.37 -37.04 85.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.231 0.539 . . . . 71.439999999999998 110.034 175.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.74 -23.63 64.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.64 -0.709 . . . . 75.209999999999994 111.266 177.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.624 HG13 ' O ' ' A' ' 86' ' ' VAL . 62.6 mt -79.66 -38.93 19.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.094 0.473 . . . . 62.229999999999997 110.143 176.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -77.39 -45.12 26.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.87 -0.604 . . . . 73.340000000000003 111.299 -175.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -141.0 31.46 1.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.961 0.41 . . . . 52.109999999999999 111.829 -174.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -120.69 -97.43 1.58 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.385 -0.912 . . . . 74.109999999999999 112.73 -179.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -148.34 -32.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.603 0.239 . . . . 64.329999999999998 110.926 -176.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.438 ' HB2' ' HA ' ' A' ' 90' ' ' ILE . 98.8 mmm -53.0 131.38 36.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.951 -0.568 . . . . 55.229999999999997 111.35 -177.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -78.13 -46.39 20.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.744 -0.662 . . . . 75.150000000000006 110.215 -176.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -141.29 172.51 12.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.037 -0.529 . . . . 75.129999999999995 110.082 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.456 ' OD2' ' HG2' ' A' ' 101' ' ' LYS . 4.1 p-10 -85.71 144.18 39.35 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.86 -0.609 . . . . 73.209999999999994 110.66 178.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.01 -4.72 15.2 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.805 2.337 . . . . 65.510000000000005 113.786 -173.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.606 ' HA ' ' HB2' ' A' ' 103' ' ' PHE . 52.8 p90 -102.6 -0.25 32.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.63 0.729 . . . . 72.349999999999994 111.35 -178.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.93 ' HE2' ' HA ' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -55.98 -44.74 78.86 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.8 -1.091 . . . . 73.430000000000007 110.732 175.306 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.565 ' HA ' ' O ' ' A' ' 106' ' ' GLU . 18.3 t70 -106.66 17.67 22.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.7 0.762 . . . . 65.030000000000001 109.904 -177.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.606 ' HB2' ' HA ' ' A' ' 100' ' ' PHE . 20.6 t80 -58.6 -40.33 82.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.157 -0.929 . . . . 73.239999999999995 111.759 -175.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -173.53 -65.16 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 119.892 -1.147 . . . . 72.040000000000006 113.425 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.8 tt -58.36 -45.05 88.93 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.04 0.448 . . . . 61.130000000000003 110.735 -175.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.565 ' O ' ' HA ' ' A' ' 102' ' ' ASP . 32.9 mt-10 -109.58 132.24 54.32 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.96 -0.385 . . . . 73.540000000000006 109.96 178.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -127.21 146.61 50.35 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.329 -0.396 . . . . 73.340000000000003 110.409 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 62.75 45.83 5.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.854 -0.612 . . . . 65.400000000000006 109.871 178.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.511 ' O ' ' HB3' ' A' ' 110' ' ' HIS . 27.4 t-80 68.46 2.92 3.55 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.714 -0.676 . . . . 75.25 111.402 178.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.563 ' HB2' ' HB3' ' A' ' 106' ' ' GLU . 21.3 t-80 70.48 127.73 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 122.714 0.406 . . . . 75.129999999999995 110.43 -176.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -56.91 112.39 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 64.319999999999993 110.054 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 6.3 t60 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.625 -0.702 . . . . 74.439999999999998 109.693 -176.216 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 121.027 0.441 . . . . 75.230000000000004 110.041 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -162.27 -158.2 0.51 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.854 -0.795 . . . . 74.099999999999994 108.854 -178.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 45.2 t30 66.02 84.28 0.18 Allowed Pre-proline 0 N--CA 1.464 0.264 0 CA-C-O 121.156 0.503 . . . . 74.219999999999999 110.254 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -84.68 -10.41 8.52 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.794 2.33 . . . . 62.32 113.386 -175.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 p -79.62 50.95 1.2 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.353 0.597 . . . . 75.540000000000006 110.672 -177.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -95.22 4.01 53.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.626 0.727 . . . . 72.420000000000002 111.014 -175.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.566 ' HB3' ' CB ' ' A' ' 12' ' ' ASP . 3.7 m-85 -92.88 124.42 36.85 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.588 -0.733 . . . . 72.420000000000002 109.19 176.28 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.548 ' HB2' ' NZ ' ' A' ' 8' ' ' LYS . 9.8 mtmp? -89.92 -28.28 19.28 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.315 -0.402 . . . . 73.340000000000003 111.18 -177.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.545 ' HA ' ' HA2' ' A' ' 46' ' ' GLY . 11.2 m -144.1 175.69 9.86 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.9 0.381 . . . . 62.229999999999997 111.827 -166.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.657 ' HE1' ' H ' ' A' ' 44' ' ' CYS . 47.4 p90 -59.12 -38.32 79.32 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.787 -0.642 . . . . 63.109999999999999 111.554 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.703 ' HD2' ' HB3' ' A' ' 43' ' ' TYR . 19.5 p80 -64.85 -24.49 67.56 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 120.797 -0.361 . . . . 70.140000000000001 110.423 -178.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.566 ' CB ' ' HB3' ' A' ' 7' ' ' PHE . 23.5 m-20 -80.27 -48.29 13.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.117 0.484 . . . . 64.439999999999998 110.361 176.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -62.44 -49.02 77.1 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.714 -0.676 . . . . 74.510000000000005 111.092 -178.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.5 t -64.94 -34.46 70.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.045 -0.525 . . . . 72.340000000000003 110.572 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.63 -41.19 98.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.562 0.22 . . . . 54.340000000000003 111.083 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -68.24 -44.58 75.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.357 -0.383 . . . . 54.520000000000003 110.444 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -62.35 -43.24 99.29 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.219 0.533 . . . . 74.120000000000005 110.209 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.525 ' HG3' ' HE1' ' A' ' 30' ' ' PHE . 34.2 tpp -61.08 -47.21 87.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.237 -0.892 . . . . 75.340000000000003 110.16 178.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -57.96 -38.25 75.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.347 -0.842 . . . . 54.329999999999998 110.668 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 84.9 m -60.16 -51.35 69.98 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.177 -0.465 . . . . 62.109999999999999 112.058 -176.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.448 ' HE1' ' SD ' ' A' ' 18' ' ' MET . 4.2 p90 -84.22 -13.94 51.35 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.895 -0.503 . . . . 71.310000000000002 110.906 -178.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.5 t -65.82 -11.55 47.26 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.083 -0.508 . . . . 65.120000000000005 111.462 177.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 23' ' ' ARG . 50.4 mtp180 -64.46 -22.06 66.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.963 0.411 . . . . 75.549999999999997 111.176 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -87.02 -41.51 13.81 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.091 -0.504 . . . . 63.200000000000003 111.36 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 2.4 pp -91.29 173.29 8.0 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 121.431 0.634 . . . . 73.209999999999994 111.916 -172.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -88.22 168.4 12.77 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.25 -0.887 . . . . 74.329999999999998 110.846 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.1 mm -66.79 -29.29 45.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.915 -0.584 . . . . 73.019999999999996 110.464 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.17 -51.73 48.57 Favored Glycine 0 CA--C 1.522 0.469 0 CA-C-N 116.036 -0.529 . . . . 42.340000000000003 113.494 -178.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.9 t -79.22 -36.52 39.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.796 0.331 . . . . 53.130000000000003 110.629 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.525 ' HE1' ' HG3' ' A' ' 18' ' ' MET . 37.6 t80 -54.34 -53.3 55.78 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.288 -0.414 . . . . 73.109999999999999 111.443 175.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.713 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 36.1 ptt180 -66.66 -25.54 66.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 73.049999999999997 111.129 -176.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -60.29 -34.68 74.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.325 -0.398 . . . . 75.349999999999994 111.043 -176.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -111.03 5.81 20.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.99 0.424 . . . . 75.329999999999998 110.693 177.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.713 ' HB3' ' HA ' ' A' ' 31' ' ' ARG . 79.6 tttt -96.3 -42.48 8.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.95 -0.568 . . . . 74.109999999999999 111.317 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.6 t -62.64 -29.51 70.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.472 -0.785 . . . . 75.340000000000003 112.22 -167.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 56.3 m -61.12 -62.44 1.85 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.87 0.367 . . . . 33.140000000000001 110.858 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 48.8 ttm -68.74 -28.9 67.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.857 -0.61 . . . . 74.230000000000004 110.982 -178.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.567 ' HG3' ' HE2' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -65.21 -44.23 88.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.273 -0.421 . . . . 71.310000000000002 110.958 -177.565 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -57.96 -67.31 0.35 Allowed 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.74 -0.664 . . . . 62.520000000000003 111.937 -177.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.54 ' HD1' ' HB3' ' A' ' 42' ' ' GLU . 7.9 t80 -71.85 -22.24 61.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.971 -0.558 . . . . 75.239999999999995 111.197 -176.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.5 pttt 46.72 35.35 3.03 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.093 0.957 . . . . 71.230000000000004 111.718 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.54 ' HB3' ' HD1' ' A' ' 40' ' ' PHE . 6.0 pt-20 -64.29 152.04 42.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.274 -0.876 . . . . 73.099999999999994 112.213 -175.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.703 ' HB3' ' HD2' ' A' ' 11' ' ' HIS . 27.8 p90 -155.21 139.02 16.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.581 -0.736 . . . . 63.130000000000003 110.753 -176.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.657 ' H ' ' HE1' ' A' ' 10' ' ' PHE . 48.2 t -98.41 60.79 1.38 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.089 -0.708 . . . . 71.340000000000003 109.089 174.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 68.65 -70.35 0.13 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.403 -0.817 . . . . 71.010000000000005 111.115 -176.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.545 ' HA2' ' HA ' ' A' ' 9' ' ' SER . . . -140.26 -130.33 2.64 Favored Glycine 0 N--CA 1.442 -0.955 0 N-CA-C 110.996 -0.842 . . . . 42.140000000000001 110.996 177.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.612 ' HG ' ' HB3' ' A' ' 10' ' ' PHE . 2.5 tm? -176.35 112.34 0.1 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.67 0.748 . . . . 72.420000000000002 111.097 170.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.427 ' H ' ' HB2' ' A' ' 51' ' ' GLU . 1.7 mp0 -126.55 -177.6 4.06 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 114.356 -1.293 . . . . 74.010000000000005 108.061 176.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -66.25 -34.58 78.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.139 0.495 . . . . 72.329999999999998 110.61 -178.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -73.48 -8.03 54.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.941 -0.572 . . . . 74.040000000000006 111.47 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.427 ' HB2' ' H ' ' A' ' 48' ' ' GLN . 30.1 mt-10 -110.25 6.17 22.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.965 0.412 . . . . 64.400000000000006 111.017 -178.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.608 HD23 HD21 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -128.62 87.19 2.55 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.023 -0.732 . . . . 74.409999999999997 109.023 178.011 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.461 ' O ' HD23 ' A' ' 57' ' ' LEU . 38.7 p -132.19 179.66 5.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.088 -0.506 . . . . 74.409999999999997 111.178 -174.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.529 ' CG ' ' HA ' ' A' ' 103' ' ' PHE . 6.7 tm-20 -57.9 -45.99 85.61 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.698 -0.482 . . . . 73.420000000000002 109.698 172.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.91 -36.44 79.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.683 -0.69 . . . . 54.329999999999998 110.662 -178.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.516 ' O ' ' HB2' ' A' ' 60' ' ' TYR . 87.9 t80 -63.16 -51.42 66.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 61.25 110.336 176.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 53' ' ' THR . 4.3 mm? -61.28 -40.44 94.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.266 -0.424 . . . . 72.219999999999999 110.912 178.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -60.13 -53.72 54.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.603 -0.726 . . . . 74.219999999999999 110.998 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.77 -38.08 88.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 71.519999999999996 111.046 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.516 ' HB2' ' O ' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -71.3 -28.75 64.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.913 -0.585 . . . . 74.329999999999998 111.19 -176.467 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.7 tp -64.95 -48.15 75.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.173 0.511 . . . . 55.299999999999997 109.961 173.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.6 mm -59.4 -50.06 81.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.469 -0.787 . . . . 72.239999999999995 109.8 175.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -55.38 -38.31 68.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.449 -0.796 . . . . 74.049999999999997 111.17 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.6 ' HG2' ' CB ' ' A' ' 75' ' ' ALA . 22.1 tpp -62.76 -47.89 81.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.902 -0.59 . . . . 75.230000000000004 111.569 -178.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 12.5 tmtt? -83.03 -42.79 17.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.7 -0.682 . . . . 71.219999999999999 110.479 -174.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -73.9 -61.13 1.95 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.637 -0.711 . . . . 74.140000000000001 111.368 -176.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.3 m -80.35 -47.7 14.08 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.306 0.484 . . . . 73.040000000000006 112.306 -173.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.435 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 1.8 tt -80.24 -88.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.741 -0.384 . . . . 62.450000000000003 111.15 -171.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.435 ' SG ' ' O ' ' A' ' 68' ' ' LEU . 63.3 m -174.89 -49.09 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.134 0.492 . . . . 73.109999999999999 111.005 -171.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.695 ' HB3' ' HB ' ' A' ' 74' ' ' THR . 20.7 m-80 -61.05 140.11 57.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.985 -1.007 . . . . 75.239999999999995 112.619 -166.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.56 -177.81 6.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.175 -0.92 . . . . 64.310000000000002 109.577 174.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -50.01 -57.36 7.75 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.885 0.374 . . . . 72.510000000000005 111.483 -175.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.403 ' O ' ' HB2' ' A' ' 76' ' ' GLN . 17.9 m -57.42 -46.32 83.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.793 -0.639 . . . . 62.020000000000003 111.529 -176.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.695 ' HB ' ' HB3' ' A' ' 70' ' ' ASN . 1.4 m -71.34 -35.35 71.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.906 0.384 . . . . 54.32 110.819 -178.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.6 ' CB ' ' HG2' ' A' ' 64' ' ' MET . . . -59.27 -38.93 81.36 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.991 -0.55 . . . . 63.100000000000001 110.131 176.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 73' ' ' SER . 29.6 mm-40 -58.39 -35.01 71.36 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.377 -0.829 . . . . 64.439999999999998 110.971 178.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -70.71 -46.0 63.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 74.439999999999998 111.079 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -70.14 -21.77 63.05 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.079 0.466 . . . . 74.319999999999993 110.775 -177.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 93.0 mt -86.79 -31.92 20.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.027 0.441 . . . . 63.119999999999997 110.547 174.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.578 ' O ' HG13 ' A' ' 84' ' ' ILE . 34.9 t -64.0 -33.87 76.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.037 -0.529 . . . . 70.140000000000001 111.137 -179.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.2 p -60.75 -48.69 80.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.049 0.452 . . . . 61.539999999999999 110.479 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.4 mt -63.0 -40.3 88.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.607 -0.724 . . . . 74.439999999999998 110.221 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 87' ' ' SER . 21.2 tttm -59.21 -35.49 73.7 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.719 -0.673 . . . . 62.399999999999999 111.346 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.578 HG13 ' O ' ' A' ' 80' ' ' SER . 76.6 mt -59.95 -39.84 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.951 0.405 . . . . 73.230000000000004 110.439 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -72.94 -43.94 61.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 75.120000000000005 110.153 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.626 HG13 ' SD ' ' A' ' 95' ' ' MET . 90.6 t -62.43 -51.78 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.882 -0.599 . . . . 74.519999999999996 111.015 178.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 1.3 m -57.53 -35.61 70.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.706 -0.679 . . . . 70.25 111.454 179.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.61 -33.7 64.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.427 . . . . 73.530000000000001 110.953 177.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.609 ' HB1' ' HB3' ' A' ' 94' ' ' TYR . . . -67.7 -25.81 65.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.134 -0.484 . . . . 33.340000000000003 111.2 179.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 86' ' ' VAL . 58.9 mt -71.13 -39.52 73.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.084 0.469 . . . . 61.420000000000002 109.916 176.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.495 ' HD3' ' O ' ' A' ' 91' ' ' LYS . 8.1 tmtt? -66.82 -38.11 85.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.755 -0.657 . . . . 63.100000000000001 109.3 176.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -68.05 -32.63 73.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.528 -0.76 . . . . 73.340000000000003 110.765 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.69 24.85 7.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.894 -0.67 . . . . 65.150000000000006 112.345 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.609 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 66.5 t80 -90.36 -46.28 8.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.005 0.431 . . . . 74.150000000000006 110.07 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.626 ' SD ' HG13 ' A' ' 86' ' ' VAL . 87.2 mtp -109.9 149.1 30.39 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.144 -0.48 . . . . 71.209999999999994 110.593 178.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -77.43 -35.39 54.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.779 -0.646 . . . . 73.120000000000005 111.719 -176.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -155.72 157.67 36.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.265 -0.425 . . . . 74.010000000000005 111.457 -174.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.59 144.21 93.77 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.381 -0.827 . . . . 53.5 110.578 174.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -64.89 -27.43 58.87 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.381 2.054 . . . . 65.420000000000002 110.499 171.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -60.91 -29.73 69.76 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.104 -0.953 . . . . 72.319999999999993 110.838 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -72.08 -45.44 60.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.163 -0.471 . . . . 71.109999999999999 111.039 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -83.7 -11.14 57.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.932 -0.576 . . . . 63.32 110.673 -176.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.529 ' HA ' ' CG ' ' A' ' 54' ' ' GLU . 38.4 t80 -68.56 -18.95 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.54 -0.755 . . . . 64.209999999999994 110.913 -179.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.06 -132.22 2.98 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.585 -0.817 . . . . 32.140000000000001 112.233 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -152.17 113.09 4.2 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.985 -0.376 . . . . 74.010000000000005 109.985 -176.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -91.6 -75.51 0.47 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.12 0.486 . . . . 75.340000000000003 109.954 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -153.84 125.61 7.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.342 -0.845 . . . . 65.510000000000005 108.775 -178.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 38.5 t60 -69.6 126.59 30.21 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.319 -0.623 . . . . 72.230000000000004 109.319 177.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -53.91 129.87 35.44 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.414 0.446 . . . . 71.530000000000001 110.622 -177.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.479 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 54.7 t60 -74.5 -83.91 0.05 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.624 -0.262 . . . . 54.229999999999997 110.872 -178.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.479 ' HB2' ' O ' ' A' ' 110' ' ' HIS . 24.3 t-80 172.04 147.22 0.04 OUTLIER 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.858 -0.423 . . . . 72.420000000000002 109.858 -176.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.653 -0.689 . . . . 64.409999999999997 109.848 177.834 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 110.052 -0.351 . . . . 61.039999999999999 110.052 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -132.83 -62.75 0.8 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.231 -0.44 . . . . 73.409999999999997 109.925 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.461 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 16.8 m120 -91.65 144.2 29.13 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.925 -0.579 . . . . 75.450000000000003 110.211 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 3' ' ' ASN . 2.8 Cg_exo -75.7 165.74 29.68 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.847 2.364 . . . . 63.229999999999997 111.604 176.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 m -75.09 77.26 2.26 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.228 0.537 . . . . 64.310000000000002 110.339 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -99.74 4.07 45.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.543 0.687 . . . . 62.229999999999997 110.842 -177.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -89.18 120.59 30.7 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.139 -0.937 . . . . 61.109999999999999 109.611 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -78.13 -25.99 47.65 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.328 -0.396 . . . . 71.129999999999995 111.43 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.8 p -157.85 -173.44 4.37 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.077 0.465 . . . . 52.439999999999998 111.484 -174.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.435 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.5 p90 -57.84 -40.63 80.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.263 -0.881 . . . . 74.219999999999999 111.771 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -73.69 -23.36 59.8 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 120.699 -0.4 . . . . 74.349999999999994 111.286 -174.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.79 -41.8 51.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.95 0.405 . . . . 64.219999999999999 110.334 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.593 ' CD1' ' HB2' ' A' ' 85' ' ' TYR . 24.4 t80 -62.83 -42.73 99.85 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.417 -0.586 . . . . 74.120000000000005 109.417 177.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.466 ' O ' ' HB2' ' A' ' 18' ' ' MET . 54.3 t -56.83 -55.34 20.52 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.304 0 CA-C-N 115.198 -0.91 . . . . 73.5 111.184 177.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.06 -28.99 63.05 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.143 0.423 . . . . 45.43 112.143 -175.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.3 t -78.92 -45.19 21.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.717 -0.22 . . . . 74.109999999999999 111.238 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -77.44 -40.32 43.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.228 0.537 . . . . 74.109999999999999 110.422 -177.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.595 ' HB3' ' HE1' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -62.67 -28.34 69.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.385 -0.825 . . . . 73.239999999999995 111.474 178.248 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -49.83 -32.71 14.84 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.929 -0.578 . . . . 72.129999999999995 110.972 175.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.5 m -57.7 -56.07 26.67 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.294 -0.412 . . . . 55.030000000000001 112.089 -178.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.599 ' HE2' HD22 ' A' ' 25' ' ' LEU . 31.1 p90 -89.79 -7.06 55.25 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 121.041 -0.264 . . . . 71.230000000000004 111.12 -176.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.4 t -58.3 -21.02 47.46 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.488 -0.324 . . . . 72.439999999999998 111.468 176.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -68.23 -23.16 64.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.055 0.455 . . . . 70.109999999999999 110.833 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -112.81 13.29 19.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.964 -0.562 . . . . 71.230000000000004 110.422 -174.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.599 HD22 ' HE2' ' A' ' 21' ' ' TYR . 16.2 tp -127.94 139.91 52.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.83 -0.623 . . . . 70.450000000000003 109.703 -179.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -65.03 142.54 58.38 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.205 -0.452 . . . . 65.519999999999996 110.773 175.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.5 mm -61.03 -35.61 66.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.768 -0.651 . . . . 64.430000000000007 110.196 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.29 -47.76 79.87 Favored Glycine 0 CA--C 1.519 0.317 0 CA-C-N 115.826 -0.625 . . . . 50.43 112.685 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.496 HG23 ' HG ' ' A' ' 25' ' ' LEU . 8.8 t -79.44 -43.14 23.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.579 -0.365 . . . . 75.299999999999997 110.869 -178.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.595 ' HE1' ' HB3' ' A' ' 18' ' ' MET . 83.4 t80 -54.71 -44.31 73.36 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.821 0.344 . . . . 75.409999999999997 111.921 177.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.437 ' HB2' ' OG ' ' A' ' 35' ' ' SER . 22.2 ptt180 -69.59 -19.21 63.66 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.658 0.244 . . . . 65.230000000000004 111.658 -175.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -56.94 -24.01 49.68 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.819 0.342 . . . . 72.010000000000005 110.964 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -104.83 -60.86 1.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.19 -0.459 . . . . 75.109999999999999 109.78 176.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -51.05 -54.37 25.36 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.303 -0.862 . . . . 74.420000000000002 112.782 -175.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.437 ' OG ' ' HB2' ' A' ' 31' ' ' ARG . 27.3 m -74.82 -23.68 58.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.66 0.267 . . . . 51.43 111.548 -173.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 39' ' ' LYS . 69.5 m -80.39 -45.43 17.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.914 0.388 . . . . 50.100000000000001 111.544 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 81.8 mtp -61.79 -27.12 68.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.107 -0.497 . . . . 65.540000000000006 111.282 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -78.94 -26.15 43.6 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.054 0.39 . . . . 74.200000000000003 112.054 176.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.983 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -52.7 -63.05 1.27 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 114.323 1.231 . . . . 73.109999999999999 114.323 -169.68 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -46.56 -51.07 16.36 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.881 0.738 . . . . 72.140000000000001 111.587 -173.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.0 tttm 48.11 94.43 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.824 1.046 . . . . 72.230000000000004 113.824 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -90.0 -85.23 0.22 Allowed 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.812 -0.555 . . . . 73.299999999999997 110.105 170.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -116.45 15.24 15.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.186 -0.461 . . . . 72.299999999999997 109.978 176.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 66.3 m 72.58 -0.38 3.33 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.142 -0.935 . . . . 74.340000000000003 110.416 -173.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.23 150.99 20.92 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.919 -1.141 . . . . 63.329999999999998 107.919 175.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 175.55 98.83 0.11 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.27 -0.967 . . . . 55.409999999999997 113.202 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.618 HD11 HD23 ' A' ' 52' ' ' LEU . 3.0 tm? 74.61 127.34 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.62 0.724 . . . . 44.450000000000003 111.735 171.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.544 HE21 ' C ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -113.49 -174.55 2.48 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.623 -0.717 . . . . 63.409999999999997 109.928 177.426 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -82.88 -23.5 33.59 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 113.441 0.904 . . . . 63.329999999999998 113.441 -168.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -89.39 -27.94 20.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.311 0.577 . . . . 72.319999999999993 110.534 -178.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -87.36 -3.04 59.02 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.365 -0.834 . . . . 74.109999999999999 110.781 177.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.618 HD23 HD11 ' A' ' 47' ' ' LEU . 3.2 tm? -81.81 105.94 13.34 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.081 -0.711 . . . . 74.129999999999995 109.081 175.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.493 ' O ' HD23 ' A' ' 57' ' ' LEU . 77.9 p -135.04 174.02 11.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.98 -0.554 . . . . 72.109999999999999 110.466 -178.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.597 ' HG2' ' HD1' ' A' ' 103' ' ' PHE . 9.2 tm-20 -57.74 -38.74 75.87 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.22 -0.659 . . . . 74.349999999999994 109.22 171.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.85 -41.94 88.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.491 -0.777 . . . . 72.200000000000003 110.647 176.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.485 ' CE2' ' HG ' ' A' ' 47' ' ' LEU . 71.0 t80 -66.67 -44.66 81.24 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.877 -0.329 . . . . 72.420000000000002 110.653 179.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.545 HD13 HD22 ' A' ' 79' ' ' LEU . 4.3 mm? -54.59 -42.22 70.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.227 0.537 . . . . 70.0 110.101 176.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.448 ' HD3' ' N ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -66.86 -43.49 83.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.445 -0.798 . . . . 74.310000000000002 111.387 176.358 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.448 ' N ' ' HD3' ' A' ' 58' ' ' ARG . 31.4 t70 -69.04 -42.77 75.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.85 0.357 . . . . 71.329999999999998 111.169 -177.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -66.73 -32.57 73.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.297 -0.411 . . . . 74.420000000000002 109.932 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 50.3 tp -59.2 -49.68 76.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.901 -0.59 . . . . 62.509999999999998 110.204 173.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.97 -46.7 95.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.685 -0.688 . . . . 75.530000000000001 110.715 177.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -57.56 -37.79 73.72 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.018 -0.537 . . . . 73.219999999999999 110.601 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.735 ' HG2' ' HB2' ' A' ' 75' ' ' ALA . 8.4 tpp -62.2 -42.86 99.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.696 -0.684 . . . . 71.439999999999998 110.791 178.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -78.82 -41.0 31.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.94 -0.573 . . . . 71.510000000000005 110.543 -177.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -74.47 -65.04 0.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.993 -0.549 . . . . 74.030000000000001 111.561 -176.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.5 m -80.99 -49.84 10.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.247 -0.433 . . . . 71.319999999999993 111.778 -174.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 64' ' ' MET . 87.1 mt -77.75 -14.47 59.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.649 -0.25 . . . . 74.129999999999995 111.36 -174.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 60.6 m 65.15 27.69 12.32 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.645 0.59 . . . . 70.510000000000005 111.946 174.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -104.86 151.14 24.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.203 0.525 . . . . 73.540000000000006 111.198 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.41 165.97 23.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.454 -0.794 . . . . 73.239999999999995 111.708 -176.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -56.33 -39.01 72.12 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.692 -0.685 . . . . 74.010000000000005 111.179 -178.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.1 m -59.66 -41.0 89.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.766 0.317 . . . . 33.409999999999997 111.139 -178.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.3 m -72.99 -42.14 63.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.017 0.437 . . . . 60.240000000000002 110.211 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.735 ' HB2' ' HG2' ' A' ' 64' ' ' MET . . . -61.53 -47.61 84.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.879 -0.6 . . . . 72.129999999999995 111.262 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -57.79 -39.58 77.85 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.974 -0.557 . . . . 62.229999999999997 111.35 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -70.41 -38.97 74.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.202 -0.454 . . . . 71.120000000000005 111.234 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.407 ' O ' HG13 ' A' ' 82' ' ' ILE . 96.0 m-20 -65.57 -38.91 90.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.036 0.446 . . . . 61.130000000000003 110.314 176.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.596 HD23 HD12 ' A' ' 82' ' ' ILE . 98.3 mt -68.93 -33.14 73.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.749 -0.66 . . . . 75.450000000000003 110.369 177.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.581 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 16.0 t -62.79 -33.33 74.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.043 -0.526 . . . . 75.530000000000001 111.178 178.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.57 -27.27 58.52 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.777 -0.369 . . . . 74.310000000000002 110.92 175.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.596 HD12 HD23 ' A' ' 79' ' ' LEU . 60.9 mt -66.56 -46.39 86.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 73.109999999999999 111.044 178.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' A' ' 80' ' ' SER . 3.2 pptp? -59.06 -28.76 66.77 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 116.741 -0.208 . . . . 74.540000000000006 111.137 179.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.8 mm -61.05 -52.96 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 121.071 -0.252 . . . . 62.310000000000002 111.247 177.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.593 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 1.9 p90 -73.52 -32.95 64.52 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 120.584 -0.446 . . . . 74.230000000000004 110.472 -176.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.547 ' O ' HG13 ' A' ' 90' ' ' ILE . 73.2 t -64.19 -48.86 83.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.68 -0.489 . . . . 63.219999999999999 109.68 175.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 83' ' ' LYS . 1.7 m -58.01 -38.6 76.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.594 -0.73 . . . . 75.209999999999994 111.169 176.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.5 -33.79 76.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.036 0.446 . . . . 63.210000000000001 111.198 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.54 -28.17 58.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.312 -0.404 . . . . 51.299999999999997 110.912 177.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.601 HG12 ' HB3' ' A' ' 95' ' ' MET . 75.5 mt -70.18 -41.63 78.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.469 -0.332 . . . . 72.409999999999997 111.058 -179.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -65.75 -34.5 78.34 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.842 -0.343 . . . . 72.430000000000007 111.074 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -89.59 -1.12 57.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.197 0.522 . . . . 74.030000000000001 110.932 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.03 17.84 73.61 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.83 -0.623 . . . . 71.230000000000004 113.912 172.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -83.05 -29.6 28.69 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.601 -0.889 . . . . 72.319999999999993 108.601 175.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.601 ' HB3' HG12 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -111.2 124.45 52.24 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 107.884 -1.154 . . . . 72.109999999999999 107.884 172.018 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -81.85 -37.18 27.36 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 113.404 0.89 . . . . 74.310000000000002 113.404 -168.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -139.3 147.42 41.59 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.45 -0.5 . . . . 74.230000000000004 111.22 -170.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.13 139.32 65.0 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 116.003 -0.544 . . . . 70.530000000000001 111.297 -178.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -96.08 -23.94 0.13 Allowed 'Trans proline' 0 N--CA 1.448 -1.191 0 C-N-CA 123.142 2.562 . . . . 72.120000000000005 111.889 170.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.721 ' HA ' ' HB3' ' A' ' 103' ' ' PHE . 98.0 m-85 -84.58 -15.25 46.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.995 -0.548 . . . . 74.329999999999998 110.84 -174.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.92 -38.49 91.15 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 109.325 -0.62 . . . . 71.5 109.325 175.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.7 -28.93 22.81 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 115.822 -0.626 . . . . 74.340000000000003 110.624 175.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.721 ' HB3' ' HA ' ' A' ' 100' ' ' PHE . 71.4 t80 -61.67 -35.47 78.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.536 -0.756 . . . . 75.319999999999993 109.871 177.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -72.94 -69.83 1.33 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.662 -0.78 . . . . 44.119999999999997 111.159 171.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 52.1 tp 178.29 143.2 0.11 Allowed 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.617 -0.512 . . . . 73.140000000000001 109.617 177.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.07 90.4 3.62 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.947 -0.76 . . . . 74.549999999999997 108.947 176.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -83.48 115.15 21.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.945 -0.57 . . . . 75.150000000000006 110.512 -175.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -73.78 75.07 1.59 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.574 -0.739 . . . . 75.5 111.244 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -82.31 107.16 14.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.442 -0.799 . . . . 73.530000000000001 109.024 173.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.0 t60 62.43 -140.52 0.42 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.398 -0.964 . . . . 71.329999999999998 108.398 -177.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 58.4 m170 69.21 15.77 8.57 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.691 0.281 . . . . 73.420000000000002 111.66 173.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.456 -0.783 . . . . 72.0 109.814 178.492 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 121.024 0.44 . . . . 74.120000000000005 110.708 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -84.57 156.11 21.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.167 -0.469 . . . . 62.539999999999999 109.773 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.4 t30 58.15 79.93 0.3 Allowed Pre-proline 0 C--N 1.33 -0.274 0 O-C-N 123.623 0.577 . . . . 44.32 109.724 -172.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -64.67 -50.05 2.72 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.822 2.348 . . . . 74.25 112.166 -176.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 m -87.72 110.13 20.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.074 -0.512 . . . . 51.439999999999998 110.474 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -85.6 6.4 27.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.65 0.738 . . . . 62.340000000000003 110.987 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.473 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 1.6 p90 -118.03 108.08 14.8 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.297 -0.865 . . . . 72.239999999999995 111.551 -177.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -94.69 -16.39 23.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.118 -0.947 . . . . 74.140000000000001 109.678 172.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 m -102.33 145.47 29.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.044 -0.98 . . . . 74.239999999999995 111.515 -171.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.488 ' O ' HG23 ' A' ' 14' ' ' VAL . 35.2 p90 -55.33 -42.52 73.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.103 -0.499 . . . . 72.120000000000005 110.851 177.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -66.5 -32.51 73.92 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.585 -0.28 . . . . 75.450000000000003 111.629 -178.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.473 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 1.1 m-20 -80.49 -34.69 35.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.652 -0.249 . . . . 73.319999999999993 111.085 179.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.496 ' CD2' ' HD1' ' A' ' 85' ' ' TYR . 65.8 t80 -60.0 -49.3 78.2 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.705 -0.48 . . . . 75.349999999999994 109.705 174.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 10' ' ' PHE . 84.9 t -58.65 -45.09 90.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.818 -0.628 . . . . 50.240000000000002 110.668 178.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.35 97.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.412 -0.358 . . . . 54.130000000000003 111.421 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.87 -44.32 73.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 120.757 0.313 . . . . 75.25 110.852 -179.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -64.82 -34.43 78.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.518 0.675 . . . . 75.219999999999999 109.801 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.483 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 30.4 ttm -71.19 -26.75 63.09 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.184 -0.916 . . . . 51.229999999999997 111.231 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -50.87 -48.7 60.17 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.72 0.295 . . . . 73.230000000000004 111.414 175.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.9 m -69.67 -33.63 72.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.37 0.605 . . . . 43.0 110.24 177.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.483 ' HB3' ' HA ' ' A' ' 18' ' ' MET . 80.3 t80 -66.96 -30.58 70.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.6 -0.727 . . . . 75.310000000000002 110.493 177.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.533 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 31.9 t -71.15 -14.48 62.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.789 -0.641 . . . . 75.319999999999993 111.158 -178.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -63.02 -31.8 73.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.329 0.585 . . . . 71.340000000000003 109.543 173.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -105.78 13.32 29.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.467 -0.788 . . . . 70.239999999999995 110.141 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.657 ' HG ' HG23 ' A' ' 29' ' ' THR . 13.7 tp -124.75 142.51 51.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.169 -0.469 . . . . 62.509999999999998 110.061 -176.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.53 154.97 41.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.78 0.324 . . . . 73.439999999999998 110.287 173.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.7 mt -65.88 -34.53 70.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.895 -0.593 . . . . 74.420000000000002 110.183 178.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.3 -58.82 12.38 Favored Glycine 0 CA--C 1.518 0.27 0 CA-C-N 115.836 -0.62 . . . . 52.329999999999998 112.594 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.657 HG23 ' HG ' ' A' ' 25' ' ' LEU . 1.8 t -66.0 -42.5 89.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.474 0.137 . . . . 55.130000000000003 111.011 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -51.5 -53.14 40.64 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 111.633 0.235 . . . . 72.209999999999994 111.633 176.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.913 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 36.2 ptt180 -71.48 -20.57 62.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.45 0.167 . . . . 73.439999999999998 111.301 -175.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -66.68 -24.71 66.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.156 0.503 . . . . 55.329999999999998 110.345 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -132.36 39.52 3.38 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.994 -0.743 . . . . 65.209999999999994 108.994 176.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.913 ' HB2' ' HA ' ' A' ' 31' ' ' ARG . 78.1 tttt -72.42 -69.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.798 -1.092 . . . . 52.43 111.399 -175.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.9 p -93.28 -71.87 0.63 Allowed 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 120.929 -0.308 . . . . 70.409999999999997 111.04 -177.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 61.2 m 44.81 -86.78 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.868 0.867 . . . . 73.450000000000003 112.818 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.621 ' HB3' HD21 ' A' ' 78' ' ' ASN . 22.8 ptt? -70.96 -26.59 63.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 63.140000000000001 111.15 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -75.43 -29.66 59.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.934 0.873 . . . . 74.299999999999997 109.635 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -36.35 24.31 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.276 -1.329 . . . . 51.409999999999997 111.416 -179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.513 ' HZ ' ' HE1' ' A' ' 63' ' ' TYR . 14.7 t80 -73.18 -28.67 62.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.117 -0.492 . . . . 74.230000000000004 109.952 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.494 ' HD2' ' O ' ' A' ' 40' ' ' PHE . 5.2 mptp? -139.23 100.21 3.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.84 -0.618 . . . . 75.329999999999998 110.709 -178.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -64.88 -68.19 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.619 0.723 . . . . 73.049999999999997 109.328 175.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -123.6 126.08 45.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.0 -1.0 . . . . 70.510000000000005 108.937 176.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.9 p -146.35 -85.92 0.11 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.414 -0.357 . . . . 64.439999999999998 111.087 -172.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.462 ' HB2' ' H ' ' A' ' 46' ' ' GLY . 1.5 pm0 43.29 -153.94 0.02 OUTLIER 'General case' 0 C--N 1.346 0.44 0 C-N-CA 123.513 0.725 . . . . 72.230000000000004 112.559 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.462 ' H ' ' HB2' ' A' ' 45' ' ' GLU . . . 92.04 -13.44 66.96 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.465 -0.874 . . . . 52.140000000000001 111.603 -177.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.446 HD22 ' C ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -87.29 156.22 19.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.909 0.385 . . . . 61.039999999999999 110.21 176.303 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -110.72 -178.97 3.62 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.728 -0.669 . . . . 74.109999999999999 111.641 -173.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.423 ' H ' ' HD1' ' A' ' 49' ' ' PHE . 11.0 p90 -67.55 -53.23 30.16 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.001 -1.0 . . . . 73.310000000000002 111.414 -175.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -85.99 3.06 43.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.414 0.625 . . . . 72.340000000000003 109.72 -176.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -81.34 -31.06 33.61 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.914 -0.772 . . . . 74.319999999999993 108.914 173.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.614 HD12 ' HG3' ' A' ' 99' ' ' PRO . 0.2 OUTLIER -74.15 85.48 1.86 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.442 -0.799 . . . . 71.439999999999998 109.077 177.282 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.438 ' O ' HD23 ' A' ' 57' ' ' LEU . 6.1 p -133.71 -177.46 4.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.757 -0.656 . . . . 53.219999999999999 111.354 -174.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -52.66 -43.74 65.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.021 -0.536 . . . . 75.409999999999997 110.637 177.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -56.96 -39.05 73.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.84 -0.618 . . . . 64.049999999999997 111.247 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -69.98 -51.83 29.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 74.420000000000002 110.681 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 53' ' ' THR . 4.3 mm? -59.49 -37.01 77.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.961 -0.563 . . . . 74.109999999999999 110.55 -179.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.468 ' O ' HG12 ' A' ' 62' ' ' ILE . 24.6 ttt180 -58.82 -52.71 64.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.489 -0.778 . . . . 74.340000000000003 110.582 178.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -71.08 -42.3 69.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 74.140000000000001 111.489 -176.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.457 ' HD2' HD21 ' A' ' 79' ' ' LEU . 61.3 t80 -64.92 -37.7 88.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.357 -0.383 . . . . 75.120000000000005 110.167 -178.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.5 tp -59.5 -52.8 64.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.883 -0.599 . . . . 73.209999999999994 110.061 175.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 58' ' ' ARG . 46.4 mm -59.03 -44.32 91.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.702 -0.681 . . . . 62.43 111.464 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.513 ' HE1' ' HZ ' ' A' ' 40' ' ' PHE . 45.0 t80 -60.57 -43.49 97.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.31 0.576 . . . . 71.510000000000005 110.467 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.546 ' HG3' HD12 ' A' ' 68' ' ' LEU . 9.2 ttp -69.15 -42.21 76.25 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.464 -0.789 . . . . 72.439999999999998 111.331 -177.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.749 ' HA ' ' O ' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -75.85 -15.79 60.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.459 -0.337 . . . . 71.439999999999998 111.876 -177.061 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -99.15 -63.41 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.071 0.463 . . . . 51.43 111.26 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.3 m -75.66 -43.4 47.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.839 -0.618 . . . . 75.140000000000001 112.082 -172.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.546 HD12 ' HG3' ' A' ' 64' ' ' MET . 66.1 mt -78.41 0.24 26.5 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.943 -0.303 . . . . 73.109999999999999 111.467 -175.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 58.2 m 62.18 28.3 16.99 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.956 -0.565 . . . . 61.009999999999998 112.221 171.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.749 ' O ' ' HA ' ' A' ' 65' ' ' LYS . 37.6 m-80 -121.43 151.36 40.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.834 -0.432 . . . . 53.43 109.834 175.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.26 166.67 21.15 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.744 0.307 . . . . 72.430000000000007 110.909 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -58.47 -35.07 71.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.073 -0.512 . . . . 64.129999999999995 111.184 179.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.8 m -56.49 -38.45 71.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.854 0.359 . . . . 44.219999999999999 110.822 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.7 m -80.42 -43.33 21.14 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.151 0.501 . . . . 61.439999999999998 110.198 177.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.78 -35.86 75.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.498 -0.774 . . . . 65.120000000000005 111.882 -177.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -60.97 -32.96 72.49 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.405 -0.361 . . . . 63.43 111.429 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -68.14 -38.7 82.45 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.237 -0.282 . . . . 74.019999999999996 110.237 176.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.621 HD21 ' HB3' ' A' ' 37' ' ' MET . 0.2 OUTLIER -70.43 -24.49 62.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.356 0.598 . . . . 72.519999999999996 109.891 179.058 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.457 HD21 ' HD2' ' A' ' 60' ' ' TYR . 87.5 mt -81.49 -33.27 32.03 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.168 0.509 . . . . 52.530000000000001 110.307 175.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.8 m -68.37 -23.35 64.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.811 -0.631 . . . . 52.340000000000003 111.907 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.8 p -73.46 -37.12 65.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.013 0.435 . . . . 65.140000000000001 110.277 175.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.36 -32.39 57.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.971 -0.558 . . . . 71.310000000000002 109.713 174.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 87' ' ' SER . 2.2 tmtp? -61.2 -30.78 70.63 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 115.885 -0.598 . . . . 74.439999999999998 110.348 177.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 51.4 mm -65.64 -38.38 82.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 120.863 0.363 . . . . 71.409999999999997 110.171 176.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.496 ' HD1' ' CD2' ' A' ' 13' ' ' PHE . 68.4 t80 -68.84 -49.78 55.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 74.109999999999999 110.185 177.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.622 ' O ' HG13 ' A' ' 90' ' ' ILE . 86.7 t -60.19 -46.1 95.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.578 -0.737 . . . . 73.030000000000001 110.923 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.622 ' HA ' HD12 ' A' ' 90' ' ' ILE . 0.4 OUTLIER -59.75 -39.27 84.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.088 -0.505 . . . . 75.019999999999996 111.743 -179.74 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.87 92.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.279 0.561 . . . . 74.340000000000003 110.144 176.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.583 ' HA ' ' HA3' ' A' ' 93' ' ' GLY . . . -71.08 -21.89 62.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.325 -0.852 . . . . 61.43 111.391 178.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 87' ' ' SER . 97.4 mt -73.51 -41.92 56.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.522 -0.308 . . . . 74.019999999999996 111.127 178.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -72.61 -47.58 46.63 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 120.729 -0.388 . . . . 74.530000000000001 110.774 -175.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -153.64 67.45 0.76 Allowed 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 123.527 0.517 . . . . 72.230000000000004 110.193 177.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.583 ' HA3' ' HA ' ' A' ' 89' ' ' ALA . . . -138.11 -83.98 0.12 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.52 -0.848 . . . . 73.219999999999999 112.538 177.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -169.28 -16.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.046 0.45 . . . . 75.109999999999999 110.715 -173.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 99.3 mmm -82.3 137.98 34.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.926 -0.579 . . . . 70.329999999999998 110.955 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -78.58 -48.94 14.17 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.799 -0.637 . . . . 73.219999999999999 109.344 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -148.56 178.15 8.87 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.622 -0.881 . . . . 63.409999999999997 108.622 175.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.438 ' HB3' HD11 ' A' ' 90' ' ' ILE . 6.3 p-10 -89.82 146.52 35.53 Favored Pre-proline 0 N--CA 1.441 -0.883 0 N-CA-C 110.003 -0.369 . . . . 75.140000000000001 110.003 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.614 ' HG3' HD12 ' A' ' 52' ' ' LEU . 35.8 Cg_endo -65.05 -18.25 61.4 Favored 'Trans proline' 0 N--CA 1.467 -0.085 0 C-N-CA 122.649 2.233 . . . . 74.109999999999999 111.874 177.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.453 ' HZ ' ' HB3' ' A' ' 79' ' ' LEU . 76.1 m-85 -76.4 -18.86 58.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.0 -0.545 . . . . 75.150000000000006 110.673 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.519 ' C ' ' HD2' ' A' ' 101' ' ' LYS . 0.6 OUTLIER -68.64 -36.98 79.31 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 121.739 0.781 . . . . 73.239999999999995 108.997 175.805 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -103.81 6.58 36.75 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.179 -0.919 . . . . 74.25 110.173 -175.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -81.07 79.69 7.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.431 -0.804 . . . . 73.409999999999997 109.862 -177.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 118.62 -85.23 0.39 Allowed Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.2 -0.909 . . . . 61.32 111.456 -179.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.7 tp 53.58 90.66 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.187 0.595 . . . . 71.040000000000006 111.87 177.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -73.27 170.22 15.46 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.867 -0.333 . . . . 61.340000000000003 110.181 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 57.0 t60 61.1 75.31 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.568 0.699 . . . . 62.100000000000001 109.97 -168.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.525 ' O ' ' HB2' ' A' ' 109' ' ' HIS . 6.2 p-80 -141.16 146.24 36.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.484 -0.78 . . . . 72.319999999999993 109.457 176.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.525 ' HB2' ' O ' ' A' ' 108' ' ' HIS . 9.8 m80 72.95 -171.2 0.14 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.773 0.671 . . . . 72.230000000000004 109.767 -174.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 62.53 51.93 3.09 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.09 0.404 . . . . 73.219999999999999 112.09 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -77.06 -36.83 55.65 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.286 -1.005 . . . . 73.349999999999994 108.286 172.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 25.5 p-80 . . . . . 0 C--O 1.241 0.65 0 CA-C-N 114.547 -1.206 . . . . 73.019999999999996 108.524 171.509 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.889 0.376 . . . . 61.340000000000003 110.186 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 67.53 88.03 0.11 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.324 -0.853 . . . . 71.430000000000007 109.861 -172.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.405 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 90.1 m-20 -68.99 143.03 93.99 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.738 -0.664 . . . . 75.010000000000005 110.591 -176.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 3' ' ' ASN . 14.8 Cg_exo -69.09 102.38 0.91 Allowed 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.73 2.286 . . . . 73.120000000000005 110.937 174.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 m 66.76 78.44 0.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.586 -0.734 . . . . 61.229999999999997 110.914 -175.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -84.18 3.78 33.53 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 122.304 1.049 . . . . 73.209999999999994 108.899 174.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -126.45 153.47 45.01 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 113.882 -1.508 . . . . 64.219999999999999 107.865 172.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -22.86 66.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.938 0.399 . . . . 70.400000000000006 111.746 -176.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.7 t -140.3 152.39 45.82 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.19 -0.459 . . . . 50.509999999999998 110.357 175.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.613 ' O ' HG23 ' A' ' 14' ' ' VAL . 92.3 m-85 -65.84 -28.4 68.95 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 109.546 -0.538 . . . . 73.310000000000002 109.546 175.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -56.78 -39.64 74.46 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.917 -0.583 . . . . 72.209999999999994 110.277 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.92 -38.07 79.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.442 -0.799 . . . . 64.349999999999994 110.897 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -70.23 -45.44 66.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.947 -0.57 . . . . 62.140000000000001 110.215 177.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 10' ' ' PHE . 96.0 t -60.28 -46.96 94.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.023 -0.535 . . . . 71.430000000000007 110.778 178.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.535 ' HA ' ' HB3' ' A' ' 18' ' ' MET . . . -56.66 -33.31 66.24 Favored 'General case' 0 C--N 1.332 -0.169 0 O-C-N 123.416 0.448 . . . . 71.219999999999999 111.8 -177.029 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 t -61.23 -46.12 91.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.849 0.357 . . . . 74.430000000000007 110.556 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -77.94 -38.45 45.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.124 0.487 . . . . 52.140000000000001 110.271 176.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.592 ' SD ' ' HE1' ' A' ' 21' ' ' TYR . 52.4 tpp -57.33 -42.61 82.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.296 -0.865 . . . . 71.209999999999994 112.092 -175.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.583 ' HD2' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -62.11 -21.41 64.97 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 111.787 0.291 . . . . 71.540000000000006 111.787 -175.622 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.5 m -58.48 -60.24 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.61 -0.268 . . . . 71.329999999999998 111.171 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.592 ' HE1' ' SD ' ' A' ' 18' ' ' MET . 1.4 p90 -83.08 -26.23 31.27 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 120.771 -0.372 . . . . 75.140000000000001 110.464 -178.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.618 ' HA ' ' HG ' ' A' ' 25' ' ' LEU . 49.3 m -68.84 -18.05 64.1 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.01 0.433 . . . . 74.430000000000007 111.009 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 19' ' ' LYS . 2.5 tmt_? -64.42 -25.34 67.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.888 -0.597 . . . . 72.209999999999994 109.441 176.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -105.77 21.88 16.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.022 -0.535 . . . . 63.299999999999997 110.659 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.618 ' HG ' ' HA ' ' A' ' 22' ' ' SER . 66.5 mt -103.16 165.73 10.85 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 109.673 -0.492 . . . . 62.310000000000002 109.673 175.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -80.76 165.78 21.6 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.001 -0.545 . . . . 73.450000000000003 109.978 172.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.3 mm -59.18 -43.4 89.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.008 -0.542 . . . . 62.210000000000001 110.445 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.31 -35.03 91.01 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.9 -0.667 . . . . 51.240000000000002 112.415 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.55 HG22 HD13 ' A' ' 25' ' ' LEU . 33.9 m -76.02 -46.38 29.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.785 0.326 . . . . 61.43 110.874 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.454 ' CD1' ' HE2' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -57.85 -49.24 77.35 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.945 -0.391 . . . . 54.240000000000002 109.945 176.058 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.629 ' HA ' ' CG ' ' A' ' 34' ' ' LYS . 46.4 ttt180 -67.62 -21.37 65.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.129 -0.487 . . . . 72.329999999999998 111.472 -178.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -59.85 -23.07 63.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.034 -0.53 . . . . 75.150000000000006 111.077 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -132.16 39.84 3.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.202 0.525 . . . . 73.430000000000007 110.698 177.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.629 ' CG ' ' HA ' ' A' ' 31' ' ' ARG . 42.8 mmtt -93.02 -71.02 0.67 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.81 -0.632 . . . . 72.310000000000002 111.181 176.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.3 m -72.0 -20.75 61.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.735 -0.666 . . . . 75.420000000000002 112.129 -171.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.2 m -54.15 -58.45 7.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.799 0.333 . . . . 71.140000000000001 111.444 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 83.8 mtp -67.57 -25.45 65.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.973 0.416 . . . . 43.539999999999999 110.964 -179.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.18 -43.86 73.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.904 -0.589 . . . . 74.209999999999994 111.423 -174.102 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -81.47 -13.25 58.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.451 -0.34 . . . . 74.120000000000005 111.725 -175.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -81.01 4.14 20.68 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.14 0.422 . . . . 72.140000000000001 112.14 -176.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.578 ' HD3' ' C ' ' A' ' 41' ' ' LYS . 10.6 tmtt? -88.66 93.64 9.63 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.566 0.698 . . . . 75.109999999999999 110.032 -178.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -97.72 -64.9 1.0 Allowed 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.895 -1.048 . . . . 75.25 108.641 164.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -138.19 112.3 8.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.544 -0.753 . . . . 74.109999999999999 110.977 178.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.6 p -91.62 79.5 5.45 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.21 -0.663 . . . . 73.310000000000002 109.21 172.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -70.43 178.83 2.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.901 -1.045 . . . . 71.450000000000003 111.073 -172.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -74.48 84.94 0.74 Allowed Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 116.142 -0.481 . . . . 74.219999999999999 112.146 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.577 HD21 ' HB2' ' A' ' 52' ' ' LEU . 9.8 tt -85.45 108.86 18.08 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.431 -0.385 . . . . 70.140000000000001 110.459 178.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.435 ' H ' ' HG3' ' A' ' 51' ' ' GLU . 2.5 mp0 -82.32 176.85 9.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 73.409999999999997 110.563 176.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -58.91 -40.5 84.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.932 -0.576 . . . . 63.439999999999998 111.835 -177.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -90.84 8.81 32.99 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.074 0.464 . . . . 72.239999999999995 110.808 -177.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.435 ' HG3' ' H ' ' A' ' 48' ' ' GLN . 7.8 mm-40 -89.98 -24.87 21.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.399 -0.593 . . . . 74.120000000000005 109.399 174.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.577 ' HB2' HD21 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -88.34 88.47 7.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.697 -0.853 . . . . 64.530000000000001 108.697 175.448 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.459 ' O ' HD23 ' A' ' 57' ' ' LEU . 72.7 p -124.07 177.25 5.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.328 -0.396 . . . . 63.130000000000003 111.239 -175.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.56 -37.14 82.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.976 -0.557 . . . . 73.450000000000003 109.658 173.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -60.89 -44.33 97.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.577 -0.738 . . . . 71.040000000000006 110.149 177.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -59.83 -51.54 69.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.885 -0.598 . . . . 73.430000000000007 110.561 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.547 HD13 HD22 ' A' ' 79' ' ' LEU . 4.2 mm? -58.23 -43.15 87.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.885 0.374 . . . . 72.340000000000003 110.875 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.451 ' O ' HG12 ' A' ' 62' ' ' ILE . 53.8 ttt180 -64.82 -49.86 68.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.723 -0.671 . . . . 73.219999999999999 111.28 -178.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -69.69 -38.69 77.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.305 -0.407 . . . . 72.329999999999998 111.037 -176.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -64.94 -37.2 86.86 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.615 -0.513 . . . . 74.109999999999999 109.615 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.2 tp -61.27 -52.44 64.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.466 -0.788 . . . . 73.340000000000003 110.504 175.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.451 HG12 ' O ' ' A' ' 58' ' ' ARG . 49.5 mm -60.09 -44.37 94.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.776 -0.647 . . . . 74.120000000000005 110.984 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -58.65 -45.13 89.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.041 0.448 . . . . 74.129999999999995 110.638 178.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.736 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 30.5 ttm -65.08 -49.72 68.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.423 0.63 . . . . 74.140000000000001 110.615 -179.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -58.22 -51.05 71.37 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.953 -1.021 . . . . 74.439999999999998 111.045 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -81.45 -64.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.809 0.67 . . . . 73.540000000000006 112.809 -173.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 62.3 m -73.37 -42.7 61.86 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.833 0.309 . . . . 73.310000000000002 111.833 -171.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 64' ' ' MET . 84.3 mt -84.52 -15.43 45.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.744 0.306 . . . . 70.129999999999995 110.558 -179.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 33.0 t 62.34 42.24 9.36 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.525 -0.761 . . . . 73.420000000000002 110.957 178.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.736 ' HB2' ' HG2' ' A' ' 64' ' ' MET . 4.1 m-20 -91.66 147.24 23.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.323 -0.399 . . . . 53.509999999999998 110.08 174.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.74 166.8 22.87 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.093 -0.503 . . . . 60.310000000000002 110.754 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -53.8 -52.98 58.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.079 -0.51 . . . . 63.219999999999999 111.555 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.1 m -65.69 -30.57 71.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.886 0.374 . . . . 74.150000000000006 111.029 -177.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.5 m -69.35 -40.63 77.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.217 0.532 . . . . 74.129999999999995 110.253 178.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.662 ' HA ' ' SD ' ' A' ' 64' ' ' MET . . . -71.01 -42.22 69.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.849 -0.614 . . . . 63.229999999999997 110.701 178.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -57.71 -47.3 82.77 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.723 -0.672 . . . . 52.219999999999999 111.375 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -67.63 -29.32 68.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.648 0.261 . . . . 73.409999999999997 110.961 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -70.71 -49.7 44.17 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 120.967 0.413 . . . . 70.519999999999996 110.161 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.547 HD22 HD13 ' A' ' 57' ' ' LEU . 90.3 mt -62.0 -29.99 70.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.833 -0.621 . . . . 74.209999999999994 110.68 178.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.542 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 75.7 m -55.1 -47.59 74.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.864 -0.607 . . . . 63.049999999999997 111.6 176.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.3 p -61.71 -36.39 80.8 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.144 0.497 . . . . 73.230000000000004 110.903 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.422 HG23 ' HE2' ' A' ' 85' ' ' TYR . 65.1 mt -67.76 -52.65 37.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.679 -0.691 . . . . 62.25 110.515 178.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.542 ' HG3' ' O ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -62.74 -29.27 70.56 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.525 -0.307 . . . . 64.310000000000002 111.218 -178.366 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 80' ' ' SER . 68.3 mt -61.68 -51.18 75.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 121.186 -0.205 . . . . 63.009999999999998 111.073 175.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.422 ' HE2' HG23 ' A' ' 82' ' ' ILE . 1.2 p90 -73.24 -34.83 66.09 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 120.4 -0.52 . . . . 71.209999999999994 110.557 -176.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.619 ' O ' HG13 ' A' ' 90' ' ' ILE . 77.5 t -63.93 -44.73 98.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.811 -0.44 . . . . 74.319999999999993 109.811 175.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.637 ' HA ' HD12 ' A' ' 90' ' ' ILE . 3.2 m -61.62 -37.8 85.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.537 -0.756 . . . . 61.32 111.334 178.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.05 -36.82 84.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.109 0.48 . . . . 43.109999999999999 110.188 175.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.2 -22.22 64.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.58 -0.736 . . . . 64.219999999999999 111.305 177.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.637 HD12 ' HA ' ' A' ' 87' ' ' SER . 69.1 mt -77.94 -30.6 16.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.004 0.43 . . . . 72.099999999999994 110.525 177.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -69.09 -44.51 72.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 64.299999999999997 111.152 -176.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -157.38 60.35 0.5 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.28 0.562 . . . . 61.420000000000002 110.06 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -138.13 -99.33 0.49 Allowed Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.396 -0.907 . . . . 74.530000000000001 112.516 178.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -149.69 -29.86 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.898 0.38 . . . . 73.209999999999994 110.9 -173.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 93.4 mmm -62.45 126.3 26.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.49 . . . . 72.319999999999993 110.709 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -59.06 -51.85 68.29 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.788 0.804 . . . . 72.439999999999998 111.18 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -167.06 158.93 12.69 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.026 -1.443 . . . . 73.140000000000001 108.505 -157.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -81.36 142.16 50.19 Favored Pre-proline 0 N--CA 1.444 -0.747 0 CA-C-O 121.445 0.64 . . . . 52.329999999999998 111.963 -173.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.564 ' HG3' HD12 ' A' ' 52' ' ' LEU . 94.9 Cg_endo -83.68 -2.48 10.4 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 123.42 2.746 . . . . 34.32 110.543 171.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.708 ' HA ' ' HD2' ' A' ' 103' ' ' PHE . 7.4 t80 -94.02 9.1 38.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.307 -1.315 . . . . 74.040000000000006 109.764 -178.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.51 ' HD3' ' HA ' ' A' ' 101' ' ' LYS . 17.3 mmtt -48.16 -51.68 23.98 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 114.779 -1.1 . . . . 71.219999999999999 112.254 -176.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.95 -18.26 37.85 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.283 -0.417 . . . . 74.200000000000003 111.508 -175.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.708 ' HD2' ' HA ' ' A' ' 100' ' ' PHE . 99.2 m-85 -73.43 -28.58 62.06 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.203 -0.665 . . . . 63.439999999999998 109.203 176.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -85.43 -67.19 1.4 Allowed Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 110.515 -1.034 . . . . 65.219999999999999 110.515 170.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.4 tt 55.2 95.47 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.872 0.869 . . . . 75.349999999999994 112.07 174.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -98.21 126.03 43.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.228 -0.442 . . . . 73.530000000000001 110.812 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -91.22 116.11 28.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.989 -0.55 . . . . 73.439999999999998 109.733 174.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -76.16 162.46 27.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.83 -0.623 . . . . 64.209999999999994 110.879 -175.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -110.27 121.75 46.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.018 -0.537 . . . . 74.129999999999995 109.592 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -68.36 133.19 48.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.02 0.438 . . . . 70.420000000000002 110.849 -176.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -78.17 -51.45 10.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.695 -0.684 . . . . 74.299999999999997 109.227 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 . . . . . 0 C--O 1.248 0.982 0 CA-C-N 115.505 -0.771 . . . . 75.239999999999995 108.935 175.761 . . . . . . . . 0 0 . 1 stop_ save_